*HEADER    TRANSFERASE                             06-AUG-07   2JTR              
*TITLE     RHODANESE PERSULFIDE FROM E. COLI                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PHAGE SHOCK PROTEIN E;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 EC: E.C. 2.8.1.1;                                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 GENE: PSPE;                                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
*KEYWDS    SOLUTION STRUCTURE RHODANESE PERSULFIDE, STRESS RESPONSE,             
*KEYWDS   2 TRANSFERASE                                                          
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    C.JIN, H.LI                                                           
*REVDAT   1   17-JUN-08 2JTR    0                                                


# 1324 atoms read from pdb file PspE_s_amber.pdb.
# 2 GLU PHI:  (1 ALA C)-(2 GLU N)-(2 GLU CA)-(2 GLU C) -143.0 -83.0
 &rst     iat =    11,    13,    15,    26,
   r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
   rk2 =   10.0, rk3 =   10.0,    &end

# 2 GLU PSI:  (2 GLU N)-(2 GLU CA)-(2 GLU C)-(3 HIS N) 115.0 175.0
 &rst     iat =    13,    15,    26,    28,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 3 HIS PHI:  (2 GLU C)-(3 HIS N)-(3 HIS CA)-(3 HIS C) -151.1 -91.0
 &rst     iat =    26,    28,    30,    43,
   r1 = -152.1, r2 = -151.1, r3 = -91.0, r4 = -90.0,
 &end

# 3 HIS PSI:  (3 HIS N)-(3 HIS CA)-(3 HIS C)-(4 TRP N)  97.3 157.3
 &rst     iat =    28,    30,    43,    45,
   r1 =  96.3, r2 =  97.3, r3 = 157.3, r4 = 158.3,
 &end

# 4 TRP PHI:  (3 HIS C)-(4 TRP N)-(4 TRP CA)-(4 TRP C) -133.9 -73.9
 &rst     iat =    43,    45,    47,    67,
   r1 = -134.9, r2 = -133.9, r3 = -73.9, r4 = -72.9,
 &end

# 4 TRP PSI:  (4 TRP N)-(4 TRP CA)-(4 TRP C)-(5 ILE N) 101.1 161.1
 &rst     iat =    45,    47,    67,    69,
   r1 = 100.1, r2 = 101.1, r3 = 161.1, r4 = 162.1,
 &end

# 6 ASP PHI:  (5 ILE C)-(6 ASP N)-(6 ASP CA)-(6 ASP C) -128.4 -68.4
 &rst     iat =    86,    88,    90,    98,
   r1 = -129.4, r2 = -128.4, r3 = -68.4, r4 = -67.4,
 &end

# 6 ASP PSI:  (6 ASP N)-(6 ASP CA)-(6 ASP C)-(7 VAL N) 109.2 169.2
 &rst     iat =    88,    90,    98,   100,
   r1 = 108.2, r2 = 109.2, r3 = 169.2, r4 = 170.2,
 &end

# 11 GLU PHI:  (10 PRO C)-(11 GLU N)-(11 GLU CA)-(11 GLU C) -95.8 -35.8
 &rst     iat =   168,   170,   172,   183,
   r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8,
 &end

# 11 GLU PSI:  (11 GLU N)-(11 GLU CA)-(11 GLU C)-(12 GLN N) -70.9 -10.9
 &rst     iat =   170,   172,   183,   185,
   r1 = -71.9, r2 = -70.9, r3 = -10.9, r4 =  -9.9,
 &end

# 12 GLN PHI:  (11 GLU C)-(12 GLN N)-(12 GLN CA)-(12 GLN C) -95.1 -35.1
 &rst     iat =   183,   185,   187,   200,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end

# 12 GLN PSI:  (12 GLN N)-(12 GLN CA)-(12 GLN C)-(13 TYR N) -71.2 -11.2
 &rst     iat =   185,   187,   200,   202,
   r1 = -72.2, r2 = -71.2, r3 = -11.2, r4 = -10.2,
 &end

# 13 TYR PHI:  (12 GLN C)-(13 TYR N)-(13 TYR CA)-(13 TYR C) -94.2 -34.2
 &rst     iat =   200,   202,   204,   221,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end

# 13 TYR PSI:  (13 TYR N)-(13 TYR CA)-(13 TYR C)-(14 GLN N) -70.8 -10.9
 &rst     iat =   202,   204,   221,   223,
   r1 = -71.8, r2 = -70.8, r3 = -10.9, r4 =  -9.9,
 &end

# 23 ASN PHI:  (22 ILE C)-(23 ASN N)-(23 ASN CA)-(23 ASN C) -131.0 -71.0
 &rst     iat =   356,   358,   360,   370,
   r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0,
 &end

# 23 ASN PSI:  (23 ASN N)-(23 ASN CA)-(23 ASN C)-(24 ILE N)  89.8 149.8
 &rst     iat =   358,   360,   370,   372,
   r1 =  88.8, r2 =  89.8, r3 = 149.8, r4 = 150.8,
 &end

# 26 LEU PHI:  (25 PRO C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -98.9 -38.9
 &rst     iat =   403,   405,   407,   422,
   r1 = -99.9, r2 = -98.9, r3 = -38.9, r4 = -37.9,
 &end

# 26 LEU PSI:  (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 LYS N) -64.7  -4.6
 &rst     iat =   405,   407,   422,   424,
   r1 = -65.7, r2 = -64.7, r3 =  -4.6, r4 =  -3.6,
 &end

# 27 LYS PHI:  (26 LEU C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -113.6 -53.6
 &rst     iat =   422,   424,   426,   444,
   r1 = -114.6, r2 = -113.6, r3 = -53.6, r4 = -52.6,
 &end

# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 GLU N) -48.3  11.7
 &rst     iat =   424,   426,   444,   446,
   r1 = -49.3, r2 = -48.3, r3 =  11.7, r4 =  12.7,
 &end

# 29 VAL PHI:  (28 GLU C)-(29 VAL N)-(29 VAL CA)-(29 VAL C) -92.6 -32.6
 &rst     iat =   459,   461,   463,   475,
   r1 = -93.6, r2 = -92.6, r3 = -32.6, r4 = -31.6,
 &end

# 29 VAL PSI:  (29 VAL N)-(29 VAL CA)-(29 VAL C)-(30 LYS N) -72.0 -12.0
 &rst     iat =   461,   463,   475,   477,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 30 LYS PHI:  (29 VAL C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -92.9 -32.9
 &rst     iat =   475,   477,   479,   497,
   r1 = -93.9, r2 = -92.9, r3 = -32.9, r4 = -31.9,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 GLU N) -66.5  -6.5
 &rst     iat =   477,   479,   497,   499,
   r1 = -67.5, r2 = -66.5, r3 =  -6.5, r4 =  -5.5,
 &end

# 31 GLU PHI:  (30 LYS C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -99.3 -39.3
 &rst     iat =   497,   499,   501,   512,
   r1 = -100.3, r2 = -99.3, r3 = -39.3, r4 = -38.3,
 &end

# 31 GLU PSI:  (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 ARG N) -57.5   2.5
 &rst     iat =   499,   501,   512,   514,
   r1 = -58.5, r2 = -57.5, r3 =   2.5, r4 =   3.5,
 &end

# 43 THR PHI:  (42 ASP C)-(43 THR N)-(43 THR CA)-(43 THR C) -127.8 -67.8
 &rst     iat =   679,   681,   683,   693,
   r1 = -128.8, r2 = -127.8, r3 = -67.8, r4 = -66.8,
 &end

# 43 THR PSI:  (43 THR N)-(43 THR CA)-(43 THR C)-(44 VAL N) 104.0 164.0
 &rst     iat =   681,   683,   693,   695,
   r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0,
 &end

# 44 VAL PHI:  (43 THR C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -146.7 -86.7
 &rst     iat =   693,   695,   697,   709,
   r1 = -147.7, r2 = -146.7, r3 = -86.7, r4 = -85.7,
 &end

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 LYS N) 101.0 161.0
 &rst     iat =   695,   697,   709,   711,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end

# 45 LYS PHI:  (44 VAL C)-(45 LYS N)-(45 LYS CA)-(45 LYS C) -120.3 -60.3
 &rst     iat =   709,   711,   713,   731,
   r1 = -121.3, r2 = -120.3, r3 = -60.3, r4 = -59.3,
 &end

# 45 LYS PSI:  (45 LYS N)-(45 LYS CA)-(45 LYS C)-(46 VAL N)  98.5 158.5
 &rst     iat =   711,   713,   731,   733,
   r1 =  97.5, r2 =  98.5, r3 = 158.5, r4 = 159.5,
 &end

# 46 VAL PHI:  (45 LYS C)-(46 VAL N)-(46 VAL CA)-(46 VAL C) -153.5 -93.5
 &rst     iat =   731,   733,   735,   747,
   r1 = -154.5, r2 = -153.5, r3 = -93.5, r4 = -92.5,
 &end

# 46 VAL PSI:  (46 VAL N)-(46 VAL CA)-(46 VAL C)-(47 TYR N) 119.4 179.4
 &rst     iat =   733,   735,   747,   749,
   r1 = 118.4, r2 = 119.4, r3 = 179.4, r4 = 180.4,
 &end

# 47 TYR PHI:  (46 VAL C)-(47 TYR N)-(47 TYR CA)-(47 TYR C) -161.2 -101.2
 &rst     iat =   747,   749,   751,   768,
   r1 = -162.2, r2 = -161.2, r3 = -101.2, r4 = -100.2,
 &end

# 47 TYR PSI:  (47 TYR N)-(47 TYR CA)-(47 TYR C)-(48 CYS N) 114.0 174.0
 &rst     iat =   749,   751,   768,   770,
   r1 = 113.0, r2 = 114.0, r3 = 174.0, r4 = 175.0,
 &end

# 52 ARG PHI:  (51 GLY C)-(52 ARG N)-(52 ARG CA)-(52 ARG C) -96.8 -36.8
 &rst     iat =   810,   812,   814,   834,
   r1 = -97.8, r2 = -96.8, r3 = -36.8, r4 = -35.8,
 &end

# 52 ARG PSI:  (52 ARG N)-(52 ARG CA)-(52 ARG C)-(53 GLN N) -66.4  -6.4
 &rst     iat =   812,   814,   834,   836,
   r1 = -67.4, r2 = -66.4, r3 =  -6.4, r4 =  -5.4,
 &end

# 53 GLN PHI:  (52 ARG C)-(53 GLN N)-(53 GLN CA)-(53 GLN C) -94.7 -34.7
 &rst     iat =   834,   836,   838,   851,
   r1 = -95.7, r2 = -94.7, r3 = -34.7, r4 = -33.7,
 &end

# 53 GLN PSI:  (53 GLN N)-(53 GLN CA)-(53 GLN C)-(54 SER N) -68.0  -8.0
 &rst     iat =   836,   838,   851,   853,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end

# 54 SER PHI:  (53 GLN C)-(54 SER N)-(54 SER CA)-(54 SER C) -91.9 -31.9
 &rst     iat =   851,   853,   855,   862,
   r1 = -92.9, r2 = -91.9, r3 = -31.9, r4 = -30.9,
 &end

# 54 SER PSI:  (54 SER N)-(54 SER CA)-(54 SER C)-(55 GLY N) -74.2 -14.2
 &rst     iat =   853,   855,   862,   864,
   r1 = -75.2, r2 = -74.2, r3 = -14.2, r4 = -13.2,
 &end

# 55 GLY PHI:  (54 SER C)-(55 GLY N)-(55 GLY CA)-(55 GLY C) -96.5 -36.5
 &rst     iat =   862,   864,   866,   869,
   r1 = -97.5, r2 = -96.5, r3 = -36.5, r4 = -35.5,
 &end

# 55 GLY PSI:  (55 GLY N)-(55 GLY CA)-(55 GLY C)-(56 GLN N) -73.6 -13.6
 &rst     iat =   864,   866,   869,   871,
   r1 = -74.6, r2 = -73.6, r3 = -13.6, r4 = -12.6,
 &end

# 56 GLN PHI:  (55 GLY C)-(56 GLN N)-(56 GLN CA)-(56 GLN C) -94.5 -34.5
 &rst     iat =   869,   871,   873,   886,
   r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5,
 &end

# 56 GLN PSI:  (56 GLN N)-(56 GLN CA)-(56 GLN C)-(57 ALA N) -71.1 -11.1
 &rst     iat =   871,   873,   886,   888,
   r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
 &end

# 57 ALA PHI:  (56 GLN C)-(57 ALA N)-(57 ALA CA)-(57 ALA C) -96.0 -36.0
 &rst     iat =   886,   888,   890,   896,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 57 ALA PSI:  (57 ALA N)-(57 ALA CA)-(57 ALA C)-(58 LYS N) -66.3  -6.4
 &rst     iat =   888,   890,   896,   898,
   r1 = -67.3, r2 = -66.3, r3 =  -6.4, r4 =  -5.4,
 &end

# 58 LYS PHI:  (57 ALA C)-(58 LYS N)-(58 LYS CA)-(58 LYS C) -93.3 -33.3
 &rst     iat =   896,   898,   900,   918,
   r1 = -94.3, r2 = -93.3, r3 = -33.3, r4 = -32.3,
 &end

# 58 LYS PSI:  (58 LYS N)-(58 LYS CA)-(58 LYS C)-(59 GLU N) -72.5 -12.5
 &rst     iat =   898,   900,   918,   920,
   r1 = -73.5, r2 = -72.5, r3 = -12.5, r4 = -11.5,
 &end

# 59 GLU PHI:  (58 LYS C)-(59 GLU N)-(59 GLU CA)-(59 GLU C) -94.2 -34.2
 &rst     iat =   918,   920,   922,   933,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end

# 59 GLU PSI:  (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 ILE N) -71.0 -11.0
 &rst     iat =   920,   922,   933,   935,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 60 ILE PHI:  (59 GLU C)-(60 ILE N)-(60 ILE CA)-(60 ILE C) -94.3 -34.3
 &rst     iat =   933,   935,   937,   952,
   r1 = -95.3, r2 = -94.3, r3 = -34.3, r4 = -33.3,
 &end

# 60 ILE PSI:  (60 ILE N)-(60 ILE CA)-(60 ILE C)-(61 LEU N) -71.0 -11.0
 &rst     iat =   935,   937,   952,   954,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 61 LEU PHI:  (60 ILE C)-(61 LEU N)-(61 LEU CA)-(61 LEU C) -95.4 -35.4
 &rst     iat =   952,   954,   956,   971,
   r1 = -96.4, r2 = -95.4, r3 = -35.4, r4 = -34.4,
 &end

# 61 LEU PSI:  (61 LEU N)-(61 LEU CA)-(61 LEU C)-(62 SER N) -70.6 -10.6
 &rst     iat =   954,   956,   971,   973,
   r1 = -71.6, r2 = -70.6, r3 = -10.6, r4 =  -9.6,
 &end

# 62 SER PHI:  (61 LEU C)-(62 SER N)-(62 SER CA)-(62 SER C) -95.1 -35.1
 &rst     iat =   971,   973,   975,   982,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end

# 62 SER PSI:  (62 SER N)-(62 SER CA)-(62 SER C)-(63 GLU N) -66.8  -6.8
 &rst     iat =   973,   975,   982,   984,
   r1 = -67.8, r2 = -66.8, r3 =  -6.8, r4 =  -5.8,
 &end

# 63 GLU PHI:  (62 SER C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -95.8 -35.8
 &rst     iat =   982,   984,   986,   997,
   r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8,
 &end

# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 MET N) -60.2  -0.2
 &rst     iat =   984,   986,   997,   999,
   r1 = -61.2, r2 = -60.2, r3 =  -0.2, r4 =   0.8,
 &end

# 69 VAL PHI:  (68 HIS C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -137.9 -78.0
 &rst     iat =  1073,  1075,  1077,  1089,
   r1 = -138.9, r2 = -137.9, r3 = -78.0, r4 = -77.0,
 &end

# 69 VAL PSI:  (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 GLU N) 115.5 175.5
 &rst     iat =  1075,  1077,  1089,  1091,
   r1 = 114.5, r2 = 115.5, r3 = 175.5, r4 = 176.5,
 &end

# 71 ASN PHI:  (70 GLU C)-(71 ASN N)-(71 ASN CA)-(71 ASN C) -118.0 -58.0
 &rst     iat =  1104,  1106,  1108,  1118,
   r1 = -119.0, r2 = -118.0, r3 = -58.0, r4 = -57.0,
 &end

# 71 ASN PSI:  (71 ASN N)-(71 ASN CA)-(71 ASN C)-(72 ALA N)  88.5 148.5
 &rst     iat =  1106,  1108,  1118,  1120,
   r1 =  87.5, r2 =  88.5, r3 = 148.5, r4 = 149.5,
 &end

# 83 VAL PHI:  (82 LYS C)-(83 VAL N)-(83 VAL CA)-(83 VAL C) -146.6 -86.6
 &rst     iat =  1277,  1279,  1281,  1293,
   r1 = -147.6, r2 = -146.6, r3 = -86.6, r4 = -85.6,
 &end

# 83 VAL PSI:  (83 VAL N)-(83 VAL CA)-(83 VAL C)-(84 LYS N) 105.6 165.6
 &rst     iat =  1279,  1281,  1293,  1295,
   r1 = 104.6, r2 = 105.6, r3 = 165.6, r4 = 166.6,
 &end

# 84 LYS PHI:  (83 VAL C)-(84 LYS N)-(84 LYS CA)-(84 LYS C) -137.7 -77.7
 &rst     iat =  1293,  1295,  1297,  1315,
   r1 = -138.7, r2 = -137.7, r3 = -77.7, r4 = -76.7,
 &end

# 84 LYS PSI:  (84 LYS N)-(84 LYS CA)-(84 LYS C)-(85 GLY N)  81.3 141.3
 &rst     iat =  1295,  1297,  1315,  1317,
   r1 =  80.3, r2 =  81.3, r3 = 141.3, r4 = 142.3,
 &end

#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 40., rk3=40.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=15,20,18,19, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=17,23,21,22, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=13,26,16,17, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=30,35,33,34, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=28,43,31,32, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=47,52,50,51, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=45,67,48,49, &end
#
#  chirality for residue 5 atoms:  CA CG2 CG1 HB
 &rst iat=71,75,79,74, &end
#
#  chirality for residue 5 atoms:  CB CD1 HG12 HG13
 &rst iat=73,82,80,81, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=69,86,72,73, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=90,95,93,94, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=88,98,91,92, &end
#
#  chirality for residue 7 atoms:  CA CG1 CG2 HB
 &rst iat=102,106,110,105, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=100,114,103,104, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=118,123,121,122, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=120,126,124,125, &end
#
#  chirality for residue 8 atoms:  CG NE HD2 HD3
 &rst iat=123,129,127,128, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=116,138,119,120, &end
#
#  chirality for residue 9 atoms:  CA CG1 CG2 HB
 &rst iat=142,146,150,145, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=140,154,143,144, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=166,160,164,165, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=163,157,161,162, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=160,156,158,159, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=156,168,167,163, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=172,177,175,176, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=174,180,178,179, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=170,183,173,174, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=187,192,190,191, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=189,195,193,194, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=185,200,188,189, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=204,209,207,208, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=202,221,205,206, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=225,230,228,229, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=227,233,231,232, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=223,238,226,227, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=244,250,248,249, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=240,255,243,244, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=259,264,262,263, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=261,267,265,266, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=257,270,260,261, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=274,279,277,278, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=272,287,275,276, &end
#
#  chirality for residue 18 atoms:  CA CG1 CG2 HB
 &rst iat=291,295,299,294, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=289,303,292,293, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=307,312,310,311, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=309,315,313,314, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=305,320,308,309, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=322,327,325,326, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=329,337,332,333, &end
#
#  chirality for residue 22 atoms:  CA CG2 CG1 HB
 &rst iat=341,345,349,344, &end
#
#  chirality for residue 22 atoms:  CB CD1 HG12 HG13
 &rst iat=343,352,350,351, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=339,356,342,343, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=360,365,363,364, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=358,370,361,362, &end
#
#  chirality for residue 24 atoms:  CA CG2 CG1 HB
 &rst iat=374,378,382,377, &end
#
#  chirality for residue 24 atoms:  CB CD1 HG12 HG13
 &rst iat=376,385,383,384, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=372,389,375,376, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=401,395,399,400, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=398,392,396,397, &end
#
#  chirality for residue 25 atoms:  CG N HD2 HD3
 &rst iat=395,391,393,394, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=391,403,402,398, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=407,412,410,411, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=409,414,418,413, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=405,422,408,409, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=426,431,429,430, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=428,434,432,433, &end
#
#  chirality for residue 27 atoms:  CD NZ HE2 HE3
 &rst iat=434,440,438,439, &end
#
#  chirality for residue 27 atoms:  CG CE HD2 HD3
 &rst iat=431,437,435,436, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=424,444,427,428, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=448,453,451,452, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=450,456,454,455, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=446,459,449,450, &end
#
#  chirality for residue 29 atoms:  CA CG1 CG2 HB
 &rst iat=463,467,471,466, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=461,475,464,465, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=479,484,482,483, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=481,487,485,486, &end
#
#  chirality for residue 30 atoms:  CD NZ HE2 HE3
 &rst iat=487,493,491,492, &end
#
#  chirality for residue 30 atoms:  CG CE HD2 HD3
 &rst iat=484,490,488,489, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=477,497,480,481, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=501,506,504,505, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=503,509,507,508, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=499,512,502,503, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=516,521,519,520, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=518,524,522,523, &end
#
#  chirality for residue 32 atoms:  CG NE HD2 HD3
 &rst iat=521,527,525,526, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=514,536,517,518, &end
#
#  chirality for residue 33 atoms:  CA CG2 CG1 HB
 &rst iat=540,544,548,543, &end
#
#  chirality for residue 33 atoms:  CB CD1 HG12 HG13
 &rst iat=542,551,549,550, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=538,555,541,542, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=557,565,560,561, &end
#
#  chirality for residue 35 atoms:  CA CG2 OG1 HB
 &rst iat=569,573,577,572, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=567,579,570,571, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=581,589,584,585, &end
#
#  chirality for residue 37 atoms:  CA CG1 CG2 HB
 &rst iat=593,597,601,596, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=591,605,594,595, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=617,611,615,616, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=614,608,612,613, &end
#
#  chirality for residue 38 atoms:  CG N HD2 HD3
 &rst iat=611,607,609,610, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=607,619,618,614, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=623,628,626,627, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=621,631,624,625, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=635,640,638,639, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=637,643,641,642, &end
#
#  chirality for residue 40 atoms:  CD NZ HE2 HE3
 &rst iat=643,649,647,648, &end
#
#  chirality for residue 40 atoms:  CG CE HD2 HD3
 &rst iat=640,646,644,645, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=633,653,636,637, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=657,662,660,661, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=655,667,658,659, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=671,676,674,675, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=669,679,672,673, &end
#
#  chirality for residue 43 atoms:  CA CG2 OG1 HB
 &rst iat=683,687,691,686, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=681,693,684,685, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=697,701,705,700, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=695,709,698,699, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=713,718,716,717, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=715,721,719,720, &end
#
#  chirality for residue 45 atoms:  CD NZ HE2 HE3
 &rst iat=721,727,725,726, &end
#
#  chirality for residue 45 atoms:  CG CE HD2 HD3
 &rst iat=718,724,722,723, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=711,731,714,715, &end
#
#  chirality for residue 46 atoms:  CA CG1 CG2 HB
 &rst iat=735,739,743,738, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=733,747,736,737, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=751,756,754,755, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=749,768,752,753, &end
#
#  chirality for residue 48 atoms:  CA SG HB2 HB3
 &rst iat=772,777,775,776, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=770,779,773,774, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=783,788,786,787, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=781,793,784,785, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=795,803,798,799, &end
#
#  chirality for residue 51 atoms:  N C HA2 HA3
 &rst iat=805,810,808,809, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=814,819,817,818, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=816,822,820,821, &end
#
#  chirality for residue 52 atoms:  CG NE HD2 HD3
 &rst iat=819,825,823,824, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=812,834,815,816, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=838,843,841,842, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=840,846,844,845, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=836,851,839,840, &end
#
#  chirality for residue 54 atoms:  CA OG HB2 HB3
 &rst iat=855,860,858,859, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=853,862,856,857, &end
#
#  chirality for residue 55 atoms:  N C HA2 HA3
 &rst iat=864,869,867,868, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=873,878,876,877, &end
#
#  chirality for residue 56 atoms:  CB CD HG2 HG3
 &rst iat=875,881,879,880, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=871,886,874,875, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=888,896,891,892, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=900,905,903,904, &end
#
#  chirality for residue 58 atoms:  CB CD HG2 HG3
 &rst iat=902,908,906,907, &end
#
#  chirality for residue 58 atoms:  CD NZ HE2 HE3
 &rst iat=908,914,912,913, &end
#
#  chirality for residue 58 atoms:  CG CE HD2 HD3
 &rst iat=905,911,909,910, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=898,918,901,902, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=922,927,925,926, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=924,930,928,929, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=920,933,923,924, &end
#
#  chirality for residue 60 atoms:  CA CG2 CG1 HB
 &rst iat=937,941,945,940, &end
#
#  chirality for residue 60 atoms:  CB CD1 HG12 HG13
 &rst iat=939,948,946,947, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=935,952,938,939, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=956,961,959,960, &end
#
#  chirality for residue 61 atoms:  CB CD1 CD2 HG
 &rst iat=958,963,967,962, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=954,971,957,958, &end
#
#  chirality for residue 62 atoms:  CA OG HB2 HB3
 &rst iat=975,980,978,979, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=973,982,976,977, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=986,991,989,990, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=988,994,992,993, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=984,997,987,988, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1001,1006,1004,1005, &end
#
#  chirality for residue 64 atoms:  CB SD HG2 HG3
 &rst iat=1003,1009,1007,1008, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=999,1014,1002,1003, &end
#
#  chirality for residue 65 atoms:  N C HA2 HA3
 &rst iat=1016,1021,1019,1020, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1025,1030,1028,1029, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1023,1042,1026,1027, &end
#
#  chirality for residue 67 atoms:  CA CG2 OG1 HB
 &rst iat=1046,1050,1054,1049, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1044,1056,1047,1048, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1060,1065,1063,1064, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1058,1073,1061,1062, &end
#
#  chirality for residue 69 atoms:  CA CG1 CG2 HB
 &rst iat=1077,1081,1085,1080, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1075,1089,1078,1079, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1093,1098,1096,1097, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1095,1101,1099,1100, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1091,1104,1094,1095, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1108,1113,1111,1112, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1106,1118,1109,1110, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1120,1128,1123,1124, &end
#
#  chirality for residue 73 atoms:  N C HA2 HA3
 &rst iat=1130,1135,1133,1134, &end
#
#  chirality for residue 74 atoms:  N C HA2 HA3
 &rst iat=1137,1142,1140,1141, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1146,1151,1149,1150, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1148,1153,1157,1152, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1144,1161,1147,1148, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1165,1170,1168,1169, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1167,1173,1171,1172, &end
#
#  chirality for residue 76 atoms:  CD NZ HE2 HE3
 &rst iat=1173,1179,1177,1178, &end
#
#  chirality for residue 76 atoms:  CG CE HD2 HD3
 &rst iat=1170,1176,1174,1175, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1163,1183,1166,1167, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1187,1192,1190,1191, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1185,1195,1188,1189, &end
#
#  chirality for residue 78 atoms:  CA CG2 CG1 HB
 &rst iat=1199,1203,1207,1202, &end
#
#  chirality for residue 78 atoms:  CB CD1 HG12 HG13
 &rst iat=1201,1210,1208,1209, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1197,1214,1200,1201, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1216,1224,1219,1220, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1228,1233,1231,1232, &end
#
#  chirality for residue 80 atoms:  CB SD HG2 HG3
 &rst iat=1230,1236,1234,1235, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1226,1241,1229,1230, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1253,1247,1251,1252, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1250,1244,1248,1249, &end
#
#  chirality for residue 81 atoms:  CG N HD2 HD3
 &rst iat=1247,1243,1245,1246, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1243,1255,1254,1250, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1259,1264,1262,1263, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1261,1267,1265,1266, &end
#
#  chirality for residue 82 atoms:  CD NZ HE2 HE3
 &rst iat=1267,1273,1271,1272, &end
#
#  chirality for residue 82 atoms:  CG CE HD2 HD3
 &rst iat=1264,1270,1268,1269, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1257,1277,1260,1261, &end
#
#  chirality for residue 83 atoms:  CA CG1 CG2 HB
 &rst iat=1281,1285,1289,1284, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1279,1293,1282,1283, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1297,1302,1300,1301, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1299,1305,1303,1304, &end
#
#  chirality for residue 84 atoms:  CD NZ HE2 HE3
 &rst iat=1305,1311,1309,1310, &end
#
#  chirality for residue 84 atoms:  CG CE HD2 HD3
 &rst iat=1302,1308,1306,1307, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1295,1315,1298,1299, &end
#
#  chirality for residue 85 atoms:  N C HA2 HA3
 &rst iat=1317,1322,1320,1321, &end
#
#  trans-omega constraint for residue 2
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 40., rk3=40.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=30,28,26,15, &end
#
#  trans-omega constraint for residue 4
 &rst iat=47,45,43,30, &end
#
#  trans-omega constraint for residue 5
 &rst iat=71,69,67,47, &end
#
#  trans-omega constraint for residue 6
 &rst iat=90,88,86,71, &end
#
#  trans-omega constraint for residue 7
 &rst iat=102,100,98,90, &end
#
#  trans-omega constraint for residue 8
 &rst iat=118,116,114,102, &end
#
#  trans-omega constraint for residue 9
 &rst iat=142,140,138,118, &end
#
#  trans-omega constraint for residue 10
 &rst iat=166,156,154,142, &end
#
#  trans-omega constraint for residue 11
 &rst iat=172,170,168,166, &end
#
#  trans-omega constraint for residue 12
 &rst iat=187,185,183,172, &end
#
#  trans-omega constraint for residue 13
 &rst iat=204,202,200,187, &end
#
#  trans-omega constraint for residue 14
 &rst iat=225,223,221,204, &end
#
#  trans-omega constraint for residue 15
 &rst iat=242,240,238,225, &end
#
#  trans-omega constraint for residue 16
 &rst iat=259,257,255,242, &end
#
#  trans-omega constraint for residue 17
 &rst iat=274,272,270,259, &end
#
#  trans-omega constraint for residue 18
 &rst iat=291,289,287,274, &end
#
#  trans-omega constraint for residue 19
 &rst iat=307,305,303,291, &end
#
#  trans-omega constraint for residue 20
 &rst iat=324,322,320,307, &end
#
#  trans-omega constraint for residue 21
 &rst iat=331,329,327,324, &end
#
#  trans-omega constraint for residue 22
 &rst iat=341,339,337,331, &end
#
#  trans-omega constraint for residue 23
 &rst iat=360,358,356,341, &end
#
#  trans-omega constraint for residue 24
 &rst iat=374,372,370,360, &end
#
#  trans-omega constraint for residue 25
 &rst iat=401,391,389,374, &end
#
#  trans-omega constraint for residue 26
 &rst iat=407,405,403,401, &end
#
#  trans-omega constraint for residue 27
 &rst iat=426,424,422,407, &end
#
#  trans-omega constraint for residue 28
 &rst iat=448,446,444,426, &end
#
#  trans-omega constraint for residue 29
 &rst iat=463,461,459,448, &end
#
#  trans-omega constraint for residue 30
 &rst iat=479,477,475,463, &end
#
#  trans-omega constraint for residue 31
 &rst iat=501,499,497,479, &end
#
#  trans-omega constraint for residue 32
 &rst iat=516,514,512,501, &end
#
#  trans-omega constraint for residue 33
 &rst iat=540,538,536,516, &end
#
#  trans-omega constraint for residue 34
 &rst iat=559,557,555,540, &end
#
#  trans-omega constraint for residue 35
 &rst iat=569,567,565,559, &end
#
#  trans-omega constraint for residue 36
 &rst iat=583,581,579,569, &end
#
#  trans-omega constraint for residue 37
 &rst iat=593,591,589,583, &end
#
#  trans-omega constraint for residue 38
 &rst iat=617,607,605,593, &end
#
#  trans-omega constraint for residue 39
 &rst iat=623,621,619,617, &end
#
#  trans-omega constraint for residue 40
 &rst iat=635,633,631,623, &end
#
#  trans-omega constraint for residue 41
 &rst iat=657,655,653,635, &end
#
#  trans-omega constraint for residue 42
 &rst iat=671,669,667,657, &end
#
#  trans-omega constraint for residue 43
 &rst iat=683,681,679,671, &end
#
#  trans-omega constraint for residue 44
 &rst iat=697,695,693,683, &end
#
#  trans-omega constraint for residue 45
 &rst iat=713,711,709,697, &end
#
#  trans-omega constraint for residue 46
 &rst iat=735,733,731,713, &end
#
#  trans-omega constraint for residue 47
 &rst iat=751,749,747,735, &end
#
#  trans-omega constraint for residue 48
 &rst iat=772,770,768,751, &end
#
#  trans-omega constraint for residue 49
 &rst iat=783,781,779,772, &end
#
#  trans-omega constraint for residue 50
 &rst iat=797,795,793,783, &end
#
#  trans-omega constraint for residue 51
 &rst iat=807,805,803,797, &end
#
#  trans-omega constraint for residue 52
 &rst iat=814,812,810,807, &end
#
#  trans-omega constraint for residue 53
 &rst iat=838,836,834,814, &end
#
#  trans-omega constraint for residue 54
 &rst iat=855,853,851,838, &end
#
#  trans-omega constraint for residue 55
 &rst iat=866,864,862,855, &end
#
#  trans-omega constraint for residue 56
 &rst iat=873,871,869,866, &end
#
#  trans-omega constraint for residue 57
 &rst iat=890,888,886,873, &end
#
#  trans-omega constraint for residue 58
 &rst iat=900,898,896,890, &end
#
#  trans-omega constraint for residue 59
 &rst iat=922,920,918,900, &end
#
#  trans-omega constraint for residue 60
 &rst iat=937,935,933,922, &end
#
#  trans-omega constraint for residue 61
 &rst iat=956,954,952,937, &end
#
#  trans-omega constraint for residue 62
 &rst iat=975,973,971,956, &end
#
#  trans-omega constraint for residue 63
 &rst iat=986,984,982,975, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1001,999,997,986, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1018,1016,1014,1001, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1025,1023,1021,1018, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1046,1044,1042,1025, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1060,1058,1056,1046, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1077,1075,1073,1060, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1093,1091,1089,1077, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1108,1106,1104,1093, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1122,1120,1118,1108, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1132,1130,1128,1122, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1139,1137,1135,1132, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1146,1144,1142,1139, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1165,1163,1161,1146, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1187,1185,1183,1165, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1199,1197,1195,1187, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1218,1216,1214,1199, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1228,1226,1224,1218, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1253,1243,1241,1228, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1259,1257,1255,1253, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1281,1279,1277,1259, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1297,1295,1293,1281, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1319,1317,1315,1297, &end
#
#    0 AMB  60-2:7       13 TYR  HD          3.50    (#      7:60  Single Ambig)
 &rst
  ixpk= 7, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 286, 373,
 igr2= 211, 220,
 &end
#
#   13 TYR  HE           13 TYR  HD          5.50    (#      8:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 8, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 213, 218,
 igr2= 211, 220,
 &end
#
#    0 AMB  60-2:10      13 TYR  HD          4.50    (#     10:60  Single Ambig)
 &rst
  ixpk= 10, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  93,  94, 207, 208,
 igr2= 211, 220,
 &end
#
#    0 AMB  60-2:11      66 TYR  HD          5.50    (#     11:60  Single Ambig)
 &rst
  ixpk= 11, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2=1032,1041,
 &end
#
#   66 TYR  HB-          66 TYR  HD          4.50    (#     12:60  Unique         2.31, 3.06 A)
 &rst
  ixpk= 12, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1028,1029,
 igr2=1032,1041,
 &end
#
#   66 TYR  HB+          66 TYR  HD          5.50    (#     13:60  Unique         2.31, 3.06 A)
 &rst
  ixpk= 13, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1028,1029,
 igr2=1032,1041,
 &end
#
#   40 LYS  HA           66 TYR  HD          5.50    (#     14:60  Unique         1.99, 4.20 A)
 &rst
  ixpk= 14, nxpk= 60, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1032,1041,
 &end
#
#   66 TYR  HE           66 TYR  HD          3.50    (#     15:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 15, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1034,1039,
 igr2=1032,1041,
 &end
#
#   66 TYR  HN           66 TYR  HD          4.50    (#     16:60  Unique         2.12, 3.55 A)
 &rst
  ixpk= 16, nxpk= 60, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1032,1041,
 &end
#
#    4 TRP  HB-           4 TRP  HD1         4.50    (#     21:60  Unique         2.55, 3.18 A)
 &rst
  ixpk= 21, nxpk= 60, iat=  -1,  54, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  50,  51,
 &end
#
#    0 AMB  60-2:22       4 TRP  HD1         5.50    (#     22:60  Single Ambig)
 &rst
  ixpk= 22, nxpk= 60, iat=  -1,  54, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 334, 335, 336,  18,  19,
 &end
#
#    4 TRP  HE1           4 TRP  HD1         4.50    (#     24:60  Unique         2.57, 2.57 A)
 &rst
  ixpk= 24, nxpk= 60, iat=  56,  54, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HN            4 TRP  HD1         5.50    (#     25:60  Unique         2.51, 3.18 A)
 &rst
  ixpk= 25, nxpk= 60, iat=  46,  54, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  QG2           4 TRP  HH2         4.50    (#     26:60  Unique         2.00, 3.93 A)
 &rst
  ixpk= 26, nxpk= 60, iat=  -1,  61, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1204,1205,1206,
 &end
#
#    0 AMB  60-2:27       4 TRP  HH2         4.50    (#     27:60  Single Ambig)
 &rst
  ixpk= 27, nxpk= 60, iat=  -1,  61, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1234,1235,1125,1126,1127,
 &end
#
#    4 TRP  HZ3           4 TRP  HH2         3.50    (#     28:60  Unique         2.44, 2.44 A)
 &rst
  ixpk= 28, nxpk= 60, iat=  63,  61, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 TRP  HZ2           4 TRP  HH2         2.80    (#     29:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 29, nxpk= 60, iat=  59,  61, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  60-2:30       4 TRP  HZ3         5.50    (#     30:60  Single Ambig)
 &rst
  ixpk= 30, nxpk= 60, iat=  -1,  63, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 716, 717, 716, 717,1211,1212,1213,
 &end
#
#    4 TRP  HE3           4 TRP  HZ3         4.50    (#     31:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 31, nxpk= 60, iat=  65,  63, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HH2           4 TRP  HZ3         4.50    (#     32:60  Unique         2.44, 2.44 A)
 &rst
  ixpk= 32, nxpk= 60, iat=  61,  63, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  60-2:33       4 TRP  HZ3         4.50    (#     33:60  Single Ambig)
 &rst
  ixpk= 33, nxpk= 60, iat=  -1,  63, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1125,1126,1127,1202,
 &end
#
#   41 ASN  HA           68 HIS  HD2         5.50    (#     39:60  Unique         2.73, 3.83 A)
 &rst
  ixpk= 39, nxpk= 60, iat= 658,1072, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 TRP  HB+           4 TRP  HE3         5.50    (#     40:60  Unique         2.41, 3.44 A)
 &rst
  ixpk= 40, nxpk= 60, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#   18 VAL  MGX           4 TRP  HE3         5.50    (#     41:60  Unique         3.15, 5.65 A)
 &rst
  ixpk= 41, nxpk= 60, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    4 TRP  HZ3           4 TRP  HE3         5.50    (#     42:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 42, nxpk= 60, iat=  63,  65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  60-2:44      66 TYR  HE          3.50    (#     44:60  Single Ambig)
 &rst
  ixpk= 44, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 549, 550, 598, 599, 600, 602, 603, 604,
 igr2=1034,1039,
 &end
#
#   37 VAL  HB           66 TYR  HE          4.50    (#     45:60  Unique         2.73, 4.57 A)
 &rst
  ixpk= 45, nxpk= 60, iat= 596,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1034,1039,
 &end
#
#   33 ILE  QG2          66 TYR  HE          4.50    (#     46:60  Unique         2.10, 5.37 A)
 &rst
  ixpk= 46, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 545, 546, 547,
 igr2=1034,1039,
 &end
#
#   64 MET  ME           66 TYR  HE          5.50    (#     47:60  Unique         3.65, 6.74 A)
 &rst
  ixpk= 47, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1011,1012,1013,
 igr2=1034,1039,
 &end
#
#    0 AMB  60-2:48       0 AMB  60-1:48     2.80    (#     48:60  Double Ambig)
 &rst
  ixpk= 48, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1032,1041, 368, 369,
 igr2=1034,1039, 213, 218,
 &end
#
#    6 ASP  HN           13 TYR  HE          5.50    (#     49:60  Unique         3.10, 5.85 A)
 &rst
  ixpk= 49, nxpk= 60, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 213, 218,
 &end
#
#   80 MET  HG-           4 TRP  HZ2         5.50    (#     51:60  Unique         2.00, 5.01 A)
 &rst
  ixpk= 51, nxpk= 60, iat=  -1,  59, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1234,1235,
 &end
#
#    4 TRP  HH2           4 TRP  HZ2         3.50    (#     52:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 52, nxpk= 60, iat=  61,  59, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 TRP  HE1           4 TRP  HZ2         4.50    (#     53:60  Unique         2.82, 2.82 A)
 &rst
  ixpk= 53, nxpk= 60, iat=  56,  59, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1       67 THR  HB          2.80    (#      1:20  Single Ambig)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=1055,1051,1052,1053,
 &end
#
#    0 AMB  20-2:2       43 THR  HB          4.50    (#      2:20  Single Ambig)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  21,  22,  21,  22,
 &end
#
#    0 AMB  20-2:3       43 THR  HB          4.50    (#      3:20  Single Ambig)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  18,  19,  18,  19,
 &end
#
#    0 AMB  20-2:4       43 THR  HB          3.50    (#      4:20  Single Ambig)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 692, 688, 689, 690,
 &end
#
#   43 THR  HN           43 THR  HB          3.50    (#      5:20  Unique         2.61, 2.71 A)
 &rst
  ixpk= 5, nxpk= 20, iat= 682, 686, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    2 GLU  HA           43 THR  HB          3.50    (#      6:20  Unique         3.16, 3.43 A)
 &rst
  ixpk= 6, nxpk= 20, iat=  16, 686, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 THR  HN           35 THR  HB          3.50    (#      8:20  Unique         2.70, 2.95 A)
 &rst
  ixpk= 8, nxpk= 20, iat= 568, 572, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:9       35 THR  HB          3.50    (#      9:20  Single Ambig)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1, 572, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 578, 574, 575, 576,
 &end
#
#   32 ARG  HB-          29 VAL  HA          5.50    (#     10:20  Unique         2.00, 3.03 A)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 519, 520,
 &end
#
#    0 AMB  20-2:11      29 VAL  HA          4.50    (#     11:20  Single Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 539, 447,
 &end
#
#   29 VAL  HN           29 VAL  HA          3.50    (#     12:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 12, nxpk= 20, iat= 462, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HB           29 VAL  HA          3.50    (#     13:20  Unique         2.46, 2.53 A)
 &rst
  ixpk= 13, nxpk= 20, iat= 466, 464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ARG  HB+          29 VAL  HA          4.50    (#     14:20  Unique         2.00, 3.03 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 519, 520,
 &end
#
#   29 VAL  MGY          29 VAL  HA          3.50    (#     15:20  Unique         2.12, 3.43 A)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  MGX          29 VAL  HA          3.50    (#     16:20  Unique         2.12, 3.43 A)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   24 ILE  QG2          29 VAL  HA          2.80    (#     17:20  Unique         2.02, 2.65 A)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 379, 380, 381,
 &end
#
#   23 ASN  HD2+         10 PRO  HA          4.50    (#     18:20  Unique         1.94, 2.79 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 368, 369,
 &end
#
#   10 PRO  HB+          10 PRO  HA          3.50    (#     19:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 164, 165,
 &end
#
#    0 AMB  20-2:20      10 PRO  HA          5.50    (#     20:20  Single Ambig)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 399, 400, 161, 162, 161, 162,
 &end
#
#   25 PRO  HG-          10 PRO  HA          4.50    (#     21:20  Unique         2.37, 4.17 A)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 396, 397,
 &end
#
#   13 TYR  HB-          10 PRO  HA          4.50    (#     22:20  Unique         2.50, 3.07 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#   60 ILE  HN           60 ILE  HA          3.50    (#     23:20  Unique         2.76, 2.81 A)
 &rst
  ixpk= 23, nxpk= 20, iat= 936, 938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:24      60 ILE  HA          3.50    (#     24:20  Single Ambig)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 989, 990, 989, 990,
 &end
#
#   60 ILE  HB           60 ILE  HA          3.50    (#     25:20  Unique         2.37, 2.45 A)
 &rst
  ixpk= 25, nxpk= 20, iat= 940, 938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 ILE  HG1+         60 ILE  HA          3.50    (#     26:20  Unique         3.67, 3.71 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 946, 947,
 &end
#
#   60 ILE  QD1          60 ILE  HA          4.50    (#     27:20  Unique         4.60, 5.08 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 949, 950, 951,
 &end
#
#   34 ALA  HA           38 PRO  HA          4.50    (#     28:20  Unique         3.08, 4.14 A)
 &rst
  ixpk= 28, nxpk= 20, iat= 560, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 PRO  HB-          38 PRO  HA          3.50    (#     29:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 615, 616,
 &end
#
#   35 THR  HN           35 THR  HA          3.50    (#     30:20  Unique         2.76, 2.92 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 568, 570, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLN  HN           18 VAL  HA          2.80    (#     31:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 306, 292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   82 LYS  HA           18 VAL  HA          3.50    (#     32:20  Unique         2.10, 2.87 A)
 &rst
  ixpk= 32, nxpk= 20, iat=1260, 292, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:33      18 VAL  HA          3.50    (#     33:20  Single Ambig)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1262,1263, 294,
 &end
#
#   18 VAL  MGY          18 VAL  HA          2.80    (#     34:20  Unique         2.20, 3.12 A)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#   82 LYS  HG+          18 VAL  HA          4.50    (#     35:20  Unique         2.00, 3.84 A)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1265,1266,
 &end
#
#   82 LYS  HG-          18 VAL  HA          4.50    (#     36:20  Unique         2.00, 3.84 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1265,1266,
 &end
#
#   82 LYS  HN           81 PRO  HA          2.80    (#     37:20  Unique         2.28, 2.38 A)
 &rst
  ixpk= 37, nxpk= 20, iat=1258,1254, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:38      81 PRO  HA          4.50    (#     38:20  Single Ambig)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1248,1249,1248,1249,
 &end
#
#   81 PRO  HB-          81 PRO  HA          3.50    (#     39:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1251,1252,
 &end
#
#   67 THR  HN           67 THR  HA          4.50    (#     40:20  Unique         2.79, 2.90 A)
 &rst
  ixpk= 40, nxpk= 20, iat=1045,1047, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:41       0 AMB  20-1:41     2.80    (#     41:20  Double Ambig)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1051,1052,1053,1055,
 igr2=1047, 978, 979,
 &end
#
#   62 SER  HN            0 AMB  20-1:42     4.50    (#     42:20  Single Ambig)
 &rst
  ixpk= 42, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 978, 979, 978, 979,
 &end
#
#   62 SER  HN            0 AMB  20-1:43     4.50    (#     43:20  Single Ambig)
 &rst
  ixpk= 43, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 978, 979, 978, 979,
 &end
#
#   62 SER  HA            0 AMB  20-1:44     3.50    (#     44:20  Single Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat= 976,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 978, 979, 978, 979,
 &end
#
#   62 SER  HA            0 AMB  20-1:45     3.50    (#     45:20  Single Ambig)
 &rst
  ixpk= 45, nxpk= 20, iat= 976,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 978, 979, 978, 979,
 &end
#
#   33 ILE  HN           33 ILE  HA          3.50    (#     46:20  Unique         2.76, 2.87 A)
 &rst
  ixpk= 46, nxpk= 20, iat= 539, 541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  HN           78 ILE  HA          4.50    (#     47:20  Unique         2.75, 2.80 A)
 &rst
  ixpk= 47, nxpk= 20, iat=1198,1200, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ILE  QG2          78 ILE  HA          3.50    (#     48:20  Unique         2.33, 3.10 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1204,1205,1206,
 &end
#
#   79 ALA  HN           78 ILE  HA          3.50    (#     49:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 49, nxpk= 20, iat=1217,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  HG1-         78 ILE  HA          3.50    (#     50:20  Unique         2.37, 2.83 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#    0 AMB  20-2:51      78 ILE  HA          3.50    (#     51:20  Single Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1202,1125,1126,1127,1234,1235,
 &end
#
#    0 AMB  20-2:52       0 AMB  20-1:52     3.50    (#     52:20  Double Ambig)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.10, r4= 6.85,
 igr1=1208,1209, 468, 469, 470, 472, 473, 474, 415, 416,
       417, 419, 420, 421,
 igr2=1200, 402,
 &end
#
#   62 SER  HN           62 SER  HA          4.50    (#     53:20  Unique         2.78, 2.85 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 974, 976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HN           62 SER  HA          5.50    (#     54:20  Unique         2.18, 3.61 A)
 &rst
  ixpk= 54, nxpk= 20, iat=1024, 976, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 ALA  HN           33 ILE  HA          4.50    (#     55:20  Unique         2.83, 3.72 A)
 &rst
  ixpk= 55, nxpk= 20, iat= 582, 541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:56       0 AMB  20-1:56     2.80    (#     56:20  Double Ambig)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1208,1209, 543,
 igr2=1200, 541,
 &end
#
#    0 AMB  20-2:57      33 ILE  HA          2.80    (#     57:20  Single Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 586, 587, 588, 549, 550,
 &end
#
#    0 AMB  20-2:58       0 AMB  20-1:58     3.50    (#     58:20  Double Ambig)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
 igr1= 545, 546, 547, 415, 416, 417, 419, 420, 421,1231,
      1232,
 igr2= 541, 402,1200,
 &end
#
#    0 AMB  20-2:59      33 ILE  HA          3.50    (#     59:20  Single Ambig)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 549, 550, 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:60       0 AMB  20-1:60     2.80    (#     60:20  Double Ambig)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 552, 553, 554,1204,1205,1206,
 igr2= 541,1200,
 &end
#
#   26 LEU  HN           25 PRO  HA          2.80    (#     61:20  Unique         2.25, 2.32 A)
 &rst
  ixpk= 61, nxpk= 20, iat= 406, 402, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  HA           25 PRO  HA          4.50    (#     62:20  Unique         2.02, 2.45 A)
 &rst
  ixpk= 62, nxpk= 20, iat= 103, 402, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:63      25 PRO  HA          5.50    (#     63:20  Single Ambig)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 105, 844, 845,
 &end
#
#   25 PRO  HB+          25 PRO  HA          3.50    (#     64:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 399, 400,
 &end
#
#   25 PRO  HB-          25 PRO  HA          3.50    (#     65:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1, 402, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 399, 400,
 &end
#
#    3 HIS  HN           44 VAL  HA          4.50    (#     66:20  Unique         3.60, 4.24 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  29, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:67      44 VAL  HA          2.80    (#     67:20  Single Ambig)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 712, 696,
 &end
#
#   17 HIS  HB+          13 TYR  HA          5.50    (#     68:20  Unique         2.95, 4.37 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 277, 278,
 &end
#
#    0 AMB  20-2:70      13 TYR  HA          4.50    (#     70:20  Single Ambig)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 286, 186, 373,
 &end
#
#   13 TYR  HN           13 TYR  HA          3.50    (#     71:20  Unique         2.75, 2.76 A)
 &rst
  ixpk= 71, nxpk= 20, iat= 203, 205, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 TYR  HB+          13 TYR  HA          4.50    (#     72:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#   13 TYR  HB-          13 TYR  HA          3.50    (#     73:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 207, 208,
 &end
#
#   57 ALA  MB           54 SER  HA          4.50    (#     74:20  Unique         2.48, 3.99 A)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 893, 894, 895,
 &end
#
#    7 VAL  MGX           0 AMB  20-1:75     3.50    (#     75:20  Single Ambig)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 856, 858, 859,
 &end
#
#    9 VAL  HN            9 VAL  HA          4.50    (#     76:20  Unique         2.71, 2.73 A)
 &rst
  ixpk= 76, nxpk= 20, iat= 141, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:77       9 VAL  HA          2.80    (#     77:20  Single Ambig)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 158, 159, 158, 159,
 &end
#
#    9 VAL  HB            9 VAL  HA          3.50    (#     78:20  Unique         2.57, 2.58 A)
 &rst
  ixpk= 78, nxpk= 20, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 PRO  HB+           9 VAL  HA          3.50    (#     79:20  Unique         2.07, 2.75 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 399, 400,
 &end
#
#   25 PRO  HG-           9 VAL  HA          4.50    (#     80:20  Unique         3.54, 4.27 A)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 396, 397,
 &end
#
#    9 VAL  MGY           9 VAL  HA          3.50    (#     81:20  Unique         2.10, 3.39 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  MGX           9 VAL  HA          4.50    (#     82:20  Unique         2.10, 3.39 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   30 LYS  HN           30 LYS  HA          3.50    (#     83:20  Unique         2.71, 2.81 A)
 &rst
  ixpk= 83, nxpk= 20, iat= 478, 480, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:84      30 LYS  HA          2.80    (#     84:20  Single Ambig)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 482, 483, 482, 483,
 &end
#
#   30 LYS  HG-          30 LYS  HA          3.50    (#     85:20  Unique         2.04, 2.73 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 485, 486,
 &end
#
#   11 GLU  HN           11 GLU  HA          3.50    (#     86:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 86, nxpk= 20, iat= 171, 173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:87      11 GLU  HA          2.80    (#     87:20  Single Ambig)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 178, 179, 178, 179,
 &end
#
#    0 AMB  20-2:88      11 GLU  HA          2.80    (#     88:20  Single Ambig)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 175, 176, 175, 176,
 &end
#
#    0 AMB  20-2:89       0 AMB  20-1:89     3.50    (#     89:20  Double Ambig)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1=1011,1012,1013, 903, 904,
 igr2= 480, 901,
 &end
#
#    0 AMB  20-2:90       7 VAL  HA          3.50    (#     90:20  Single Ambig)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 406, 117,
 &end
#
#    0 AMB  20-2:91       7 VAL  HA          3.50    (#     91:20  Single Ambig)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 101, 373,
 &end
#
#   25 PRO  HA            7 VAL  HA          3.50    (#     92:20  Unique         2.02, 2.45 A)
 &rst
  ixpk= 92, nxpk= 20, iat= 402, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HB            7 VAL  HA          3.50    (#     93:20  Unique         2.45, 2.72 A)
 &rst
  ixpk= 93, nxpk= 20, iat= 105, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  MGY           7 VAL  HA          2.80    (#     94:20  Unique         2.23, 3.30 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  MGX           7 VAL  HA          3.50    (#     95:20  Unique         2.23, 3.30 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   69 VAL  HN           69 VAL  HA          4.50    (#     96:20  Unique         2.89, 2.93 A)
 &rst
  ixpk= 96, nxpk= 20, iat=1076,1078, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 GLU  HN           69 VAL  HA          2.80    (#     97:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 97, nxpk= 20, iat=1092,1078, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   44 VAL  HN           69 VAL  HA          3.50    (#     98:20  Unique         3.39, 3.50 A)
 &rst
  ixpk= 98, nxpk= 20, iat= 696,1078, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:99      69 VAL  HA          3.50    (#     99:20  Single Ambig)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1080, 700,
 &end
#
#    0 AMB  20-2:100     69 VAL  HA          2.80    (#    100:20  Single Ambig)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   58 LYS  HN           58 LYS  HA          3.50    (#    101:20  Unique         2.76, 2.81 A)
 &rst
  ixpk= 101, nxpk= 20, iat= 899, 901, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:102      0 AMB  20-1:102    2.80    (#    102:20  Double Ambig)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 485, 486, 903, 904,
 igr2= 480, 901,
 &end
#
#    0 AMB  20-2:103      0 AMB  20-1:103    2.80    (#    103:20  Double Ambig)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 949, 950, 951,
 igr2= 901, 480,
 &end
#
#   61 LEU  MDX          58 LYS  HA          4.50    (#    104:20  Unique         2.00, 4.39 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:105     58 LYS  HA          3.50    (#    105:20  Single Ambig)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 906, 907, 906, 907, 959, 960,
 &end
#
#   83 VAL  HN           83 VAL  HA          4.50    (#    106:20  Unique         2.90, 2.94 A)
 &rst
  ixpk= 106, nxpk= 20, iat=1280,1282, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 LYS  HN           83 VAL  HA          2.80    (#    107:20  Unique         2.14, 2.24 A)
 &rst
  ixpk= 107, nxpk= 20, iat=1296,1282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:108     83 VAL  HA          3.50    (#    108:20  Single Ambig)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,1282, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1284,1303,1304,
 &end
#
#   83 VAL  MGY          83 VAL  HA          3.50    (#    109:20  Unique         2.17, 3.45 A)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,1282, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   66 TYR  HN           66 TYR  HA          4.50    (#    110:20  Unique         2.76, 2.87 A)
 &rst
  ixpk= 110, nxpk= 20, iat=1024,1026, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 THR  HN           66 TYR  HA          3.50    (#    111:20  Unique         2.14, 2.32 A)
 &rst
  ixpk= 111, nxpk= 20, iat=1045,1026, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HB+          66 TYR  HA          4.50    (#    112:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1028,1029,
 &end
#
#   66 TYR  HB-          66 TYR  HA          4.50    (#    113:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1028,1029,
 &end
#
#   40 LYS  HB+          66 TYR  HA          3.50    (#    114:20  Unique         2.00, 3.07 A)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#   40 LYS  HB-          66 TYR  HA          5.50    (#    115:20  Unique         2.00, 3.07 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 638, 639,
 &end
#
#    0 AMB  20-2:116     52 ARG  HA          4.50    (#    116:20  Single Ambig)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 813, 854,
 &end
#
#   52 ARG  HG-          52 ARG  HA          3.50    (#    117:20  Unique         2.20, 2.92 A)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 820, 821,
 &end
#
#    0 AMB  20-2:118      0 AMB  20-1:118    3.50    (#    118:20  Double Ambig)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 849, 850, 921, 872,
 igr2= 839, 923,
 &end
#
#   53 GLN  HN           52 ARG  HA          3.50    (#    119:20  Unique         3.38, 3.56 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 837, 815, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HB           22 ILE  HA          3.50    (#    120:20  Unique         2.49, 2.52 A)
 &rst
  ixpk= 120, nxpk= 20, iat= 344, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HG1+         22 ILE  HA          5.50    (#    121:20  Unique         2.19, 2.79 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 350, 351,
 &end
#
#    0 AMB  20-2:122     22 ILE  HA          3.50    (#    122:20  Single Ambig)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 346, 347, 348, 353, 354, 355,
 &end
#
#    0 AMB  20-2:123     52 ARG  HA          2.80    (#    123:20  Single Ambig)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 817, 818, 817, 818,
 &end
#
#    0 AMB  20-2:124      0 AMB  20-1:124    2.80    (#    124:20  Double Ambig)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 925, 926, 925, 926, 841, 842, 841, 842, 989, 990,
       989, 990,
 igr2= 923, 839, 987,
 &end
#
#    0 AMB  20-2:125      0 AMB  20-1:125    3.50    (#    125:20  Double Ambig)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 928, 929, 992, 993,
 igr2= 923, 987,
 &end
#
#   63 GLU  HN           63 GLU  HA          3.50    (#    128:20  Unique         2.76, 2.84 A)
 &rst
  ixpk= 128, nxpk= 20, iat= 985, 987, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 MET  HN           63 GLU  HA          4.50    (#    129:20  Unique         3.32, 3.52 A)
 &rst
  ixpk= 129, nxpk= 20, iat=1000, 987, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:130     56 GLN  HA          3.50    (#    130:20  Single Ambig)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 884, 885, 872,
 &end
#
#    0 AMB  20-2:131     56 GLN  HA          2.80    (#    131:20  Single Ambig)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 879, 880, 879, 880,
 &end
#
#   56 GLN  HB-          56 GLN  HA          2.80    (#    132:20  Unique         2.41, 2.80 A)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 876, 877,
 &end
#
#   15 GLN  HN           15 GLN  HA          3.50    (#    133:20  Unique         2.75, 2.88 A)
 &rst
  ixpk= 133, nxpk= 20, iat= 241, 243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLN  HG+          15 GLN  HA          4.50    (#    134:20  Unique         2.03, 3.07 A)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 248, 249,
 &end
#
#    0 AMB  20-2:135     15 GLN  HA          2.80    (#    135:20  Single Ambig)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 245, 246, 245, 246,
 &end
#
#   85 GLY  HN           15 GLN  HA          5.50    (#    136:20  Unique         3.21, 4.14 A)
 &rst
  ixpk= 136, nxpk= 20, iat=1318, 243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 GLN  HG-          15 GLN  HA          3.50    (#    137:20  Unique         2.03, 3.07 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 248, 249,
 &end
#
#   26 LEU  HN           26 LEU  HA          3.50    (#    138:20  Unique         2.75, 2.78 A)
 &rst
  ixpk= 138, nxpk= 20, iat= 406, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:139     26 LEU  HA          4.50    (#    139:20  Single Ambig)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 105, 844, 845,
 &end
#
#   29 VAL  HB           26 LEU  HA          3.50    (#    140:20  Unique         1.94, 2.21 A)
 &rst
  ixpk= 140, nxpk= 20, iat= 466, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:141      0 AMB  20-1:141    3.50    (#    141:20  Double Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 410, 411, 310, 311,
 igr2= 408, 308,
 &end
#
#    0 AMB  20-2:142      0 AMB  20-1:142    4.50    (#    142:20  Double Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 413, 294,
 igr2= 408, 308,
 &end
#
#   26 LEU  HB-          26 LEU  HA          3.50    (#    143:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 410, 411,
 &end
#
#    0 AMB  20-2:144     26 LEU  HA          2.80    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 468, 469, 470, 472, 473, 474, 415, 416, 417, 419,
       420, 421,
 &end
#
#   12 GLN  HN           12 GLN  HA          4.50    (#    145:20  Unique         2.90, 2.92 A)
 &rst
  ixpk= 145, nxpk= 20, iat= 186, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HG+          12 GLN  HA          2.80    (#    146:20  Unique         2.28, 3.08 A)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 193, 194,
 &end
#
#    0 AMB  20-2:147     12 GLN  HA          2.80    (#    147:20  Single Ambig)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 245, 246, 245, 246, 190, 191,
 &end
#
#   12 GLN  HB-          12 GLN  HA          3.50    (#    148:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 190, 191,
 &end
#
#   25 PRO  HD+          24 ILE  HA          3.50    (#    149:20  Unique         2.01, 2.48 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 393, 394,
 &end
#
#    0 AMB  20-2:150      0 AMB  20-1:150    2.80    (#    150:20  Double Ambig)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 393, 394, 609, 610,
 igr2= 375, 594,
 &end
#
#    0 AMB  20-2:151     27 LYS  HA          3.50    (#    151:20  Single Ambig)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1, 427, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 432, 433, 432, 433,
 &end
#
#    0 AMB  20-2:152     24 ILE  HA          2.80    (#    152:20  Single Ambig)
 &rst
  ixpk= 152, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 386, 387, 388, 379, 380, 381,
 &end
#
#   27 LYS  HN           27 LYS  HA          3.50    (#    153:20  Unique         2.77, 2.80 A)
 &rst
  ixpk= 153, nxpk= 20, iat= 425, 427, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:154      0 AMB  20-1:154    2.80    (#    154:20  Double Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 429, 430, 522, 523,
 igr2= 427, 375,
 &end
#
#   37 VAL  MGY          37 VAL  HA          2.80    (#    155:20  Unique         2.31, 3.15 A)
 &rst
  ixpk= 155, nxpk= 20, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   38 PRO  HD+          37 VAL  HA          2.80    (#    156:20  Unique         2.02, 2.49 A)
 &rst
  ixpk= 156, nxpk= 20, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 609, 610,
 &end
#
#   37 VAL  MGX          37 VAL  HA          3.50    (#    157:20  Unique         2.31, 3.15 A)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:158     24 ILE  HA          4.50    (#    158:20  Single Ambig)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 373, 368, 369,
 &end
#
#   24 ILE  HG1+         24 ILE  HA          2.80    (#    159:20  Unique         2.52, 2.83 A)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1, 375, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 383, 384,
 &end
#
#   37 VAL  HN           37 VAL  HA          3.50    (#    160:20  Unique         2.91, 2.94 A)
 &rst
  ixpk= 160, nxpk= 20, iat= 592, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 LYS  HN           76 LYS  HA          3.50    (#    161:20  Unique         2.27, 2.77 A)
 &rst
  ixpk= 161, nxpk= 20, iat=1164,1166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:162     76 LYS  HA          2.80    (#    162:20  Single Ambig)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1168,1169,1168,1169,
 &end
#
#    0 AMB  20-2:163     76 LYS  HA          4.50    (#    163:20  Single Ambig)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,1166, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1171,1172,1171,1172,
 &end
#
#   75 LEU  HB+          75 LEU  HA          4.50    (#    164:20  Unique         2.34, 2.79 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1149,1150,
 &end
#
#   75 LEU  HB-          75 LEU  HA          2.80    (#    165:20  Unique         2.34, 2.79 A)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1149,1150,
 &end
#
#   78 ILE  QD1          75 LEU  HA          3.50    (#    166:20  Unique         2.37, 4.11 A)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1211,1212,1213,
 &end
#
#   75 LEU  HN           75 LEU  HA          4.50    (#    167:20  Unique         2.76, 2.84 A)
 &rst
  ixpk= 167, nxpk= 20, iat=1145,1147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:168     75 LEU  HA          3.50    (#    168:20  Single Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   61 LEU  HG           61 LEU  HA          3.50    (#    169:20  Unique         2.24, 2.68 A)
 &rst
  ixpk= 169, nxpk= 20, iat= 962, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   20 GLY  HN           19 GLN  HA          3.50    (#    170:20  Unique         2.15, 2.23 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 323, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLN  HN           19 GLN  HA          3.50    (#    171:20  Unique         2.75, 2.82 A)
 &rst
  ixpk= 171, nxpk= 20, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLN  HG-          19 GLN  HA          3.50    (#    173:20  Unique         2.06, 2.88 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 313, 314,
 &end
#
#   19 GLN  HB+          19 GLN  HA          3.50    (#    174:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#   19 GLN  HB-          19 GLN  HA          3.50    (#    175:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#   83 VAL  MGX          19 GLN  HA          4.50    (#    176:20  Unique         2.25, 4.60 A)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#    5 ILE  HN           46 VAL  HA          4.50    (#    177:20  Unique         4.26, 4.47 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  70, 736, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:178     46 VAL  HA          2.80    (#    178:20  Single Ambig)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 750, 734,
 &end
#
#   46 VAL  HB           46 VAL  HA          3.50    (#    179:20  Unique         2.44, 2.50 A)
 &rst
  ixpk= 179, nxpk= 20, iat= 738, 736, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:180     46 VAL  HA          3.50    (#    180:20  Single Ambig)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
       112, 113,
 &end
#
#   61 LEU  HN           61 LEU  HA          3.50    (#    181:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 181, nxpk= 20, iat= 955, 957, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 GLN  HN           14 GLN  HA          3.50    (#    182:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 182, nxpk= 20, iat= 224, 226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:183     14 GLN  HA          3.50    (#    183:20  Single Ambig)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:184     14 GLN  HA          2.80    (#    184:20  Single Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 228, 229, 228, 229,
 &end
#
#   66 TYR  HD           40 LYS  HA          5.50    (#    185:20  Unique         1.99, 4.20 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1032,1041,
 &end
#
#   31 GLU  HN           31 GLU  HA          3.50    (#    186:20  Unique         2.93, 2.93 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 500, 502, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:187     31 GLU  HA          2.80    (#    187:20  Single Ambig)
 &rst
  ixpk= 187, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 504, 505, 504, 505,
 &end
#
#   64 MET  HN           61 LEU  HA          4.50    (#    188:20  Unique         3.23, 3.73 A)
 &rst
  ixpk= 188, nxpk= 20, iat=1000, 957, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:189     61 LEU  HA          4.50    (#    189:20  Single Ambig)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1004,1005,1007,1008,
 &end
#
#   64 MET  HB-          61 LEU  HA          3.50    (#    190:20  Unique         2.24, 3.68 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1004,1005,
 &end
#
#    0 AMB  20-2:191     61 LEU  HA          3.50    (#    191:20  Single Ambig)
 &rst
  ixpk= 191, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 959, 960, 549, 550,
 &end
#
#    0 AMB  20-2:192     61 LEU  HA          2.80    (#    192:20  Single Ambig)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1, 957, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 &end
#
#    0 AMB  20-2:193     40 LYS  HA          3.50    (#    193:20  Single Ambig)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642, 644, 645,
 &end
#
#   40 LYS  HN           40 LYS  HA          3.50    (#    194:20  Unique         2.81, 2.91 A)
 &rst
  ixpk= 194, nxpk= 20, iat= 634, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HE           40 LYS  HA          4.50    (#    195:20  Unique         2.90, 5.10 A)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1034,1039,
 &end
#
#   40 LYS  HB+          40 LYS  HA          3.50    (#    196:20  Unique         2.35, 2.54 A)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#   40 LYS  HB-          40 LYS  HA          3.50    (#    197:20  Unique         2.35, 2.54 A)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#   40 LYS  HG-          40 LYS  HA          3.50    (#    198:20  Unique         2.56, 3.48 A)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 641, 642,
 &end
#
#   49 ASN  HD2-         49 ASN  HA          3.50    (#    199:20  Unique         1.95, 2.83 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 791, 792,
 &end
#
#   49 ASN  HB+          49 ASN  HA          3.50    (#    200:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 786, 787,
 &end
#
#   32 ARG  HN           32 ARG  HA          3.50    (#    201:20  Unique         2.90, 2.94 A)
 &rst
  ixpk= 201, nxpk= 20, iat= 515, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:202     32 ARG  HA          5.50    (#    202:20  Single Ambig)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 525, 526, 525, 526,
 &end
#
#    0 AMB  20-2:203     32 ARG  HA          2.80    (#    203:20  Single Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 522, 523, 519, 520,
 &end
#
#    0 AMB  20-2:204     32 ARG  HA          2.80    (#    204:20  Single Ambig)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 522, 523, 519, 520,
 &end
#
#   48 CYS  HN           47 TYR  HA          3.50    (#    205:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 205, nxpk= 20, iat= 771, 752, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:206     47 TYR  HA          3.50    (#    206:20  Single Ambig)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1133,1134, 754, 755,
 &end
#
#   47 TYR  HB-          47 TYR  HA          3.50    (#    207:20  Unique         2.24, 2.54 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 754, 755,
 &end
#
#   64 MET  HN           64 MET  HA          3.50    (#    208:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 208, nxpk= 20, iat=1000,1002, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 MET  HG+          64 MET  HA          3.50    (#    209:20  Unique         2.02, 3.00 A)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1007,1008,
 &end
#
#    0 AMB  20-2:210     64 MET  HA          2.80    (#    210:20  Single Ambig)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1007,1008,1004,1005,
 &end
#
#   64 MET  HB-          64 MET  HA          3.50    (#    211:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 211, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1004,1005,
 &end
#
#   16 GLU  HN           16 GLU  HA          4.50    (#    212:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 212, nxpk= 20, iat= 258, 260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 ILE  HN            4 TRP  HA          2.80    (#    213:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 213, nxpk= 20, iat=  70,  48, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   45 LYS  HN            4 TRP  HA          4.50    (#    214:20  Unique         4.10, 4.43 A)
 &rst
  ixpk= 214, nxpk= 20, iat= 712,  48, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HB+           4 TRP  HA          3.50    (#    215:20  Unique         2.52, 2.80 A)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#    0 AMB  20-2:216      4 TRP  HA          3.50    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 716, 717, 716, 717,
 &end
#
#   17 HIS  HN           16 GLU  HA          3.50    (#    217:20  Unique         2.14, 2.26 A)
 &rst
  ixpk= 217, nxpk= 20, iat= 273, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:218      0 AMB  20-1:218    3.50    (#    218:20  Double Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 121, 122, 262, 263,
 igr2= 773, 260,
 &end
#
#   16 GLU  HG+          16 GLU  HA          3.50    (#    219:20  Unique         2.10, 3.18 A)
 &rst
  ixpk= 219, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 265, 266,
 &end
#
#    0 AMB  20-2:220      0 AMB  20-1:220    3.50    (#    220:20  Double Ambig)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 265, 266, 124, 125, 124, 125, 262, 263,
 igr2= 260, 773,
 &end
#
#    9 VAL  HN            8 ARG  HA          2.80    (#    221:20  Unique         2.20, 2.31 A)
 &rst
  ixpk= 221, nxpk= 20, iat= 141, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 GLN  HB-           8 ARG  HA          4.50    (#    222:20  Unique         4.61, 5.26 A)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 190, 191,
 &end
#
#    0 AMB  20-2:223      8 ARG  HA          4.50    (#    223:20  Single Ambig)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 117, 406,
 &end
#
#    0 AMB  20-2:224      8 ARG  HA          3.50    (#    224:20  Single Ambig)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 121, 122, 841, 842, 841, 842,
 &end
#
#    0 AMB  20-2:225      8 ARG  HA          4.50    (#    225:20  Single Ambig)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125, 124, 125,
 &end
#
#   28 GLU  HN           28 GLU  HA          3.50    (#    226:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 226, nxpk= 20, iat= 447, 449, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HN           28 GLU  HA          4.50    (#    227:20  Unique         2.65, 2.82 A)
 &rst
  ixpk= 227, nxpk= 20, iat= 462, 449, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:228     28 GLU  HA          3.50    (#    228:20  Single Ambig)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 454, 455, 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:229     28 GLU  HA          2.80    (#    229:20  Single Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 451, 452, 454, 455,
 &end
#
#   28 GLU  HB-          28 GLU  HA          3.50    (#    230:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1, 449, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 451, 452,
 &end
#
#   85 GLY  HN           84 LYS  HA          2.80    (#    231:20  Unique         2.14, 2.19 A)
 &rst
  ixpk= 231, nxpk= 20, iat=1318,1298, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:232     84 LYS  HA          3.50    (#    232:20  Single Ambig)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:233     84 LYS  HA          3.50    (#    233:20  Single Ambig)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1296, 273,
 &end
#
#    0 AMB  20-2:234     84 LYS  HA          3.50    (#    234:20  Single Ambig)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1300,1301, 265, 266,
 &end
#
#    0 AMB  20-2:235     84 LYS  HA          3.50    (#    235:20  Single Ambig)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1300,1301,1306,1307,1306,1307,
 &end
#
#    0 AMB  20-2:236      0 AMB  20-1:236    4.50    (#    236:20  Double Ambig)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 262, 263, 121, 122, 841, 842, 841, 842,
 igr2=1298, 119,
 &end
#
#   43 THR  HN           42 ASP  HA          2.80    (#    237:20  Unique         2.14, 2.36 A)
 &rst
  ixpk= 237, nxpk= 20, iat= 682, 672, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 ASP  HN           42 ASP  HA          3.50    (#    238:20  Unique         2.76, 2.87 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 670, 672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 ASP  HB+          42 ASP  HA          3.50    (#    239:20  Unique         2.35, 2.77 A)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#   42 ASP  HB-          42 ASP  HA          3.50    (#    240:20  Unique         2.35, 2.77 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#    0 AMB  20-2:241     57 ALA  HA          3.50    (#    241:20  Single Ambig)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 889, 955,
 &end
#
#   60 ILE  HN           57 ALA  HA          4.50    (#    242:20  Unique         3.12, 3.40 A)
 &rst
  ixpk= 242, nxpk= 20, iat= 936, 891, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ILE  HG1-         57 ALA  HA          2.80    (#    243:20  Unique         1.98, 2.70 A)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 946, 947,
 &end
#
#   57 ALA  MB           57 ALA  HA          2.80    (#    244:20  Unique         2.26, 2.63 A)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 893, 894, 895,
 &end
#
#    0 AMB  20-2:245     57 ALA  HA          2.80    (#    245:20  Single Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 415, 416, 417, 419, 420, 421, 949, 950, 951,
 &end
#
#   34 ALA  HN           34 ALA  HA          3.50    (#    246:20  Unique         2.78, 2.89 A)
 &rst
  ixpk= 246, nxpk= 20, iat= 558, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:247      2 GLU  HA          3.50    (#    247:20  Single Ambig)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  21,  22,  21,  22,
 &end
#
#    3 HIS  HN            2 GLU  HA          2.80    (#    248:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 248, nxpk= 20, iat=  29,  16, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 THR  HB            2 GLU  HA          3.50    (#    249:20  Unique         3.16, 3.43 A)
 &rst
  ixpk= 249, nxpk= 20, iat= 686,  16, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:250      2 GLU  HA          3.50    (#    250:20  Single Ambig)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  18,  19,  18,  19,
 &end
#
#    0 AMB  20-2:251      2 GLU  HA          4.50    (#    251:20  Single Ambig)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 692, 688, 689, 690,
 &end
#
#   18 VAL  HA           82 LYS  HA          3.50    (#    252:20  Unique         2.10, 2.87 A)
 &rst
  ixpk= 252, nxpk= 20, iat= 292,1260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ASP  HB+          77 ASP  HA          3.50    (#    253:20  Unique         2.39, 2.81 A)
 &rst
  ixpk= 253, nxpk= 20, iat=  -1,1188, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1190,1191,
 &end
#
#   77 ASP  HB-          77 ASP  HA          3.50    (#    254:20  Unique         2.39, 2.81 A)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,1188, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1190,1191,
 &end
#
#   37 VAL  HN           34 ALA  HA          4.50    (#    255:20  Unique         2.97, 4.24 A)
 &rst
  ixpk= 255, nxpk= 20, iat= 592, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 THR  HN           34 ALA  HA          5.50    (#    256:20  Unique         3.06, 3.34 A)
 &rst
  ixpk= 256, nxpk= 20, iat= 568, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HA           34 ALA  HA          4.50    (#    257:20  Unique         3.08, 4.14 A)
 &rst
  ixpk= 257, nxpk= 20, iat= 618, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ALA  MB           34 ALA  HA          2.80    (#    258:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 562, 563, 564,
 &end
#
#   33 ILE  QG2          34 ALA  HA          4.50    (#    259:20  Unique         3.28, 4.32 A)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 545, 546, 547,
 &end
#
#   83 VAL  HN           82 LYS  HA          2.80    (#    260:20  Unique         2.47, 2.66 A)
 &rst
  ixpk= 260, nxpk= 20, iat=1280,1260, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 HIS  HB-           3 HIS  HA          4.50    (#    261:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,  31, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#    3 HIS  HB+           3 HIS  HA          3.50    (#    262:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,  31, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  33,  34,
 &end
#
#    0 AMB  20-2:263     45 LYS  HA          4.50    (#    263:20  Single Ambig)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 719, 720, 722, 723,
 &end
#
#    0 AMB  20-2:264     45 LYS  HA          3.50    (#    264:20  Single Ambig)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1, 714, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 716, 717, 716, 717,
 &end
#
#   45 LYS  HN           45 LYS  HA          4.50    (#    265:20  Unique         2.86, 2.90 A)
 &rst
  ixpk= 265, nxpk= 20, iat= 712, 714, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 VAL  HN           45 LYS  HA          2.80    (#    266:20  Unique         2.14, 2.21 A)
 &rst
  ixpk= 266, nxpk= 20, iat= 734, 714, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 HIS  HN           68 HIS  HA          4.50    (#    267:20  Unique         2.79, 2.90 A)
 &rst
  ixpk= 267, nxpk= 20, iat=1059,1061, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  HN           68 HIS  HA          2.80    (#    268:20  Unique         2.14, 2.46 A)
 &rst
  ixpk= 268, nxpk= 20, iat=1076,1061, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 HIS  HB+          68 HIS  HA          3.50    (#    269:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1063,1064,
 &end
#
#   68 HIS  HB-          68 HIS  HA          4.50    (#    270:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#    4 TRP  HN            3 HIS  HA          2.80    (#    271:20  Unique         2.16, 2.23 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  46,  31, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   37 VAL  HN           36 ALA  HA          5.50    (#    272:20  Unique         3.48, 3.52 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 592, 584, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 ALA  HN           36 ALA  HA          3.50    (#    273:20  Unique         2.81, 2.88 A)
 &rst
  ixpk= 273, nxpk= 20, iat= 582, 584, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:274     70 GLU  HA          2.80    (#    274:20  Single Ambig)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1107,1092,
 &end
#
#    0 AMB  20-2:275     70 GLU  HA          3.50    (#    275:20  Single Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1099,1100,1099,1100,
 &end
#
#   70 GLU  HB+          70 GLU  HA          3.50    (#    276:20  Unique         2.50, 2.82 A)
 &rst
  ixpk= 276, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1096,1097,
 &end
#
#   70 GLU  HB-          70 GLU  HA          3.50    (#    277:20  Unique         2.50, 2.82 A)
 &rst
  ixpk= 277, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1096,1097,
 &end
#
#   58 LYS  HD-          70 GLU  HA          5.50    (#    278:20  Unique         4.23, 6.09 A)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 909, 910,
 &end
#
#   36 ALA  MB           36 ALA  HA          2.80    (#    279:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 586, 587, 588,
 &end
#
#   41 ASN  HN           41 ASN  HA          3.50    (#    280:20  Unique         2.76, 2.88 A)
 &rst
  ixpk= 280, nxpk= 20, iat= 656, 658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 ASP  HN           39 ASP  HA          3.50    (#    281:20  Unique         2.87, 2.92 A)
 &rst
  ixpk= 281, nxpk= 20, iat= 622, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 LYS  HN           39 ASP  HA          2.80    (#    282:20  Unique         2.14, 2.22 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 634, 624, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   39 ASP  HB+          39 ASP  HA          3.50    (#    283:20  Unique         2.35, 2.80 A)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 626, 627,
 &end
#
#   39 ASP  HB-          39 ASP  HA          3.50    (#    284:20  Unique         2.35, 2.80 A)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 626, 627,
 &end
#
#   41 ASN  HB-          41 ASN  HA          3.50    (#    285:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 660, 661,
 &end
#
#   41 ASN  HB+          41 ASN  HA          2.80    (#    286:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 660, 661,
 &end
#
#   72 ALA  HN           72 ALA  HA          4.50    (#    287:20  Unique         2.76, 2.85 A)
 &rst
  ixpk= 287, nxpk= 20, iat=1121,1123, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 ALA  MB           72 ALA  HA          2.80    (#    288:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1125,1126,1127,
 &end
#
#   22 ILE  HN           21 ALA  HA          3.50    (#    289:20  Unique         2.16, 2.44 A)
 &rst
  ixpk= 289, nxpk= 20, iat= 340, 332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 ALA  HN           21 ALA  HA          3.50    (#    290:20  Unique         2.79, 2.92 A)
 &rst
  ixpk= 290, nxpk= 20, iat= 330, 332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 TRP  HB-          21 ALA  HA          3.50    (#    291:20  Unique         2.00, 3.16 A)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#   21 ALA  MB           21 ALA  HA          2.80    (#    292:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 334, 335, 336,
 &end
#
#    1 ALA  MB            1 ALA  HA          2.80    (#    294:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=   8,   9,  10,
 &end
#
#    2 GLU  HN            1 ALA  HA          3.50    (#    295:20  Unique         2.14, 2.36 A)
 &rst
  ixpk= 295, nxpk= 20, iat=  14,   6, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HN            6 ASP  HA          3.50    (#    296:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 296, nxpk= 20, iat= 101,  91, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ALA  HN           71 ASN  HA          2.80    (#    297:20  Unique         2.14, 2.19 A)
 &rst
  ixpk= 297, nxpk= 20, iat=1121,1109, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 ASN  HN           71 ASN  HA          4.50    (#    298:20  Unique         2.79, 2.84 A)
 &rst
  ixpk= 298, nxpk= 20, iat=1107,1109, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 VAL  HN           71 ASN  HA          4.50    (#    299:20  Unique         2.34, 3.43 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 734,1109, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASN  HB-          71 ASN  HA          3.50    (#    300:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1111,1112,
 &end
#
#   46 VAL  MGX          71 ASN  HA          3.50    (#    301:20  Unique         1.99, 3.91 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#   71 ASN  HB+          71 ASN  HA          4.50    (#    302:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1111,1112,
 &end
#
#   79 ALA  HN           79 ALA  HA          4.50    (#    303:20  Unique         2.83, 2.91 A)
 &rst
  ixpk= 303, nxpk= 20, iat=1217,1219, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 MET  HN           79 ALA  HA          3.50    (#    304:20  Unique         2.18, 3.06 A)
 &rst
  ixpk= 304, nxpk= 20, iat=1227,1219, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 ALA  MB           79 ALA  HA          2.80    (#    305:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1221,1222,1223,
 &end
#
#    9 VAL  HA            0 AMB  20-1:307    2.80    (#    307:20  Single Ambig)
 &rst
  ixpk= 307, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 158, 159, 158, 159,
 &end
#
#    9 VAL  HB            0 AMB  20-1:308    2.80    (#    308:20  Single Ambig)
 &rst
  ixpk= 308, nxpk= 20, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 158, 159, 158, 159,
 &end
#
#    0 AMB  20-2:309      0 AMB  20-1:309    5.50    (#    309:20  Double Ambig)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 164, 165, 164, 165,
 igr2= 158, 159, 158, 159,
 &end
#
#    0 AMB  20-2:310      0 AMB  20-1:310    2.80    (#    310:20  Double Ambig)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1= 399, 400, 399, 400, 161, 162, 161, 162, 161, 162,
      
 igr2= 158, 159, 158, 159, 158, 159, 158, 159,
 &end
#
#   28 GLU  HG-           0 AMB  20-1:311    3.50    (#    311:20  Single Ambig)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 454, 455,
 igr2= 158, 159, 158, 159,
 &end
#
#    9 VAL  MGY           0 AMB  20-1:312    4.50    (#    312:20  Single Ambig)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 158, 159, 158, 159,
 &end
#
#   80 MET  HA           81 PRO  HD+         2.80    (#    314:20  Unique         2.30, 2.42 A)
 &rst
  ixpk= 314, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:315      0 AMB  20-1:315    2.80    (#    315:20  Double Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1248,1249,1248,1249,
 igr2=1245,1246,1245,1246,
 &end
#
#    0 AMB  20-2:316      0 AMB  20-1:316    3.50    (#    316:20  Double Ambig)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1231,1232,1238,1239,1240,
 igr2=1245,1246,1245,1246,
 &end
#
#   80 MET  HA           81 PRO  HD-         3.50    (#    317:20  Unique         2.30, 2.42 A)
 &rst
  ixpk= 317, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:318     81 PRO  HD-         3.50    (#    318:20  Single Ambig)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1248,1249,1248,1249,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:319     81 PRO  HD-         2.80    (#    319:20  Single Ambig)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=1231,1232,1238,1239,1240,
 igr2=1245,1246,
 &end
#
#   24 ILE  HA           25 PRO  HD+         3.50    (#    320:20  Unique         2.01, 2.48 A)
 &rst
  ixpk= 320, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:321      0 AMB  20-1:321    3.50    (#    321:20  Double Ambig)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 454, 455, 396, 397,
 igr2= 393, 394, 393, 394,
 &end
#
#   28 GLU  HB-          25 PRO  HD+         5.50    (#    322:20  Unique         1.99, 4.98 A)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 451, 452,
 igr2= 393, 394,
 &end
#
#   25 PRO  HB-          25 PRO  HD+         4.50    (#    323:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 399, 400,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:324     25 PRO  HD-         5.50    (#    324:20  Single Ambig)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 386, 387, 388, 379, 380, 381,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:325      0 AMB  20-1:325    5.50    (#    325:20  Double Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 386, 387, 388, 379, 380, 381,
 igr2= 393, 394, 393, 394,
 &end
#
#    0 AMB  20-2:326      0 AMB  20-1:326    2.80    (#    326:20  Double Ambig)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 375, 594,
 igr2= 393, 394, 609, 610,
 &end
#
#    0 AMB  20-2:327      0 AMB  20-1:327    2.80    (#    327:20  Double Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 396, 397, 612, 613, 612, 613,
 igr2= 393, 394, 609, 610,
 &end
#
#    0 AMB  20-2:328     25 PRO  HD-         4.50    (#    328:20  Single Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 402, 158, 159, 158, 159,
 igr2= 393, 394,
 &end
#
#   39 ASP  HN           38 PRO  HD+         4.50    (#    329:20  Unique         2.68, 3.34 A)
 &rst
  ixpk= 329, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 609, 610,
 &end
#
#   37 VAL  HA           38 PRO  HD+         2.80    (#    330:20  Unique         2.02, 2.49 A)
 &rst
  ixpk= 330, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:331      0 AMB  20-1:331    2.80    (#    331:20  Double Ambig)
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 612, 613, 612, 613,
 igr2= 609, 610, 609, 610,
 &end
#
#    0 AMB  20-2:332     38 PRO  HD-         4.50    (#    332:20  Single Ambig)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 615, 616, 626, 627,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:333      0 AMB  20-1:333    3.50    (#    333:20  Double Ambig)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 865, 872,
 igr2= 867, 868, 867, 868,
 &end
#
#    0 AMB  20-2:334     55 GLY  HA-         3.50    (#    334:20  Single Ambig)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 865, 872,
 igr2= 867, 868,
 &end
#
#   58 LYS  HB+          55 GLY  HA-         4.50    (#    335:20  Unique         1.99, 3.75 A)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904,
 igr2= 867, 868,
 &end
#
#   85 GLY  HN           85 GLY  HA+         3.50    (#    336:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 336, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1320,1321,
 &end
#
#   85 GLY  HN           85 GLY  HA-         3.50    (#    337:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 337, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1320,1321,
 &end
#
#   85 GLY  HN           85 GLY  HA-         3.50    (#    338:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 338, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1320,1321,
 &end
#
#   73 GLY  HN           73 GLY  HA+         3.50    (#    339:20  Unique         2.29, 2.68 A)
 &rst
  ixpk= 339, nxpk= 20, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1133,1134,
 &end
#
#   74 GLY  HN            0 AMB  20-1:340    3.50    (#    340:20  Single Ambig)
 &rst
  ixpk= 340, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1133,1134, 808, 809,
 &end
#
#   51 GLY  HA+          73 GLY  HA-         4.50    (#    341:20  Unique         2.40, 5.26 A)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 808, 809,
 igr2=1133,1134,
 &end
#
#   74 GLY  HN           73 GLY  HA-         3.50    (#    342:20  Unique         2.14, 2.77 A)
 &rst
  ixpk= 342, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1133,1134,
 &end
#
#   73 GLY  HN           73 GLY  HA-         3.50    (#    343:20  Unique         2.29, 2.68 A)
 &rst
  ixpk= 343, nxpk= 20, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1133,1134,
 &end
#
#    0 AMB  20-2:344      0 AMB  20-1:344    3.50    (#    344:20  Double Ambig)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1116,1117, 796,
 igr2=1133,1134,1133,1134, 808, 809,
 &end
#
#    0 AMB  20-2:345      0 AMB  20-1:345    4.50    (#    345:20  Double Ambig)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1116,1117, 796,
 igr2= 808, 809, 808, 809,
 &end
#
#   20 GLY  HN           20 GLY  HA+         4.50    (#    347:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 347, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 325, 326,
 &end
#
#   20 GLY  HN           20 GLY  HA-         4.50    (#    348:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 348, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 325, 326,
 &end
#
#   20 GLY  HN           20 GLY  HA-         4.50    (#    349:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 325, 326,
 &end
#
#   65 GLY  HN           65 GLY  HA+         3.50    (#    350:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 350, nxpk= 20, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1019,1020,
 &end
#
#   65 GLY  HN           65 GLY  HA-         3.50    (#    351:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 351, nxpk= 20, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1019,1020,
 &end
#
#   65 GLY  HN           65 GLY  HA-         3.50    (#    352:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 352, nxpk= 20, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1019,1020,
 &end
#
#   74 GLY  HN           74 GLY  HA+         4.50    (#    353:20  Unique         2.30, 2.73 A)
 &rst
  ixpk= 353, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1140,1141,
 &end
#
#   75 LEU  HN           74 GLY  HA+         3.50    (#    354:20  Unique         2.14, 2.66 A)
 &rst
  ixpk= 354, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1140,1141,
 &end
#
#   74 GLY  HN           74 GLY  HA-         3.50    (#    355:20  Unique         2.30, 2.73 A)
 &rst
  ixpk= 355, nxpk= 20, iat=1138,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1140,1141,
 &end
#
#   75 LEU  HN           74 GLY  HA-         3.50    (#    356:20  Unique         2.14, 2.66 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:358      0 AMB  20-1:358    4.50    (#    358:20  Double Ambig)
 &rst
  ixpk= 358, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 190, 191, 121, 122,
 igr2= 127, 128, 127, 128,
 &end
#
#   12 GLN  HB-           8 ARG  HD+         3.50    (#    359:20  Unique         1.99, 3.42 A)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 190, 191,
 igr2= 127, 128,
 &end
#
#   12 GLN  HB-           8 ARG  HD-         3.50    (#    360:20  Unique         1.99, 3.42 A)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 190, 191,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:361      8 ARG  HD-         4.50    (#    361:20  Single Ambig)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 124, 125, 124, 125,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:362      0 AMB  20-1:362    4.50    (#    362:20  Double Ambig)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 451, 452, 454, 455,
 igr2= 525, 526, 525, 526,
 &end
#
#    0 AMB  20-2:363      0 AMB  20-1:363    3.50    (#    363:20  Double Ambig)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 519, 520, 522, 523,
 igr2= 525, 526, 525, 526,
 &end
#
#    0 AMB  20-2:364      0 AMB  20-1:364    4.50    (#    364:20  Double Ambig)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 525, 526, 525, 526,
 &end
#
#    0 AMB  20-2:365      0 AMB  20-1:365    3.50    (#    365:20  Double Ambig)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 519, 520, 522, 523,
 igr2= 525, 526, 525, 526,
 &end
#
#    0 AMB  20-2:366     32 ARG  HD-         4.50    (#    366:20  Single Ambig)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 451, 452, 454, 455,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:367     32 ARG  HD-         3.50    (#    367:20  Single Ambig)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 519, 520, 522, 523,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:368     32 ARG  HD-         3.50    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 519, 520, 522, 523,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:369     32 ARG  HD-         4.50    (#    369:20  Single Ambig)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:370      0 AMB  20-1:370    4.50    (#    370:20  Double Ambig)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 130,  89,
 igr2=  93,  94,  93,  94,
 &end
#
#    0 AMB  20-2:371      6 ASP  HB-         3.50    (#    371:20  Single Ambig)
 &rst
  ixpk= 371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 130,  89,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:372      6 ASP  HB-         4.50    (#    372:20  Single Ambig)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 361,  72,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:373      6 ASP  HB-         4.50    (#    373:20  Single Ambig)
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  91, 775, 776,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:374      6 ASP  HB-         4.50    (#    374:20  Single Ambig)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 124, 125, 124, 125,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:375      0 AMB  20-1:375    4.50    (#    375:20  Double Ambig)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 361,  72,
 igr2=  93,  94,  93,  94,
 &end
#
#   47 TYR  HA           47 TYR  HB+         3.50    (#    376:20  Unique         2.24, 2.54 A)
 &rst
  ixpk= 376, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 754, 755,
 &end
#
#    0 AMB  20-2:377      0 AMB  20-1:377    3.50    (#    377:20  Double Ambig)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 817, 818, 817, 818, 817, 818,
 igr2= 823, 824, 823, 824, 823, 824,
 &end
#
#    0 AMB  20-2:378      0 AMB  20-1:378    2.80    (#    378:20  Double Ambig)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 820, 821, 820, 821,
 igr2= 823, 824, 823, 824,
 &end
#
#   47 TYR  HA           47 TYR  HB-         3.50    (#    379:20  Unique         2.24, 2.54 A)
 &rst
  ixpk= 379, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 754, 755,
 &end
#
#   48 CYS  HN           47 TYR  HB+         4.50    (#    380:20  Unique         2.46, 3.63 A)
 &rst
  ixpk= 380, nxpk= 20, iat= 771,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 754, 755,
 &end
#
#   78 ILE  QD1          47 TYR  HB+         4.50    (#    381:20  Unique         2.19, 4.06 A)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1211,1212,1213,
 igr2= 754, 755,
 &end
#
#   72 ALA  MB           47 TYR  HB-         3.50    (#    382:20  Unique         2.00, 4.20 A)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1125,1126,1127,
 igr2= 754, 755,
 &end
#
#   78 ILE  QD1          47 TYR  HB-         3.50    (#    383:20  Unique         2.19, 4.06 A)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1211,1212,1213,
 igr2= 754, 755,
 &end
#
#    0 AMB  20-2:385      0 AMB  20-1:385    2.80    (#    385:20  Double Ambig)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1265,1266,1268,1269,
 igr2=1271,1272,1271,1272,
 &end
#
#   82 LYS  HG-          82 LYS  HE+         5.50    (#    386:20  Unique         2.04, 2.97 A)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1265,1266,
 igr2=1271,1272,
 &end
#
#   82 LYS  HG-          82 LYS  HE-         4.50    (#    387:20  Unique         2.04, 2.97 A)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1265,1266,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:389     82 LYS  HE-         3.50    (#    389:20  Single Ambig)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1=1202,1268,1269,1262,1263,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:390     82 LYS  HE-         3.50    (#    390:20  Single Ambig)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 igr2=1271,1272,
 &end
#
#   27 LYS  HN           26 LEU  HB+         3.50    (#    391:20  Unique         2.68, 3.46 A)
 &rst
  ixpk= 391, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#   26 LEU  HG           26 LEU  HB+         3.50    (#    392:20  Unique         2.31, 2.78 A)
 &rst
  ixpk= 392, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#   26 LEU  HG           26 LEU  HB-         3.50    (#    394:20  Unique         2.31, 2.78 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#   76 LYS  HN           75 LEU  HB+         4.50    (#    396:20  Unique         1.95, 3.27 A)
 &rst
  ixpk= 396, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1149,1150,
 &end
#
#   75 LEU  HN           75 LEU  HB+         4.50    (#    397:20  Unique         2.04, 2.64 A)
 &rst
  ixpk= 397, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1149,1150,
 &end
#
#   75 LEU  HG           75 LEU  HB+         3.50    (#    398:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 398, nxpk= 20, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1149,1150,
 &end
#
#   26 LEU  HN           26 LEU  HB+         3.50    (#    399:20  Unique         2.29, 2.57 A)
 &rst
  ixpk= 399, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:400      0 AMB  20-1:400    3.50    (#    400:20  Double Ambig)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 408, 891,
 igr2= 410, 411, 410, 411,
 &end
#
#    0 AMB  20-2:401      0 AMB  20-1:401    3.50    (#    401:20  Double Ambig)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
       420, 421,
 igr2= 410, 411, 410, 411,
 &end
#
#   75 LEU  HN           75 LEU  HB-         3.50    (#    402:20  Unique         2.04, 2.64 A)
 &rst
  ixpk= 402, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1149,1150,
 &end
#
#   75 LEU  HA           75 LEU  HB-         4.50    (#    403:20  Unique         2.34, 2.79 A)
 &rst
  ixpk= 403, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1149,1150,
 &end
#
#   75 LEU  HG           75 LEU  HB-         3.50    (#    404:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 404, nxpk= 20, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1149,1150,
 &end
#
#    0 AMB  20-2:405     75 LEU  HB-         4.50    (#    405:20  Single Ambig)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 igr2=1149,1150,
 &end
#
#   26 LEU  HN           26 LEU  HB-         3.50    (#    406:20  Unique         2.29, 2.57 A)
 &rst
  ixpk= 406, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:407     26 LEU  HB-         3.50    (#    407:20  Single Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 408, 891,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:408     26 LEU  HB-         4.50    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 844, 845, 105,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:409     26 LEU  HB-         3.50    (#    409:20  Single Ambig)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
       420, 421,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:410      0 AMB  20-1:410    2.80    (#    410:20  Double Ambig)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 641, 642, 641, 642, 644, 645,
 igr2= 647, 648, 647, 648, 647, 648,
 &end
#
#   40 LYS  HG-           0 AMB  20-1:411    3.50    (#    411:20  Single Ambig)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 641, 642,
 igr2= 647, 648, 647, 648,
 &end
#
#   43 THR  MG2          45 LYS  HE+         4.50    (#    412:20  Unique         2.05, 4.56 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690,
 igr2= 725, 726,
 &end
#
#   45 LYS  HD+          45 LYS  HE+         4.50    (#    413:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 722, 723,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:414      0 AMB  20-1:414    3.50    (#    414:20  Double Ambig)
 &rst
  ixpk= 414, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 719, 720, 722, 723,
 igr2= 725, 726, 725, 726,
 &end
#
#   45 LYS  HG-          45 LYS  HE+         4.50    (#    415:20  Unique         2.00, 2.96 A)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 719, 720,
 igr2= 725, 726,
 &end
#
#   43 THR  MG2          45 LYS  HE-         3.50    (#    416:20  Unique         2.05, 4.56 A)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 688, 689, 690,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:417     45 LYS  HE-         3.50    (#    417:20  Single Ambig)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 719, 720, 722, 723,
 igr2= 725, 726,
 &end
#
#   45 LYS  HG-          45 LYS  HE-         4.50    (#    418:20  Unique         2.00, 2.96 A)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 719, 720,
 igr2= 725, 726,
 &end
#
#   58 LYS  HD+          58 LYS  HE+         4.50    (#    419:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 909, 910,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:420      0 AMB  20-1:420    4.50    (#    420:20  Double Ambig)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 909, 910, 903, 904,
 igr2= 912, 913, 912, 913,
 &end
#
#    0 AMB  20-2:421      0 AMB  20-1:421    3.50    (#    421:20  Double Ambig)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 906, 907, 906, 907,
 igr2= 912, 913, 912, 913,
 &end
#
#    0 AMB  20-2:422     58 LYS  HE-         4.50    (#    422:20  Single Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 909, 910, 903, 904,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:424      0 AMB  20-1:424    2.80    (#    424:20  Double Ambig)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1= 482, 483,1174,1175,1174,1175,1174,1175, 909, 910,
       488, 489, 488, 489, 488, 489,
 igr2= 491, 492, 491, 492,1177,1178,1177,1178,1177,1178,
       912, 913, 491, 492, 491, 492,
 &end
#
#    0 AMB  20-2:425      0 AMB  20-1:425    3.50    (#    425:20  Double Ambig)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.44, r4= 9.19,
 igr1= 488, 489, 488, 489, 488, 489,1300,1301,1306,1307,
      1306,1307,1306,1307,
 igr2= 491, 492, 491, 492, 491, 492,1309,1310,1309,1310,
      1309,1310,1309,1310,
 &end
#
#   77 ASP  HN           77 ASP  HB+         4.50    (#    426:20  Unique         2.07, 2.99 A)
 &rst
  ixpk= 426, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1190,1191,
 &end
#
#    0 AMB  20-2:427      0 AMB  20-1:427    3.50    (#    427:20  Double Ambig)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1188, 260,
 igr2=1190,1191,1309,1310,1309,1310,
 &end
#
#    0 AMB  20-2:428      0 AMB  20-1:428    3.50    (#    428:20  Double Ambig)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1303,1304,1303,1304,1303,1304,
 igr2=1309,1310,1309,1310,1309,1310,
 &end
#
#   77 ASP  HN           77 ASP  HB-         3.50    (#    429:20  Unique         2.07, 2.99 A)
 &rst
  ixpk= 429, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1190,1191,
 &end
#
#   77 ASP  HA           77 ASP  HB-         3.50    (#    430:20  Unique         2.39, 2.81 A)
 &rst
  ixpk= 430, nxpk= 20, iat=1188,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1190,1191,
 &end
#
#   42 ASP  HN           42 ASP  HB-         4.50    (#    432:20  Unique         2.10, 3.06 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 674, 675,
 &end
#
#   42 ASP  HA           42 ASP  HB-         3.50    (#    433:20  Unique         2.35, 2.77 A)
 &rst
  ixpk= 433, nxpk= 20, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 674, 675,
 &end
#
#   42 ASP  HN            0 AMB  20-1:434    3.50    (#    434:20  Single Ambig)
 &rst
  ixpk= 434, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 626, 627, 674, 675,
 &end
#
#   37 VAL  MGY           0 AMB  20-1:435    3.50    (#    435:20  Single Ambig)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 626, 627, 674, 675,
 &end
#
#   39 ASP  HN           39 ASP  HB+         3.50    (#    436:20  Unique         2.17, 2.94 A)
 &rst
  ixpk= 436, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 626, 627,
 &end
#
#   39 ASP  HA           39 ASP  HB+         3.50    (#    437:20  Unique         2.35, 2.80 A)
 &rst
  ixpk= 437, nxpk= 20, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 626, 627,
 &end
#
#    3 HIS  HD2          42 ASP  HB-         4.50    (#    438:20  Unique         3.57, 5.06 A)
 &rst
  ixpk= 438, nxpk= 20, iat=  42,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 674, 675,
 &end
#
#   37 VAL  MGY          42 ASP  HB-         4.50    (#    439:20  Unique         2.95, 5.54 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 674, 675,
 &end
#
#   43 THR  HN           42 ASP  HB-         3.50    (#    440:20  Unique         1.95, 3.33 A)
 &rst
  ixpk= 440, nxpk= 20, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 674, 675,
 &end
#
#   39 ASP  HN           39 ASP  HB-         3.50    (#    441:20  Unique         2.17, 2.94 A)
 &rst
  ixpk= 441, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 626, 627,
 &end
#
#   39 ASP  HA           39 ASP  HB-         3.50    (#    442:20  Unique         2.35, 2.80 A)
 &rst
  ixpk= 442, nxpk= 20, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 626, 627,
 &end
#
#   61 LEU  HN           61 LEU  HB+         3.50    (#    443:20  Unique         2.09, 2.87 A)
 &rst
  ixpk= 443, nxpk= 20, iat= 955,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:444      0 AMB  20-1:444    4.50    (#    444:20  Double Ambig)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 957, 978, 979, 978, 979,
 igr2= 959, 960, 959, 960, 959, 960,
 &end
#
#   61 LEU  HG           61 LEU  HB+         3.50    (#    445:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 445, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:446      0 AMB  20-1:446    3.50    (#    446:20  Double Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 igr2= 959, 960, 959, 960,
 &end
#
#   61 LEU  HN           61 LEU  HB-         4.50    (#    447:20  Unique         2.09, 2.87 A)
 &rst
  ixpk= 447, nxpk= 20, iat= 955,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:448     61 LEU  HB-         3.50    (#    448:20  Single Ambig)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 957, 978, 979, 978, 979,
 igr2= 959, 960,
 &end
#
#   66 TYR  HB-          61 LEU  HB-         3.50    (#    449:20  Unique         1.99, 4.53 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#   61 LEU  HG           61 LEU  HB-         4.50    (#    450:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 450, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:451     61 LEU  HB-         3.50    (#    451:20  Single Ambig)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:452     61 LEU  HB-         3.50    (#    452:20  Single Ambig)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 igr2= 959, 960,
 &end
#
#   23 ASN  HN           22 ILE  HB          4.50    (#    453:20  Unique         3.71, 4.03 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 359, 344, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ILE  HA           22 ILE  HB          3.50    (#    454:20  Unique         2.49, 2.52 A)
 &rst
  ixpk= 454, nxpk= 20, iat= 342, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HG1+         22 ILE  HB          3.50    (#    455:20  Unique         2.45, 2.81 A)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 350, 351,
 &end
#
#   22 ILE  HN           22 ILE  HB          3.50    (#    456:20  Unique         2.37, 2.81 A)
 &rst
  ixpk= 456, nxpk= 20, iat= 340, 344, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HG1-         22 ILE  HB          3.50    (#    457:20  Unique         2.45, 2.81 A)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1, 344, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 350, 351,
 &end
#
#   49 ASN  HN           48 CYS  HB+         4.50    (#    458:20  Unique         1.91, 2.77 A)
 &rst
  ixpk= 458, nxpk= 20, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 775, 776,
 &end
#
#    7 VAL  MGX          48 CYS  HB-         4.50    (#    459:20  Unique         1.99, 5.56 A)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 775, 776,
 &end
#
#    7 VAL  MGX          48 CYS  HB+         4.50    (#    461:20  Unique         1.99, 5.56 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 775, 776,
 &end
#
#   49 ASN  HN           48 CYS  HB-         3.50    (#    463:20  Unique         1.91, 2.77 A)
 &rst
  ixpk= 463, nxpk= 20, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 775, 776,
 &end
#
#    0 AMB  20-2:464     48 CYS  HB-         5.50    (#    464:20  Single Ambig)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 190, 191, 399, 400,
 igr2= 775, 776,
 &end
#
#   41 ASN  HN           41 ASN  HB+         4.50    (#    465:20  Unique         2.14, 3.10 A)
 &rst
  ixpk= 465, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 660, 661,
 &end
#
#   41 ASN  HD2+         41 ASN  HB+         4.50    (#    466:20  Unique         2.12, 3.22 A)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 665, 666,
 igr2= 660, 661,
 &end
#
#   41 ASN  HA           41 ASN  HB+         3.50    (#    467:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 660, 661,
 &end
#
#   41 ASN  HN           41 ASN  HB-         3.50    (#    468:20  Unique         2.14, 3.10 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 660, 661,
 &end
#
#   41 ASN  HD2+         41 ASN  HB-         3.50    (#    469:20  Unique         2.12, 3.22 A)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 665, 666,
 igr2= 660, 661,
 &end
#
#   41 ASN  HA           41 ASN  HB-         3.50    (#    470:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 470, nxpk= 20, iat= 658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 660, 661,
 &end
#
#    0 AMB  20-2:471      0 AMB  20-1:471    2.80    (#    471:20  Double Ambig)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 702, 703, 704, 706, 707, 708, 949, 950, 951,
 igr2=  74, 940,
 &end
#
#    0 AMB  20-2:472     48 CYS  HB-         4.50    (#    472:20  Single Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 738, 800, 801, 802, 410, 411,
 igr2= 775, 776,
 &end
#
#   78 ILE  HG1-         78 ILE  HB          3.50    (#    473:20  Unique         2.43, 2.78 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#   78 ILE  HN           78 ILE  HB          3.50    (#    474:20  Unique         2.51, 2.59 A)
 &rst
  ixpk= 474, nxpk= 20, iat=1198,1202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  QD1          78 ILE  HB          3.50    (#    475:20  Unique         2.03, 3.04 A)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1211,1212,1213,
 &end
#
#   60 ILE  HN           60 ILE  HB          3.50    (#    476:20  Unique         3.60, 3.61 A)
 &rst
  ixpk= 476, nxpk= 20, iat= 936, 940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 ILE  HA           60 ILE  HB          4.50    (#    477:20  Unique         2.37, 2.45 A)
 &rst
  ixpk= 477, nxpk= 20, iat= 938, 940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 ILE  HN            5 ILE  HB          3.50    (#    478:20  Unique         2.55, 2.60 A)
 &rst
  ixpk= 478, nxpk= 20, iat=  70,  74, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 VAL  HA            5 ILE  HB          4.50    (#    479:20  Unique         3.96, 4.35 A)
 &rst
  ixpk= 479, nxpk= 20, iat= 736,  74, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:480      0 AMB  20-1:480    2.80    (#    480:20  Double Ambig)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 946, 947,  80,  81,  80,  81,
 igr2= 940,  74,
 &end
#
#    0 AMB  20-2:481      0 AMB  20-1:481    2.80    (#    481:20  Double Ambig)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  76,  77,  78, 942, 943, 944,
 igr2=  74, 940,
 &end
#
#   78 ILE  QG2          78 ILE  HB          2.80    (#    482:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1204,1205,1206,
 &end
#
#    0 AMB  20-2:483     78 ILE  HB          4.50    (#    483:20  Single Ambig)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1208,1209,1265,1266,
 &end
#
#   49 ASN  HD2-         49 ASN  HB+         3.50    (#    484:20  Unique         2.45, 3.48 A)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 791, 792,
 igr2= 786, 787,
 &end
#
#   49 ASN  HN           49 ASN  HB+         4.50    (#    485:20  Unique         2.10, 2.64 A)
 &rst
  ixpk= 485, nxpk= 20, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 786, 787,
 &end
#
#   49 ASN  HA           49 ASN  HB+         3.50    (#    486:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 486, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 786, 787,
 &end
#
#   49 ASN  HA           49 ASN  HB-         3.50    (#    487:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 487, nxpk= 20, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 786, 787,
 &end
#
#   49 ASN  HD2-         49 ASN  HB-         3.50    (#    488:20  Unique         2.45, 3.48 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 791, 792,
 igr2= 786, 787,
 &end
#
#   24 ILE  HN           24 ILE  HB          4.50    (#    489:20  Unique         2.74, 2.86 A)
 &rst
  ixpk= 489, nxpk= 20, iat= 373, 377, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 ILE  HG1-         24 ILE  HB          3.50    (#    490:20  Unique         2.41, 2.75 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 383, 384,
 &end
#
#    0 AMB  20-2:491     24 ILE  HB          3.50    (#    491:20  Single Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 383, 384, 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:492     24 ILE  HB          2.80    (#    492:20  Single Ambig)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=  76,  77,  78, 379, 380, 381, 386, 387, 388,
 &end
#
#    0 AMB  20-2:493     24 ILE  HB          4.50    (#    493:20  Single Ambig)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 519, 520, 522, 523, 344,  74,
 &end
#
#   23 ASN  HN           23 ASN  HB+         3.50    (#    494:20  Unique         2.23, 2.66 A)
 &rst
  ixpk= 494, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 363, 364,
 &end
#
#   23 ASN  HN           23 ASN  HB-         4.50    (#    495:20  Unique         2.23, 2.66 A)
 &rst
  ixpk= 495, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 363, 364,
 &end
#
#   23 ASN  HA           23 ASN  HB-         4.50    (#    496:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 496, nxpk= 20, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 363, 364,
 &end
#
#   33 ILE  HA           33 ILE  HB          2.80    (#    497:20  Unique         2.45, 2.51 A)
 &rst
  ixpk= 497, nxpk= 20, iat= 541, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 ILE  HN           33 ILE  HB          2.80    (#    498:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 498, nxpk= 20, iat= 539, 543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 ILE  HG1-         33 ILE  HB          3.50    (#    499:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#   33 ILE  QD1          33 ILE  HB          2.80    (#    500:20  Unique         2.30, 3.06 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 552, 553, 554,
 &end
#
#   33 ILE  QG2          33 ILE  HB          2.80    (#    501:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 545, 546, 547,
 &end
#
#   14 GLN  HN           13 TYR  HB+         4.50    (#    502:20  Unique         2.43, 3.30 A)
 &rst
  ixpk= 502, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   12 GLN  HN           13 TYR  HB+         4.50    (#    503:20  Unique         3.98, 4.50 A)
 &rst
  ixpk= 503, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   10 PRO  HA           13 TYR  HB+         4.50    (#    504:20  Unique         2.50, 3.07 A)
 &rst
  ixpk= 504, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:505     13 TYR  HB-         3.50    (#    505:20  Single Ambig)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 368, 369, 203,
 igr2= 207, 208,
 &end
#
#   13 TYR  HA           13 TYR  HB-         3.50    (#    506:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 506, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 207, 208,
 &end
#
#   71 ASN  HN           71 ASN  HB+         3.50    (#    507:20  Unique         2.17, 2.61 A)
 &rst
  ixpk= 507, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1111,1112,
 &end
#
#   71 ASN  HA           71 ASN  HB+         4.50    (#    508:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 508, nxpk= 20, iat=1109,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1111,1112,
 &end
#
#   71 ASN  HD2+         71 ASN  HB+         4.50    (#    509:20  Unique         2.16, 3.49 A)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1116,1117,
 igr2=1111,1112,
 &end
#
#   71 ASN  HA           71 ASN  HB-         4.50    (#    510:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 510, nxpk= 20, iat=1109,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1111,1112,
 &end
#
#   16 GLU  HA           16 GLU  HG+         4.50    (#    511:20  Unique         2.10, 3.18 A)
 &rst
  ixpk= 511, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:512      0 AMB  20-1:512    3.50    (#    512:20  Double Ambig)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1262,1263,1303,1304,1303,1304,
 igr2= 265, 266, 265, 266, 265, 266,
 &end
#
#    0 AMB  20-2:513     16 GLU  HG-         3.50    (#    513:20  Single Ambig)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1262,1263,1303,1304,1303,1304,
 igr2= 265, 266,
 &end
#
#   16 GLU  HA           16 GLU  HG-         4.50    (#    514:20  Unique         2.10, 3.18 A)
 &rst
  ixpk= 514, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:516      0 AMB  20-1:516    2.80    (#    516:20  Double Ambig)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1= 262, 263,  18,  19,  18,  19,  18,  19,
 igr2= 265, 266,  21,  22,  21,  22,  21,  22,
 &end
#
#    0 AMB  20-2:517      0 AMB  20-1:517    2.80    (#    517:20  Double Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 262, 263, 245, 246, 245, 246,
 igr2= 265, 266, 265, 266, 265, 266,
 &end
#
#    0 AMB  20-2:518      0 AMB  20-1:518    3.50    (#    518:20  Double Ambig)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 173, 987,
 igr2= 178, 179, 178, 179, 992, 993,
 &end
#
#    0 AMB  20-2:519      0 AMB  20-1:519    2.80    (#    519:20  Double Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 175, 176, 175, 176, 175, 176,
 igr2= 178, 179, 178, 179, 178, 179,
 &end
#
#   31 GLU  HA            0 AMB  20-1:520    3.50    (#    520:20  Single Ambig)
 &rst
  ixpk= 520, nxpk= 20, iat= 502,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 507, 508, 507, 508,
 &end
#
#    0 AMB  20-2:521      0 AMB  20-1:521    2.80    (#    521:20  Double Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 504, 505, 504, 505, 504, 505,
 igr2= 507, 508, 507, 508, 507, 508,
 &end
#
#   31 GLU  HA            0 AMB  20-1:522    4.50    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat= 502,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 507, 508, 507, 508,
 &end
#
#   28 GLU  HN           28 GLU  HG+         5.50    (#    523:20  Unique         2.35, 3.07 A)
 &rst
  ixpk= 523, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 454, 455,
 &end
#
#   28 GLU  HA           28 GLU  HG+         3.50    (#    524:20  Unique         2.68, 3.57 A)
 &rst
  ixpk= 524, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:525      0 AMB  20-1:525    3.50    (#    525:20  Double Ambig)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 451, 452, 429, 430,
 igr2= 454, 455, 454, 455,
 &end
#
#   28 GLU  HN           28 GLU  HG-         4.50    (#    526:20  Unique         2.35, 3.07 A)
 &rst
  ixpk= 526, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 454, 455,
 &end
#
#   28 GLU  HA           28 GLU  HG-         3.50    (#    527:20  Unique         2.68, 3.57 A)
 &rst
  ixpk= 527, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:529      0 AMB  20-1:529    3.50    (#    529:20  Double Ambig)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 976,1026,
 igr2=1028,1029,1028,1029,
 &end
#
#    0 AMB  20-2:531      0 AMB  20-1:531    2.80    (#    531:20  Double Ambig)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 923, 987,
 igr2= 928, 929, 992, 993,
 &end
#
#   66 TYR  HN           66 TYR  HB+         4.50    (#    532:20  Unique         2.58, 3.20 A)
 &rst
  ixpk= 532, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1028,1029,
 &end
#
#   68 HIS  HD2          66 TYR  HB+         4.50    (#    533:20  Unique         3.79, 5.24 A)
 &rst
  ixpk= 533, nxpk= 20, iat=1072,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1028,1029,
 &end
#
#   61 LEU  HB-          66 TYR  HB+         4.50    (#    534:20  Unique         1.99, 4.53 A)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 959, 960,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:535      0 AMB  20-1:535    4.50    (#    535:20  Double Ambig)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2=1028,1029,1028,1029,
 &end
#
#   66 TYR  HN           66 TYR  HB-         3.50    (#    536:20  Unique         2.58, 3.20 A)
 &rst
  ixpk= 536, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:537     66 TYR  HB-         4.50    (#    537:20  Single Ambig)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 976,1026,
 igr2=1028,1029,
 &end
#
#   61 LEU  HB-          66 TYR  HB-         3.50    (#    538:20  Unique         1.99, 4.53 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 959, 960,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:539     66 TYR  HB-         3.50    (#    539:20  Single Ambig)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2=1028,1029,
 &end
#
#   63 GLU  HA           63 GLU  HG+         3.50    (#    540:20  Unique         2.20, 2.69 A)
 &rst
  ixpk= 540, nxpk= 20, iat= 987,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 992, 993,
 &end
#
#   59 GLU  HN           59 GLU  HG+         3.50    (#    541:20  Unique         1.94, 3.40 A)
 &rst
  ixpk= 541, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 928, 929,
 &end
#
#   59 GLU  HN           59 GLU  HG-         4.50    (#    542:20  Unique         1.94, 3.40 A)
 &rst
  ixpk= 542, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 928, 929,
 &end
#
#    0 AMB  20-2:543      0 AMB  20-1:543    4.50    (#    543:20  Double Ambig)
 &rst
  ixpk= 543, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1260, 260,
 igr2=1262,1263,1262,1263,
 &end
#
#   82 LYS  HG-          82 LYS  HB+         3.50    (#    544:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1265,1266,
 igr2=1262,1263,
 &end
#
#    0 AMB  20-2:545     82 LYS  HB-         5.50    (#    545:20  Single Ambig)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1260, 260,
 igr2=1262,1263,
 &end
#
#   82 LYS  HG-          82 LYS  HB-         4.50    (#    546:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1265,1266,
 igr2=1262,1263,
 &end
#
#   82 LYS  HN           82 LYS  HB-         5.50    (#    547:20  Unique         2.46, 3.52 A)
 &rst
  ixpk= 547, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1262,1263,
 &end
#
#   70 GLU  HA            0 AMB  20-1:548    4.50    (#    548:20  Single Ambig)
 &rst
  ixpk= 548, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:549      0 AMB  20-1:549    2.80    (#    549:20  Double Ambig)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1096,1097,1096,1097,
 igr2=1099,1100,1099,1100,
 &end
#
#   70 GLU  HB-           0 AMB  20-1:550    2.80    (#    550:20  Single Ambig)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1096,1097,
 igr2=1099,1100,1099,1100,
 &end
#
#   81 PRO  HD-          80 MET  HB+         3.50    (#    551:20  Unique         1.96, 3.42 A)
 &rst
  ixpk= 551, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1245,1246,
 igr2=1231,1232,
 &end
#
#   80 MET  HG+          80 MET  HB+         4.50    (#    552:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1234,1235,
 igr2=1231,1232,
 &end
#
#   18 VAL  MGX          80 MET  HB+         3.50    (#    553:20  Unique         2.61, 5.26 A)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1231,1232,
 &end
#
#    0 AMB  20-2:554     80 MET  HB-         4.50    (#    554:20  Single Ambig)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1231,1232,
 &end
#
#   80 MET  HA           80 MET  HB+         4.50    (#    555:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 555, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1231,1232,
 &end
#
#   53 GLN  HN           53 GLN  HG+         3.50    (#    556:20  Unique         2.68, 3.79 A)
 &rst
  ixpk= 556, nxpk= 20, iat= 837,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:557      0 AMB  20-1:557    3.50    (#    557:20  Double Ambig)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 399, 400, 876, 877,
 igr2= 844, 845, 844, 845,
 &end
#
#    9 VAL  HA           53 GLN  HG+         4.50    (#    558:20  Unique         3.57, 4.08 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 844, 845,
 &end
#
#   49 ASN  HB-          53 GLN  HG+         5.50    (#    559:20  Unique         5.97, 7.31 A)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 786, 787,
 igr2= 844, 845,
 &end
#
#    9 VAL  HA           53 GLN  HG-         4.50    (#    560:20  Unique         3.57, 4.08 A)
 &rst
  ixpk= 560, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 844, 845,
 &end
#
#   26 LEU  MDX          53 GLN  HG-         3.50    (#    561:20  Unique         2.24, 5.42 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 844, 845,
 &end
#
#   64 MET  HA           64 MET  HB+         3.50    (#    562:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 562, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1004,1005,
 &end
#
#   64 MET  HG+          64 MET  HB+         3.50    (#    563:20  Unique         2.20, 2.63 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1007,1008,
 igr2=1004,1005,
 &end
#
#    0 AMB  20-2:564      0 AMB  20-1:564    3.50    (#    564:20  Double Ambig)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1007,1008, 786, 787,
 igr2=1004,1005, 193, 194,
 &end
#
#   12 GLN  HA           12 GLN  HG+         3.50    (#    565:20  Unique         2.28, 3.08 A)
 &rst
  ixpk= 565, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 193, 194,
 &end
#
#    0 AMB  20-2:566      0 AMB  20-1:566    3.50    (#    566:20  Double Ambig)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1000, 198, 199,
 igr2=1004,1005, 193, 194,
 &end
#
#    0 AMB  20-2:567     84 LYS  HB-         2.80    (#    567:20  Single Ambig)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1303,1304,1303,1304,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:568      0 AMB  20-1:568    3.50    (#    568:20  Double Ambig)
 &rst
  ixpk= 568, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 245, 246, 245, 246, 190, 191,
 igr2= 193, 194, 193, 194, 193, 194,
 &end
#
#    9 VAL  MGX          12 GLN  HG+         4.50    (#    569:20  Unique         2.05, 4.67 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 193, 194,
 &end
#
#   12 GLN  HB-          12 GLN  HG+         3.50    (#    570:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 190, 191,
 igr2= 193, 194,
 &end
#
#    9 VAL  MGX          12 GLN  HG-         3.50    (#    571:20  Unique         2.05, 4.67 A)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 193, 194,
 &end
#
#   84 LYS  HN           84 LYS  HB+         4.50    (#    572:20  Unique         2.18, 2.90 A)
 &rst
  ixpk= 572, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1300,1301,
 &end
#
#   84 LYS  HA           84 LYS  HB+         3.50    (#    573:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 573, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:574      0 AMB  20-1:574    3.50    (#    574:20  Double Ambig)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1303,1304,1303,1304,
 igr2=1300,1301,1300,1301,
 &end
#
#   84 LYS  HN           84 LYS  HB-         3.50    (#    575:20  Unique         2.18, 2.90 A)
 &rst
  ixpk= 575, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#   84 LYS  HA           84 LYS  HB-         4.50    (#    576:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 576, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:577     83 VAL  HB          4.50    (#    577:20  Single Ambig)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1280, 283,
 &end
#
#   84 LYS  HN           83 VAL  HB          3.50    (#    578:20  Unique         2.33, 2.93 A)
 &rst
  ixpk= 578, nxpk= 20, iat=1296,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 VAL  HA           83 VAL  HB          3.50    (#    579:20  Unique         2.42, 2.50 A)
 &rst
  ixpk= 579, nxpk= 20, iat=1282,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 VAL  MGY          83 VAL  HB          3.50    (#    580:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  MGX          83 VAL  HB          3.50    (#    581:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   56 GLN  HA            0 AMB  20-1:582    3.50    (#    582:20  Single Ambig)
 &rst
  ixpk= 582, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 879, 880, 879, 880,
 &end
#
#   56 GLN  HB-           0 AMB  20-1:583    2.80    (#    583:20  Single Ambig)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 876, 877,
 igr2= 879, 880, 879, 880,
 &end
#
#    0 AMB  20-2:584      0 AMB  20-1:584    2.80    (#    584:20  Double Ambig)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 884, 885, 884, 885, 872,
 igr2= 879, 880, 879, 880, 879, 880,
 &end
#
#   44 VAL  HN           44 VAL  HB          3.50    (#    585:20  Unique         2.53, 2.70 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 696, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 VAL  HA           44 VAL  HB          3.50    (#    586:20  Unique         2.75, 3.23 A)
 &rst
  ixpk= 586, nxpk= 20, iat=1078, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:587     44 VAL  HB          2.80    (#    587:20  Single Ambig)
 &rst
  ixpk= 587, nxpk= 20, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  MGX          44 VAL  HB          2.80    (#    588:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:589     46 VAL  HB          3.50    (#    589:20  Single Ambig)
 &rst
  ixpk= 589, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 750, 734,
 &end
#
#   46 VAL  HA           46 VAL  HB          3.50    (#    590:20  Unique         2.44, 2.50 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 736, 738, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  MGY          46 VAL  HB          3.50    (#    591:20  Unique         2.00, 3.52 A)
 &rst
  ixpk= 591, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   15 GLN  HA           15 GLN  HG-         3.50    (#    592:20  Unique         2.03, 3.07 A)
 &rst
  ixpk= 592, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 248, 249,
 &end
#
#    0 AMB  20-2:593     15 GLN  HG-         2.80    (#    593:20  Single Ambig)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 190, 191, 245, 246, 245, 246,
 igr2= 248, 249,
 &end
#
#    0 AMB  20-2:594     46 VAL  HB          3.50    (#    594:20  Single Ambig)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 856, 858, 859,
 &end
#
#   15 GLN  HN           15 GLN  HG+         4.50    (#    595:20  Unique         2.41, 3.57 A)
 &rst
  ixpk= 595, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 248, 249,
 &end
#
#    0 AMB  20-2:596      0 AMB  20-1:596    3.50    (#    596:20  Double Ambig)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 190, 191, 245, 246, 245, 246,
 igr2= 248, 249, 248, 249, 248, 249,
 &end
#
#   14 GLN  HN            0 AMB  20-1:597    4.50    (#    597:20  Single Ambig)
 &rst
  ixpk= 597, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 231, 232, 231, 232,
 &end
#
#   14 GLN  HA            0 AMB  20-1:598    3.50    (#    598:20  Single Ambig)
 &rst
  ixpk= 598, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:599      0 AMB  20-1:599    2.80    (#    599:20  Double Ambig)
 &rst
  ixpk= 599, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 228, 229, 228, 229, 228, 229,
 igr2= 231, 232, 231, 232, 231, 232,
 &end
#
#   69 VAL  HA           69 VAL  HB          3.50    (#    600:20  Unique         2.52, 3.00 A)
 &rst
  ixpk= 600, nxpk= 20, iat=1078,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 GLU  HN            0 AMB  20-1:601    3.50    (#    601:20  Single Ambig)
 &rst
  ixpk= 601, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1096,1097,1080,
 &end
#
#   70 GLU  HA           70 GLU  HB+         4.50    (#    602:20  Unique         2.50, 2.82 A)
 &rst
  ixpk= 602, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1096,1097,
 &end
#
#   70 GLU  HN           70 GLU  HB-         4.50    (#    603:20  Unique         2.15, 2.75 A)
 &rst
  ixpk= 603, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1096,1097,
 &end
#
#   70 GLU  HA           70 GLU  HB-         4.50    (#    604:20  Unique         2.50, 2.82 A)
 &rst
  ixpk= 604, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1096,1097,
 &end
#
#   19 GLN  HA           19 GLN  HG+         4.50    (#    605:20  Unique         2.06, 2.88 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 313, 314,
 &end
#
#   19 GLN  HB+          19 GLN  HG+         3.50    (#    606:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   69 VAL  HN           69 VAL  HB          3.50    (#    607:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 607, nxpk= 20, iat=1076,1080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:608      0 AMB  20-1:608    2.80    (#    608:20  Double Ambig)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 722, 723,
 igr2=1080,1096,1097,
 &end
#
#    0 AMB  20-2:609      0 AMB  20-1:609    2.80    (#    609:20  Double Ambig)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1099,1100,1099,1100,
 igr2=1096,1097,1096,1097,
 &end
#
#    0 AMB  20-2:610     70 GLU  HB-         2.80    (#    610:20  Single Ambig)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1099,1100,1099,1100,
 igr2=1096,1097,
 &end
#
#   19 GLN  HB-          19 GLN  HG+         3.50    (#    611:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   58 LYS  HG-          69 VAL  HB          3.50    (#    612:20  Unique         2.24, 3.68 A)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,1080, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 906, 907,
 &end
#
#    0 AMB  20-2:613      0 AMB  20-1:613    3.50    (#    613:20  Double Ambig)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1231,1232,1238,1239,1240,
 igr2=1234,1235,1234,1235,
 &end
#
#   18 VAL  HN           18 VAL  HB          3.50    (#    616:20  Unique         2.49, 2.74 A)
 &rst
  ixpk= 616, nxpk= 20, iat= 290, 294, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:617      0 AMB  20-1:617    2.80    (#    617:20  Double Ambig)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.01, r4= 5.76,
 igr1= 429, 430, 334, 335, 336, 435, 436, 435, 436, 451,
       452,
 igr2= 399, 400, 294,
 &end
#
#   18 VAL  MGY          18 VAL  HB          2.80    (#    618:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1, 294, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:619      0 AMB  20-1:619    3.50    (#    619:20  Double Ambig)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 158, 159, 158, 159, 402,
 igr2= 399, 400, 399, 400, 399, 400,
 &end
#
#    0 AMB  20-2:620      0 AMB  20-1:620    3.50    (#    620:20  Double Ambig)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1265,1266,1231,1232,
 igr2=1234,1235,1234,1235,
 &end
#
#   78 ILE  QG2          80 MET  HG+         4.50    (#    621:20  Unique         2.01, 4.68 A)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1204,1205,1206,
 igr2=1234,1235,
 &end
#
#    0 AMB  20-2:622     32 ARG  HB-         3.50    (#    622:20  Single Ambig)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1= 504, 505, 504, 505, 466, 454, 455,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:623     80 MET  HG-         4.50    (#    623:20  Single Ambig)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1234,1235,
 &end
#
#    0 AMB  20-2:624     80 MET  HG-         3.50    (#    624:20  Single Ambig)
 &rst
  ixpk= 624, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1265,1266,1231,1232,
 igr2=1234,1235,
 &end
#
#   32 ARG  HN           32 ARG  HB+         4.50    (#    625:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 519, 520,
 &end
#
#   32 ARG  HA           32 ARG  HB+         3.50    (#    626:20  Unique         2.51, 2.83 A)
 &rst
  ixpk= 626, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:627      0 AMB  20-1:627    4.50    (#    627:20  Double Ambig)
 &rst
  ixpk= 627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 525, 526, 525, 526,
 igr2= 519, 520, 519, 520,
 &end
#
#    0 AMB  20-2:628      0 AMB  20-1:628    3.50    (#    628:20  Double Ambig)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 519, 520, 519, 520,
 &end
#
#   32 ARG  HA           32 ARG  HB-         4.50    (#    629:20  Unique         2.51, 2.83 A)
 &rst
  ixpk= 629, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:630     32 ARG  HB-         3.50    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 379, 380, 381, 386, 387, 388,
 igr2= 519, 520,
 &end
#
#   32 ARG  HN           32 ARG  HB-         3.50    (#    631:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 631, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 519, 520,
 &end
#
#   25 PRO  HG-          25 PRO  HB+         2.80    (#    632:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 396, 397,
 igr2= 399, 400,
 &end
#
#    2 GLU  HA            0 AMB  20-1:634    3.50    (#    634:20  Single Ambig)
 &rst
  ixpk= 634, nxpk= 20, iat=  16,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  18,  19,  18,  19,
 &end
#
#   64 MET  HN           64 MET  HG+         3.50    (#    635:20  Unique         2.19, 3.65 A)
 &rst
  ixpk= 635, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1007,1008,
 &end
#
#   64 MET  HA           64 MET  HG+         4.50    (#    636:20  Unique         2.02, 3.00 A)
 &rst
  ixpk= 636, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HG+         3.50    (#    637:20  Unique         2.20, 2.63 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1004,1005,
 igr2=1007,1008,
 &end
#
#   64 MET  ME           64 MET  HG+         4.50    (#    638:20  Unique         2.02, 3.47 A)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1011,1012,1013,
 igr2=1007,1008,
 &end
#
#   64 MET  HA           64 MET  HG-         3.50    (#    639:20  Unique         2.02, 3.00 A)
 &rst
  ixpk= 639, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HG-         3.50    (#    640:20  Unique         2.20, 2.63 A)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1004,1005,
 igr2=1007,1008,
 &end
#
#   64 MET  ME           64 MET  HG-         3.50    (#    641:20  Unique         2.02, 3.47 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1011,1012,1013,
 igr2=1007,1008,
 &end
#
#    0 AMB  20-2:642      0 AMB  20-1:642    4.50    (#    642:20  Double Ambig)
 &rst
  ixpk= 642, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 207, 208, 145,
 igr2= 164, 165, 164, 165,
 &end
#
#   13 TYR  HB+          10 PRO  HB+         5.50    (#    643:20  Unique         4.73, 5.27 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 164, 165,
 &end
#
#   10 PRO  HA           10 PRO  HB+         3.50    (#    644:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 644, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:645      0 AMB  20-1:645    3.50    (#    645:20  Double Ambig)
 &rst
  ixpk= 645, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 161, 162, 161, 162,
 igr2= 164, 165, 164, 165,
 &end
#
#    9 VAL  HN            8 ARG  HB+         3.50    (#    647:20  Unique         2.45, 3.46 A)
 &rst
  ixpk= 647, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 121, 122,
 &end
#
#   45 LYS  HN            0 AMB  20-1:648    4.50    (#    648:20  Single Ambig)
 &rst
  ixpk= 648, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 716, 717, 716, 717,
 &end
#
#    0 AMB  20-2:649      0 AMB  20-1:649    4.50    (#    649:20  Double Ambig)
 &rst
  ixpk= 649, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 722, 723, 722, 723,
 igr2= 716, 717, 716, 717,
 &end
#
#   45 LYS  HA            0 AMB  20-1:650    3.50    (#    650:20  Single Ambig)
 &rst
  ixpk= 650, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 716, 717, 716, 717,
 &end
#
#   72 ALA  MB            0 AMB  20-1:651    4.50    (#    651:20  Single Ambig)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1125,1126,1127,
 igr2= 716, 717, 716, 717,
 &end
#
#    0 AMB  20-2:652      0 AMB  20-1:652    2.80    (#    652:20  Double Ambig)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 722, 723, 719, 720, 719, 720,
 igr2= 716, 717, 716, 717, 716, 717,
 &end
#
#    0 AMB  20-2:653      0 AMB  20-1:653    4.50    (#    653:20  Double Ambig)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 158, 159, 158, 159,
 igr2= 164, 165, 164, 165,
 &end
#
#   38 PRO  HD-          38 PRO  HB+         4.50    (#    654:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 609, 610,
 igr2= 615, 616,
 &end
#
#   38 PRO  HA           38 PRO  HB+         2.80    (#    655:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 655, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 615, 616,
 &end
#
#    8 ARG  HA            8 ARG  HB+         4.50    (#    656:20  Unique         2.34, 2.54 A)
 &rst
  ixpk= 656, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 121, 122,
 &end
#
#   11 GLU  HN           10 PRO  HB-         4.50    (#    657:20  Unique         3.78, 4.11 A)
 &rst
  ixpk= 657, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:658      0 AMB  20-1:658    3.50    (#    658:20  Double Ambig)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 158, 159, 158, 159, 158, 159,
 igr2= 429, 430, 429, 430, 164, 165,
 &end
#
#    0 AMB  20-2:659      0 AMB  20-1:659    3.50    (#    659:20  Double Ambig)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 618, 167,
 igr2= 615, 616, 164, 165,
 &end
#
#    0 AMB  20-2:660      0 AMB  20-1:660    4.50    (#    660:20  Double Ambig)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 609, 610, 393, 394,
 igr2= 615, 616, 164, 165,
 &end
#
#   27 LYS  HN           27 LYS  HB+         3.50    (#    661:20  Unique         2.06, 2.81 A)
 &rst
  ixpk= 661, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 429, 430,
 &end
#
#    0 AMB  20-2:662      0 AMB  20-1:662    2.80    (#    662:20  Double Ambig)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 594, 427, 570,
 igr2= 596, 429, 430, 615, 616,
 &end
#
#    0 AMB  20-2:663      0 AMB  20-1:663    3.50    (#    663:20  Double Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 432, 433, 432, 433,
 igr2= 429, 430, 429, 430,
 &end
#
#   27 LYS  HN           27 LYS  HB-         3.50    (#    664:20  Unique         2.06, 2.81 A)
 &rst
  ixpk= 664, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 429, 430,
 &end
#
#   38 PRO  HD+          38 PRO  HB-         4.50    (#    665:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 609, 610,
 igr2= 615, 616,
 &end
#
#   33 ILE  HG1-         37 VAL  HB          3.50    (#    666:20  Unique         2.27, 3.84 A)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#    0 AMB  20-2:667     37 VAL  HB          2.80    (#    667:20  Single Ambig)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 598, 599, 600, 602, 603, 604, 549, 550,
 &end
#
#   33 ILE  QD1          37 VAL  HB          4.50    (#    668:20  Unique         2.00, 3.61 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 552, 553, 554,
 &end
#
#   37 VAL  MGX          37 VAL  HB          2.80    (#    669:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HN           37 VAL  HB          3.50    (#    670:20  Unique         2.61, 2.78 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 592, 596, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 LYS  HE-           0 AMB  20-1:671    4.50    (#    671:20  Single Ambig)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 725, 726,
 igr2=  18,  19,  18,  19,
 &end
#
#   28 GLU  HG+          27 LYS  HB+         2.80    (#    673:20  Unique         2.28, 3.77 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 454, 455,
 igr2= 429, 430,
 &end
#
#   30 LYS  HN           30 LYS  HB+         3.50    (#    674:20  Unique         2.09, 2.76 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:675      0 AMB  20-1:675    2.80    (#    675:20  Double Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1166, 686,
 igr2=1168,1169,  18,  19,  18,  19,
 &end
#
#   30 LYS  HN           30 LYS  HB-         3.50    (#    676:20  Unique         2.09, 2.76 A)
 &rst
  ixpk= 676, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:677      0 AMB  20-1:677    3.50    (#    677:20  Double Ambig)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1= 485, 486,1171,1172,1171,1172,1171,1172,
 igr2= 482, 483,1174,1175,1174,1175,1174,1175,
 &end
#
#   30 LYS  HA           30 LYS  HB-         3.50    (#    678:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 678, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 482, 483,
 &end
#
#   66 TYR  HA           40 LYS  HB+         3.50    (#    679:20  Unique         2.00, 3.07 A)
 &rst
  ixpk= 679, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#   40 LYS  HG-          40 LYS  HB+         4.50    (#    680:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 641, 642,
 igr2= 638, 639,
 &end
#
#   40 LYS  HN           40 LYS  HB-         3.50    (#    681:20  Unique         2.52, 3.24 A)
 &rst
  ixpk= 681, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#   18 VAL  HN           17 HIS  HB-         4.50    (#    683:20  Unique         2.02, 3.32 A)
 &rst
  ixpk= 683, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 277, 278,
 &end
#
#   17 HIS  HA           17 HIS  HB-         3.50    (#    684:20  Unique         2.35, 2.50 A)
 &rst
  ixpk= 684, nxpk= 20, iat= 275,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 277, 278,
 &end
#
#   81 PRO  HA           81 PRO  HB+         3.50    (#    685:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 685, nxpk= 20, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1251,1252,
 &end
#
#    0 AMB  20-2:686      0 AMB  20-1:686    2.80    (#    686:20  Double Ambig)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1248,1249,1248,1249,
 igr2=1251,1252,1251,1252,
 &end
#
#    0 AMB  20-2:687      0 AMB  20-1:687    3.50    (#    687:20  Double Ambig)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 158, 159, 158, 159, 480,
 igr2= 429, 430, 482, 483,
 &end
#
#    0 AMB  20-2:688      0 AMB  20-1:688    4.50    (#    688:20  Double Ambig)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.76, r4=10.51,
 igr1=1152, 468, 469, 470, 472, 473, 474, 415, 416, 417,
       419, 420, 421,
 igr2= 262, 263, 482, 483, 429, 430,1168,1169,
 &end
#
#    0 AMB  20-2:689      0 AMB  20-1:689    2.80    (#    689:20  Double Ambig)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1303,1304,1303,1304, 485, 486,1171,1172,1171,1172,
      
 igr2= 262, 263, 482, 483,1168,1169,
 &end
#
#   40 LYS  HA           40 LYS  HB+         3.50    (#    690:20  Unique         2.35, 2.54 A)
 &rst
  ixpk= 690, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:691      0 AMB  20-1:691    3.50    (#    691:20  Double Ambig)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 644, 645, 641, 642,
 igr2= 638, 639, 638, 639,
 &end
#
#   40 LYS  HN           40 LYS  HB+         4.50    (#    692:20  Unique         2.52, 3.24 A)
 &rst
  ixpk= 692, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:693     40 LYS  HB-         3.50    (#    693:20  Single Ambig)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 644, 645, 641, 642,
 igr2= 638, 639,
 &end
#
#   58 LYS  HA           58 LYS  HB+         3.50    (#    694:20  Unique         2.40, 2.81 A)
 &rst
  ixpk= 694, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#   58 LYS  HG+          58 LYS  HB+         3.50    (#    695:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 906, 907,
 igr2= 903, 904,
 &end
#
#    0 AMB  20-2:697      0 AMB  20-1:697    2.80    (#    697:20  Double Ambig)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1166, 560,
 igr2=1168,1169, 596,
 &end
#
#   76 LYS  HN           76 LYS  HB+         3.50    (#    698:20  Unique         2.12, 3.05 A)
 &rst
  ixpk= 698, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1168,1169,
 &end
#
#    0 AMB  20-2:699      0 AMB  20-1:699    2.80    (#    699:20  Double Ambig)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1171,1172,1171,1172,
 igr2=1168,1169,1168,1169,
 &end
#
#    0 AMB  20-2:700      0 AMB  20-1:700    4.50    (#    700:20  Double Ambig)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
 igr1=1152, 468, 469, 470, 472, 473, 474,
 igr2= 262, 263, 482, 483,1168,1169,
 &end
#
#   76 LYS  HN           76 LYS  HB-         3.50    (#    701:20  Unique         2.12, 3.05 A)
 &rst
  ixpk= 701, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1168,1169,
 &end
#
#   81 PRO  HA           81 PRO  HB-         3.50    (#    702:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 702, nxpk= 20, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1251,1252,
 &end
#
#   58 LYS  HN           58 LYS  HB-         3.50    (#    703:20  Unique         2.07, 2.63 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#   58 LYS  HA           58 LYS  HB-         3.50    (#    704:20  Unique         2.40, 2.81 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#   58 LYS  HG+          58 LYS  HB-         2.80    (#    705:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 906, 907,
 igr2= 903, 904,
 &end
#
#   58 LYS  HN           58 LYS  HB+         3.50    (#    706:20  Unique         2.07, 2.63 A)
 &rst
  ixpk= 706, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 903, 904,
 &end
#
#    0 AMB  20-2:707      0 AMB  20-1:707    4.50    (#    707:20  Double Ambig)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.40, r4=11.15,
 igr1=1152,1082,1083,1084,1086,1087,1088,1082,1083,1084,
      1086,1087,1088, 740, 741, 742, 744, 745, 746,
 igr2= 262, 263, 903, 904, 903, 904, 903, 904,
 &end
#
#   30 LYS  HN           29 VAL  HB          4.50    (#    708:20  Unique         2.36, 3.91 A)
 &rst
  ixpk= 708, nxpk= 20, iat= 478, 466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HN           29 VAL  HB          2.80    (#    709:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 709, nxpk= 20, iat= 462, 466, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:710     58 LYS  HB-         4.50    (#    710:20  Single Ambig)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 740, 741, 742, 744, 745, 746,
 igr2= 903, 904,
 &end
#
#   16 GLU  HA           16 GLU  HB+         4.50    (#    711:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 262, 263,
 &end
#
#   29 VAL  MGY          29 VAL  HB          2.80    (#    712:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1, 466, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HA           29 VAL  HB          3.50    (#    713:20  Unique         2.46, 2.53 A)
 &rst
  ixpk= 713, nxpk= 20, iat= 464, 466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:714     29 VAL  HB          2.80    (#    714:20  Single Ambig)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1, 466, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 468, 469, 470, 472, 473, 474, 107, 108, 109, 111,
       112, 113,
 &end
#
#    0 AMB  20-2:715      0 AMB  20-1:715    2.80    (#    715:20  Double Ambig)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 396, 397, 454, 455,
 igr2= 451, 452, 451, 452,
 &end
#
#   28 GLU  HA           28 GLU  HB+         3.50    (#    716:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 716, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:717      0 AMB  20-1:717    5.50    (#    717:20  Double Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 525, 526, 525, 526,
 igr2= 451, 452, 451, 452,
 &end
#
#   24 ILE  QG2          28 GLU  HB-         4.50    (#    718:20  Unique         2.77, 6.16 A)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 379, 380, 381,
 igr2= 451, 452,
 &end
#
#   28 GLU  HN           28 GLU  HB-         3.50    (#    719:20  Unique         2.75, 3.52 A)
 &rst
  ixpk= 719, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 451, 452,
 &end
#
#   28 GLU  HA           28 GLU  HB-         4.50    (#    720:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 720, nxpk= 20, iat= 449,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:721      7 VAL  HB          4.50    (#    721:20  Single Ambig)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 406, 117,
 &end
#
#    7 VAL  HA            7 VAL  HB          3.50    (#    722:20  Unique         2.45, 2.72 A)
 &rst
  ixpk= 722, nxpk= 20, iat= 103, 105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:723      7 VAL  HB          4.50    (#    723:20  Single Ambig)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 856, 858, 859, 408,
 &end
#
#   26 LEU  HB-           7 VAL  HB          4.50    (#    724:20  Unique         2.37, 4.41 A)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 410, 411,
 &end
#
#    0 AMB  20-2:725      7 VAL  HB          2.80    (#    725:20  Single Ambig)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
       112, 113,
 &end
#
#    7 VAL  MGX           7 VAL  HB          2.80    (#    726:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   31 GLU  HN            0 AMB  20-1:727    3.50    (#    727:20  Single Ambig)
 &rst
  ixpk= 727, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 504, 505, 504, 505,
 &end
#
#   31 GLU  HA            0 AMB  20-1:728    3.50    (#    728:20  Single Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat= 502,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 504, 505, 504, 505,
 &end
#
#   31 GLU  HN            0 AMB  20-1:729    3.50    (#    729:20  Single Ambig)
 &rst
  ixpk= 729, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:730      0 AMB  20-1:730    2.80    (#    730:20  Double Ambig)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 507, 508, 507, 508, 507, 508,
 igr2= 504, 505, 504, 505, 504, 505,
 &end
#
#   31 GLU  HA            0 AMB  20-1:731    3.50    (#    731:20  Single Ambig)
 &rst
  ixpk= 731, nxpk= 20, iat= 502,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:732      0 AMB  20-1:732    2.80    (#    732:20  Double Ambig)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 507, 508, 507, 508, 507, 508,
 igr2= 504, 505, 504, 505, 504, 505,
 &end
#
#   21 ALA  MB            4 TRP  HB+         3.50    (#    733:20  Unique         2.00, 3.14 A)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 334, 335, 336,
 igr2=  50,  51,
 &end
#
#   18 VAL  HB            4 TRP  HB+         4.50    (#    734:20  Unique         2.67, 4.02 A)
 &rst
  ixpk= 734, nxpk= 20, iat= 294,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#   18 VAL  HB            4 TRP  HB-         4.50    (#    735:20  Unique         2.67, 4.02 A)
 &rst
  ixpk= 735, nxpk= 20, iat= 294,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#   58 LYS  HG+          58 LYS  HD+         2.80    (#    736:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 906, 907,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:737     58 LYS  HD-         3.50    (#    737:20  Single Ambig)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 906, 907, 906, 907,
 igr2= 909, 910,
 &end
#
#    4 TRP  HN            4 TRP  HB+         4.50    (#    738:20  Unique         2.21, 2.92 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  46,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#    4 TRP  HA            4 TRP  HB+         4.50    (#    739:20  Unique         2.52, 2.80 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#   21 ALA  HA            4 TRP  HB+         3.50    (#    740:20  Unique         2.00, 3.16 A)
 &rst
  ixpk= 740, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    4 TRP  HN            4 TRP  HB-         4.50    (#    741:20  Unique         2.21, 2.92 A)
 &rst
  ixpk= 741, nxpk= 20, iat=  46,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#   21 ALA  HA            4 TRP  HB-         3.50    (#    742:20  Unique         2.00, 3.16 A)
 &rst
  ixpk= 742, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:743     58 LYS  HD-         4.50    (#    743:20  Single Ambig)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 912, 913, 912, 913,
 igr2= 909, 910,
 &end
#
#   53 GLN  HN            0 AMB  20-1:744    3.50    (#    744:20  Single Ambig)
 &rst
  ixpk= 744, nxpk= 20, iat= 837,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 817, 818, 817, 818,
 &end
#
#    0 AMB  20-2:745      0 AMB  20-1:745    3.50    (#    745:20  Double Ambig)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 823, 824, 823, 824, 823, 824,
 igr2= 817, 818, 817, 818, 817, 818,
 &end
#
#    0 AMB  20-2:746      0 AMB  20-1:746    3.50    (#    746:20  Double Ambig)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 820, 821, 820, 821,
 igr2= 817, 818, 817, 818,
 &end
#
#   52 ARG  HA            0 AMB  20-1:747    3.50    (#    747:20  Single Ambig)
 &rst
  ixpk= 747, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 817, 818, 817, 818,
 &end
#
#    9 VAL  HA            9 VAL  HB          3.50    (#    748:20  Unique         2.57, 2.58 A)
 &rst
  ixpk= 748, nxpk= 20, iat= 143, 145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:749      9 VAL  HB          2.80    (#    749:20  Single Ambig)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 158, 159, 158, 159,
 &end
#
#    9 VAL  MGY           9 VAL  HB          2.80    (#    750:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  MGX           9 VAL  HB          2.80    (#    751:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:752      0 AMB  20-1:752    2.80    (#    752:20  Double Ambig)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1= 491, 492, 491, 492, 491, 492, 438, 439, 438, 439,
       438, 439,
 igr2= 488, 489, 488, 489, 488, 489, 435, 436, 435, 436,
       435, 436,
 &end
#
#    0 AMB  20-2:753      0 AMB  20-1:753    2.80    (#    753:20  Double Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 262, 263, 262, 263,
 igr2=1306,1307,1306,1307,
 &end
#
#    0 AMB  20-2:754      0 AMB  20-1:754    2.80    (#    754:20  Double Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1300,1301,1300,1301, 429, 430, 429, 430, 265, 266,
       265, 266,
 igr2=1306,1307,1306,1307, 435, 436, 435, 436,1306,1307,
      
 &end
#
#    0 AMB  20-2:755      0 AMB  20-1:755    3.50    (#    755:20  Double Ambig)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 647, 648, 647, 648,
 igr2= 644, 645, 644, 645,
 &end
#
#   40 LYS  HG-          40 LYS  HD+         3.50    (#    756:20  Unique         2.23, 2.68 A)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642,
 igr2= 644, 645,
 &end
#
#    0 AMB  20-2:757     40 LYS  HD-         3.50    (#    757:20  Single Ambig)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 647, 648, 647, 648,
 igr2= 644, 645,
 &end
#
#   40 LYS  HG-          40 LYS  HD-         3.50    (#    758:20  Unique         2.23, 2.68 A)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642,
 igr2= 644, 645,
 &end
#
#   68 HIS  HA           68 HIS  HB-         4.50    (#    759:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 759, nxpk= 20, iat=1061,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1063,1064,
 &end
#
#   63 GLU  HN            0 AMB  20-1:760    2.80    (#    760:20  Single Ambig)
 &rst
  ixpk= 760, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:761      0 AMB  20-1:761    4.50    (#    761:20  Double Ambig)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 198, 199, 198, 199,1000,
 igr2= 245, 246, 245, 246, 989, 990, 989, 990,
 &end
#
#    0 AMB  20-2:762      0 AMB  20-1:762    3.50    (#    762:20  Double Ambig)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 938, 775, 776,
 igr2= 989, 990, 989, 990, 841, 842, 841, 842,
 &end
#
#   60 ILE  HN            0 AMB  20-1:763    4.50    (#    763:20  Single Ambig)
 &rst
  ixpk= 763, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:764      0 AMB  20-1:764    4.50    (#    764:20  Double Ambig)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1= 262, 263, 946, 947,
 igr2= 245, 246, 245, 246, 925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:765      0 AMB  20-1:765    2.80    (#    765:20  Double Ambig)
 &rst
  ixpk= 765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1=1303,1304,1303,1304,1303,1304, 485, 486,
 igr2=1306,1307,1306,1307,1306,1307, 488, 489, 488, 489,
      
 &end
#
#    0 AMB  20-2:766      0 AMB  20-1:766    3.50    (#    766:20  Double Ambig)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1265,1266,1231,1232,
 igr2=1268,1269,1268,1269,
 &end
#
#    0 AMB  20-2:767      0 AMB  20-1:767    3.50    (#    767:20  Double Ambig)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1251,1252,1238,1239,1240,1306,1307,1306,1307,
 igr2=1268,1269,1268,1269,1268,1269,1268,1269,
 &end
#
#   40 LYS  HB+          40 LYS  HD-         3.50    (#    769:20  Unique         2.05, 2.96 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 638, 639,
 igr2= 644, 645,
 &end
#
#    0 AMB  20-2:770      0 AMB  20-1:770    3.50    (#    770:20  Double Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.47, r4= 7.22,
 igr1= 849, 850, 849, 850, 921,
 igr2= 841, 842, 841, 842, 925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:771      0 AMB  20-1:771    2.80    (#    771:20  Double Ambig)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 923, 839, 987,
 igr2= 925, 926, 925, 926, 841, 842, 841, 842, 989, 990,
       989, 990,
 &end
#
#   59 GLU  HN            0 AMB  20-1:772    3.50    (#    772:20  Single Ambig)
 &rst
  ixpk= 772, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 925, 926, 925, 926,
 &end
#
#   19 GLN  HN           19 GLN  HB+         3.50    (#    773:20  Unique         2.08, 2.61 A)
 &rst
  ixpk= 773, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#    0 AMB  20-2:774      0 AMB  20-1:774    4.50    (#    774:20  Double Ambig)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 891, 308,
 igr2= 946, 947, 310, 311,
 &end
#
#    0 AMB  20-2:775     19 GLN  HB-         2.80    (#    775:20  Single Ambig)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 313, 314, 313, 314,
 igr2= 310, 311,
 &end
#
#   19 GLN  HN           19 GLN  HB-         3.50    (#    776:20  Unique         2.08, 2.61 A)
 &rst
  ixpk= 776, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#   19 GLN  HA           19 GLN  HB-         4.50    (#    777:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 777, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 310, 311,
 &end
#
#   82 LYS  HE+          82 LYS  HD-         5.50    (#    778:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#    0 AMB  20-2:779     82 LYS  HD-         3.50    (#    779:20  Single Ambig)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1265,1266,1231,1232,
 igr2=1268,1269,
 &end
#
#   45 LYS  HE+          45 LYS  HD+         4.50    (#    780:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 725, 726,
 igr2= 722, 723,
 &end
#
#    0 AMB  20-2:781      0 AMB  20-1:781    3.50    (#    781:20  Double Ambig)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 716, 717, 716, 717, 719, 720,
 igr2= 722, 723, 722, 723, 722, 723,
 &end
#
#   45 LYS  HE-          45 LYS  HD-         4.50    (#    782:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 782, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 725, 726,
 igr2= 722, 723,
 &end
#
#   45 LYS  HG-          45 LYS  HD-         2.80    (#    783:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 719, 720,
 igr2= 722, 723,
 &end
#
#   68 HIS  HA           68 HIS  HB+         3.50    (#    784:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 784, nxpk= 20, iat=1061,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1063,1064,
 &end
#
#   68 HIS  HN           68 HIS  HB-         5.50    (#    787:20  Unique         2.59, 3.37 A)
 &rst
  ixpk= 787, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1063,1064,
 &end
#
#    0 AMB  20-2:788      0 AMB  20-1:788    2.80    (#    788:20  Double Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1= 248, 249, 248, 249, 844, 845, 844, 845,
 igr2= 245, 246, 245, 246, 841, 842, 841, 842,
 &end
#
#   16 GLU  HN            0 AMB  20-1:789    5.50    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 245, 246, 245, 246,
 &end
#
#   15 GLN  HN            0 AMB  20-1:790    3.50    (#    790:20  Single Ambig)
 &rst
  ixpk= 790, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 245, 246, 245, 246,
 &end
#
#   16 GLU  HN            0 AMB  20-1:791    4.50    (#    791:20  Single Ambig)
 &rst
  ixpk= 791, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 245, 246, 245, 246,
 &end
#
#   15 GLN  HN            0 AMB  20-1:792    3.50    (#    792:20  Single Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 245, 246, 245, 246,
 &end
#
#   11 GLU  HN            0 AMB  20-1:794    3.50    (#    794:20  Single Ambig)
 &rst
  ixpk= 794, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 175, 176, 175, 176,
 &end
#
#    0 AMB  20-2:796      0 AMB  20-1:796    3.50    (#    796:20  Double Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 248, 249, 248, 249,
 igr2= 175, 176, 175, 176,
 &end
#
#   11 GLU  HN            0 AMB  20-1:797    3.50    (#    797:20  Single Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 175, 176, 175, 176,
 &end
#
#   60 ILE  HN           60 ILE  HG1-        3.50    (#    798:20  Unique         1.93, 2.71 A)
 &rst
  ixpk= 798, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 946, 947,
 &end
#
#   60 ILE  HA           60 ILE  HG1-        3.50    (#    799:20  Unique         3.67, 3.71 A)
 &rst
  ixpk= 799, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 946, 947,
 &end
#
#   60 ILE  QD1          60 ILE  HG1-        2.80    (#    800:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 949, 950, 951,
 igr2= 946, 947,
 &end
#
#   60 ILE  HN           60 ILE  HG1+        4.50    (#    801:20  Unique         1.93, 2.71 A)
 &rst
  ixpk= 801, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 946, 947,
 &end
#
#    0 AMB  20-2:802      0 AMB  20-1:802    2.80    (#    802:20  Double Ambig)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 949, 950, 951, 415, 416, 417, 419, 420, 421,
 igr2= 946, 947, 946, 947,
 &end
#
#   11 GLU  HA            0 AMB  20-1:803    3.50    (#    803:20  Single Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 175, 176, 175, 176,
 &end
#
#   52 ARG  HA           56 GLN  HB+         4.50    (#    804:20  Unique         3.41, 4.89 A)
 &rst
  ixpk= 804, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#    0 AMB  20-2:805      0 AMB  20-1:805    3.50    (#    805:20  Double Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 872, 884, 885,
 igr2= 876, 877, 876, 877,
 &end
#
#   56 GLN  HA           56 GLN  HB+         4.50    (#    806:20  Unique         2.41, 2.80 A)
 &rst
  ixpk= 806, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#    0 AMB  20-2:807      0 AMB  20-1:807    4.50    (#    807:20  Double Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
       420, 421,
 igr2= 876, 877, 876, 877,
 &end
#
#    0 AMB  20-2:808     56 GLN  HB-         3.50    (#    808:20  Single Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
       420, 421,
 igr2= 876, 877,
 &end
#
#   12 GLN  HA            0 AMB  20-1:809    3.50    (#    809:20  Single Ambig)
 &rst
  ixpk= 809, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 245, 246, 245, 246, 190, 191,
 &end
#
#   52 ARG  HA           56 GLN  HB-         4.50    (#    810:20  Unique         3.41, 4.89 A)
 &rst
  ixpk= 810, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#   56 GLN  HA           56 GLN  HB-         3.50    (#    811:20  Unique         2.41, 2.80 A)
 &rst
  ixpk= 811, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 876, 877,
 &end
#
#    0 AMB  20-2:812      0 AMB  20-1:812    3.50    (#    812:20  Double Ambig)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 872, 186,
 igr2= 876, 877, 190, 191,
 &end
#
#   14 GLN  HN           14 GLN  HB+         3.50    (#    813:20  Unique         2.28, 3.19 A)
 &rst
  ixpk= 813, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 228, 229,
 &end
#
#    0 AMB  20-2:814     12 GLN  HB-         3.50    (#    814:20  Single Ambig)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 124, 125, 124, 125,
 igr2= 190, 191,
 &end
#
#   12 GLN  HB-           0 AMB  20-1:815    2.80    (#    815:20  Single Ambig)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 190, 191,
 igr2= 124, 125, 124, 125,
 &end
#
#    8 ARG  HD+          12 GLN  HB-         4.50    (#    816:20  Unique         1.99, 3.42 A)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 127, 128,
 igr2= 190, 191,
 &end
#
#   14 GLN  HN           14 GLN  HB-         3.50    (#    817:20  Unique         2.28, 3.19 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 228, 229,
 &end
#
#   14 GLN  HA           14 GLN  HB-         3.50    (#    818:20  Unique         2.35, 2.56 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 228, 229,
 &end
#
#   61 LEU  HA           61 LEU  HG          5.50    (#    819:20  Unique         2.24, 2.68 A)
 &rst
  ixpk= 819, nxpk= 20, iat= 957, 962, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 LEU  HN           61 LEU  HG          3.50    (#    820:20  Unique         2.52, 2.83 A)
 &rst
  ixpk= 820, nxpk= 20, iat= 955, 962, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:821     61 LEU  HG          4.50    (#    821:20  Single Ambig)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 959, 960, 549, 550,
 &end
#
#    0 AMB  20-2:822     61 LEU  HG          2.80    (#    822:20  Single Ambig)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970, 964,
       965, 966, 968, 969, 970,
 &end
#
#   25 PRO  HD+          25 PRO  HG+         3.50    (#    823:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   25 PRO  HD-          25 PRO  HG+         3.50    (#    824:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   81 PRO  HD-           0 AMB  20-1:825    3.50    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1245,1246,
 igr2=1248,1249,1248,1249,
 &end
#
#    0 AMB  20-2:826      0 AMB  20-1:826    3.50    (#    826:20  Double Ambig)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1251,1252,1238,1239,1240,
 igr2=1248,1249,1248,1249,
 &end
#
#    0 AMB  20-2:827      0 AMB  20-1:827    4.50    (#    827:20  Double Ambig)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 143,1254,
 igr2= 396, 397,1248,1249,1248,1249,
 &end
#
#   32 ARG  HN           32 ARG  HG+         4.50    (#    828:20  Unique         3.52, 4.50 A)
 &rst
  ixpk= 828, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 523,
 &end
#
#    0 AMB  20-2:830      0 AMB  20-1:830    2.80    (#    830:20  Double Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 158, 159, 158, 159, 158, 159,
 igr2= 161, 162, 161, 162, 161, 162,
 &end
#
#   25 PRO  HB-          25 PRO  HG+         3.50    (#    831:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 399, 400,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:832      0 AMB  20-1:832    3.50    (#    832:20  Double Ambig)
 &rst
  ixpk= 832, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 158, 159, 158, 159,
 igr2= 396, 397, 396, 397,
 &end
#
#   25 PRO  HD+          25 PRO  HG-         4.50    (#    834:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   25 PRO  HB-          25 PRO  HG-         3.50    (#    835:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 399, 400,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:836      0 AMB  20-1:836    2.80    (#    836:20  Double Ambig)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1245,1246,1245,1246,
 igr2=1248,1249,1248,1249,
 &end
#
#   81 PRO  HD-           0 AMB  20-1:837    4.50    (#    837:20  Single Ambig)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1245,1246,
 igr2=1248,1249,1248,1249,
 &end
#
#    0 AMB  20-2:838      0 AMB  20-1:838    3.50    (#    838:20  Double Ambig)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1=1251,1252,1238,1239,1240,
 igr2=1248,1249,1248,1249,
 &end
#
#   32 ARG  HA           32 ARG  HG+         4.50    (#    839:20  Unique         2.06, 2.77 A)
 &rst
  ixpk= 839, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 523,
 &end
#
#    0 AMB  20-2:840      0 AMB  20-1:840    3.50    (#    840:20  Double Ambig)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 525, 526, 525, 526,
 igr2= 522, 523, 522, 523,
 &end
#
#    0 AMB  20-2:842      0 AMB  20-1:842    4.50    (#    842:20  Double Ambig)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 386, 387, 388, 379, 380, 381,
 igr2= 522, 523, 522, 523,
 &end
#
#   78 ILE  HN           78 ILE  HG1-        4.50    (#    843:20  Unique         1.94, 2.81 A)
 &rst
  ixpk= 843, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1208,1209,
 &end
#
#   78 ILE  HA           78 ILE  HG1-        4.50    (#    844:20  Unique         2.37, 2.83 A)
 &rst
  ixpk= 844, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1208,1209,
 &end
#
#   78 ILE  QD1          78 ILE  HG1-        3.50    (#    845:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1211,1212,1213,
 igr2=1208,1209,
 &end
#
#   32 ARG  HA           32 ARG  HG-         3.50    (#    846:20  Unique         2.06, 2.77 A)
 &rst
  ixpk= 846, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 522, 523,
 &end
#
#   78 ILE  HA           78 ILE  HG1+        4.50    (#    848:20  Unique         2.37, 2.83 A)
 &rst
  ixpk= 848, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1208,1209,
 &end
#
#   78 ILE  QD1          78 ILE  HG1+        3.50    (#    849:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1211,1212,1213,
 igr2=1208,1209,
 &end
#
#   28 GLU  HG-           0 AMB  20-1:850    3.50    (#    850:20  Single Ambig)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 454, 455,
 igr2= 161, 162, 161, 162,
 &end
#
#   78 ILE  HB           78 ILE  HG1-        3.50    (#    851:20  Unique         2.43, 2.78 A)
 &rst
  ixpk= 851, nxpk= 20, iat=1202,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#   78 ILE  QG2          78 ILE  HG1+        3.50    (#    852:20  Unique         2.06, 3.39 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1204,1205,1206,
 igr2=1208,1209,
 &end
#
#   38 PRO  HA            0 AMB  20-1:853    4.50    (#    853:20  Single Ambig)
 &rst
  ixpk= 853, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 612, 613, 612, 613,
 &end
#
#    0 AMB  20-2:854      0 AMB  20-1:854    3.50    (#    854:20  Double Ambig)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 823, 824, 823, 824,
 igr2= 820, 821, 820, 821,
 &end
#
#    0 AMB  20-2:855      0 AMB  20-1:855    2.80    (#    855:20  Double Ambig)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 817, 818, 817, 818,
 igr2= 820, 821, 820, 821,
 &end
#
#    0 AMB  20-2:857     52 ARG  HG-         3.50    (#    857:20  Single Ambig)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 823, 824, 823, 824,
 igr2= 820, 821,
 &end
#
#    0 AMB  20-2:858     52 ARG  HG-         2.80    (#    858:20  Single Ambig)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 817, 818, 817, 818,
 igr2= 820, 821,
 &end
#
#    0 AMB  20-2:860      0 AMB  20-1:860    2.80    (#    860:20  Double Ambig)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 615, 616, 615, 616, 626, 627,
 igr2= 612, 613, 612, 613,
 &end
#
#   24 ILE  HG1-         22 ILE  HG1-        3.50    (#    862:20  Unique         1.98, 3.43 A)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 383, 384,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:863      0 AMB  20-1:863    3.50    (#    863:20  Double Ambig)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 609, 610, 609, 610,
 igr2= 612, 613, 612, 613,
 &end
#
#   38 PRO  HD-           0 AMB  20-1:864    2.80    (#    864:20  Single Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 609, 610,
 igr2= 612, 613, 612, 613,
 &end
#
#   26 LEU  HB-          26 LEU  HG          3.50    (#    865:20  Unique         2.31, 2.78 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 410, 411,
 &end
#
#    0 AMB  20-2:866     26 LEU  HG          2.80    (#    866:20  Single Ambig)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
       420, 421,
 &end
#
#   22 ILE  HN           22 ILE  HG1-        4.50    (#    867:20  Unique         2.13, 4.44 A)
 &rst
  ixpk= 867, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 350, 351,
 &end
#
#   22 ILE  HB           22 ILE  HG1-        3.50    (#    868:20  Unique         2.45, 2.81 A)
 &rst
  ixpk= 868, nxpk= 20, iat= 344,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 350, 351,
 &end
#
#   22 ILE  HN           22 ILE  HG1+        4.50    (#    869:20  Unique         2.13, 4.44 A)
 &rst
  ixpk= 869, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 350, 351,
 &end
#
#   22 ILE  HB           22 ILE  HG1+        3.50    (#    870:20  Unique         2.45, 2.81 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 344,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:871      0 AMB  20-1:871    2.80    (#    871:20  Double Ambig)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 346, 347, 348, 353, 354, 355,
 igr2= 350, 351, 350, 351,
 &end
#
#    0 AMB  20-2:873     22 ILE  HG1-        4.50    (#    873:20  Single Ambig)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  80,  81,  80,  81,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:874      0 AMB  20-1:874    3.50    (#    874:20  Double Ambig)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  80,  81,  80,  81,
 igr2= 350, 351, 350, 351,
 &end
#
#    0 AMB  20-2:875      0 AMB  20-1:875    3.50    (#    875:20  Double Ambig)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  74, 344,
 igr2=  80,  81,  80,  81,
 &end
#
#   22 ILE  HG1-          0 AMB  20-1:876    4.50    (#    876:20  Single Ambig)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 350, 351,
 igr2=  80,  81,  80,  81,
 &end
#
#   36 ALA  MB            0 AMB  20-1:877    3.50    (#    877:20  Single Ambig)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 586, 587, 588,
 igr2=  80,  81,  80,  81,
 &end
#
#    5 ILE  HN            0 AMB  20-1:879    4.50    (#    879:20  Single Ambig)
 &rst
  ixpk= 879, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  80,  81,  80,  81,
 &end
#
#    5 ILE  HA            0 AMB  20-1:880    4.50    (#    880:20  Single Ambig)
 &rst
  ixpk= 880, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  80,  81,  80,  81,
 &end
#
#    5 ILE  QG2           0 AMB  20-1:881    2.80    (#    881:20  Single Ambig)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  76,  77,  78,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:882     22 ILE  HG1-        2.80    (#    882:20  Single Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 346, 347, 348, 353, 354, 355,
 igr2= 350, 351,
 &end
#
#   22 ILE  QD1           0 AMB  20-1:884    3.50    (#    884:20  Single Ambig)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 353, 354, 355,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:885      0 AMB  20-1:885    3.50    (#    885:20  Double Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 596, 344, 543,
 igr2= 549, 550, 350, 351,
 &end
#
#    0 AMB  20-2:886     33 ILE  HG1-        2.80    (#    886:20  Single Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 igr2= 549, 550,
 &end
#
#   33 ILE  QG2          33 ILE  HG1-        3.50    (#    887:20  Unique         2.22, 3.11 A)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 545, 546, 547,
 igr2= 549, 550,
 &end
#
#   75 LEU  HB-          75 LEU  HG          2.80    (#    888:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1149,1150,
 &end
#
#   33 ILE  HB           33 ILE  HG1+        3.50    (#    889:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 549, 550,
 &end
#
#    0 AMB  20-2:890      0 AMB  20-1:890    2.80    (#    890:20  Double Ambig)
 &rst
  ixpk= 890, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 igr2= 549, 550, 549, 550,
 &end
#
#    0 AMB  20-2:891     75 LEU  HG          3.50    (#    891:20  Single Ambig)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   75 LEU  HB+          75 LEU  HG          3.50    (#    892:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#   33 ILE  QG2          33 ILE  HG1+        3.50    (#    893:20  Unique         2.22, 3.11 A)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 545, 546, 547,
 igr2= 549, 550,
 &end
#
#    0 AMB  20-2:894     75 LEU  HG          3.50    (#    894:20  Single Ambig)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 265, 266, 262, 263,
 &end
#
#    0 AMB  20-2:895     24 ILE  HG1-        3.50    (#    895:20  Single Ambig)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 350, 351, 377,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:896     24 ILE  HG1-        2.80    (#    896:20  Single Ambig)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 386, 387, 388, 379, 380, 381,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:897      0 AMB  20-1:897    4.50    (#    897:20  Double Ambig)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 350, 351, 377,
 igr2= 383, 384, 383, 384,
 &end
#
#    0 AMB  20-2:898      0 AMB  20-1:898    2.80    (#    898:20  Double Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 386, 387, 388, 379, 380, 381,
 igr2= 383, 384, 383, 384,
 &end
#
#   22 ILE  QG2          24 ILE  HG1-        4.50    (#    899:20  Unique         2.03, 4.09 A)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 346, 347, 348,
 igr2= 383, 384,
 &end
#
#   24 ILE  HA           24 ILE  HG1+        4.50    (#    900:20  Unique         2.52, 2.83 A)
 &rst
  ixpk= 900, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 383, 384,
 &end
#
#   26 LEU  HG           26 LEU  MDX         2.80    (#    901:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 901, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:903     26 LEU  MDX         4.50    (#    903:20  Single Ambig)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 408, 891,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:904     26 LEU  MDX         3.50    (#    904:20  Single Ambig)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 876, 877, 844, 845, 105,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:905     26 LEU  MDX         4.50    (#    905:20  Single Ambig)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 466, 817, 818, 817, 818,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   26 LEU  HB+          26 LEU  MDX         3.50    (#    906:20  Unique         2.00, 3.25 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 410, 411,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   52 ARG  HA           26 LEU  MDX         5.50    (#    907:20  Unique         5.63, 7.48 A)
 &rst
  ixpk= 907, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   60 ILE  HG1+         30 LYS  HG+         5.50    (#    908:20  Unique         3.71, 5.78 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 946, 947,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:909      0 AMB  20-1:909    4.50    (#    909:20  Double Ambig)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 647, 648, 647, 648,
 igr2= 641, 642, 641, 642,
 &end
#
#   40 LYS  HB+          40 LYS  HG+         4.50    (#    910:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
#   40 LYS  HB+          40 LYS  HG-         4.50    (#    913:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
#   40 LYS  HN           40 LYS  HG+         4.50    (#    914:20  Unique         1.95, 2.69 A)
 &rst
  ixpk= 914, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#   40 LYS  HA           40 LYS  HG-         4.50    (#    916:20  Unique         2.56, 3.48 A)
 &rst
  ixpk= 916, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#   45 LYS  HA           45 LYS  HG+         4.50    (#    917:20  Unique         2.19, 2.85 A)
 &rst
  ixpk= 917, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 719, 720,
 &end
#
#   45 LYS  HE+          45 LYS  HG+         4.50    (#    918:20  Unique         2.00, 2.96 A)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 725, 726,
 igr2= 719, 720,
 &end
#
#   27 LYS  HN            0 AMB  20-1:920    4.50    (#    920:20  Single Ambig)
 &rst
  ixpk= 920, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 432, 433, 432, 433,
 &end
#
#   27 LYS  HA            0 AMB  20-1:921    5.50    (#    921:20  Single Ambig)
 &rst
  ixpk= 921, nxpk= 20, iat= 427,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 432, 433, 432, 433,
 &end
#
#    0 AMB  20-2:922      0 AMB  20-1:922    3.50    (#    922:20  Double Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1309,1310,1309,1310,1309,1310,
 igr2=1303,1304,1303,1304,1303,1304,
 &end
#
#   43 THR  MG2          45 LYS  HG-         3.50    (#    924:20  Unique         2.76, 4.34 A)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 688, 689, 690,
 igr2= 719, 720,
 &end
#
#    0 AMB  20-2:925      0 AMB  20-1:925    4.50    (#    925:20  Double Ambig)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 955, 734,
 igr2= 964, 965, 966, 968, 969, 970, 719, 720,
 &end
#
#    0 AMB  20-2:926      0 AMB  20-1:926    3.50    (#    926:20  Double Ambig)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 959, 960,  18,  19,  18,  19,
 igr2= 964, 965, 966, 968, 969, 970, 719, 720,
 &end
#
#    0 AMB  20-2:927     61 LEU  MDX         3.50    (#    927:20  Single Ambig)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 549, 550, 959, 960,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:928      0 AMB  20-1:928    2.80    (#    928:20  Double Ambig)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.52, r4= 7.27,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 722, 723, 740, 741, 742, 744, 745, 746,
      
 igr2= 964, 965, 966, 968, 969, 970, 719, 720,
 &end
#
#    0 AMB  20-2:929      0 AMB  20-1:929    4.50    (#    929:20  Double Ambig)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1296, 273,
 igr2=1303,1304,1303,1304,1303,1304,
 &end
#
#   84 LYS  HA            0 AMB  20-1:930    3.50    (#    930:20  Single Ambig)
 &rst
  ixpk= 930, nxpk= 20, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:931      0 AMB  20-1:931    3.50    (#    931:20  Double Ambig)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 262, 263, 262, 263,
 igr2=1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:932      0 AMB  20-1:932    2.80    (#    932:20  Double Ambig)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
 igr1=1300,1301,1300,1301, 429, 430, 429, 430, 265, 266,
      
 igr2=1303,1304,1303,1304, 432, 433, 432, 433,1303,1304,
      
 &end
#
#    0 AMB  20-2:933      0 AMB  20-1:933    2.80    (#    933:20  Double Ambig)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1=1300,1301,1306,1307,1306,1307,1306,1307,
 igr2=1303,1304,1303,1304,1303,1304,1303,1304,
 &end
#
#   58 LYS  HA           58 LYS  HG+         4.50    (#    934:20  Unique         2.06, 2.69 A)
 &rst
  ixpk= 934, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:935      0 AMB  20-1:935    4.50    (#    935:20  Double Ambig)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 906, 907, 906, 907,
 &end
#
#    0 AMB  20-2:936     58 LYS  HG-         4.50    (#    936:20  Single Ambig)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 906, 907,
 &end
#
#   58 LYS  HB+          58 LYS  HG-         4.50    (#    937:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:938     58 LYS  HG-         2.80    (#    938:20  Single Ambig)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 903, 904, 909, 910,
 igr2= 906, 907,
 &end
#
#   58 LYS  HA           61 LEU  MDX         4.50    (#    939:20  Unique         2.00, 4.39 A)
 &rst
  ixpk= 939, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HG           61 LEU  MDX         3.50    (#    940:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 940, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:941     61 LEU  MDY         2.80    (#    941:20  Single Ambig)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 549, 550, 598, 599, 600, 602, 603, 604,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   58 LYS  HB+          58 LYS  HG+         4.50    (#    943:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904,
 igr2= 906, 907,
 &end
#
#   61 LEU  HA           61 LEU  MDY         3.50    (#    944:20  Unique         2.00, 3.85 A)
 &rst
  ixpk= 944, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HB+          61 LEU  MDY         3.50    (#    945:20  Unique         1.99, 3.25 A)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 959, 960,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HG           61 LEU  MDY         3.50    (#    946:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 946, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:947     61 LEU  MDY         3.50    (#    947:20  Single Ambig)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 549, 550, 959, 960,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:948     61 LEU  MDY         2.80    (#    948:20  Single Ambig)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 468, 469, 470, 472, 473, 474, 545, 546, 547,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:949     61 LEU  MDY         2.80    (#    949:20  Single Ambig)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 740, 741, 742, 744, 745, 746, 468, 469, 470, 472,
       473, 474,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   33 ILE  HG1-         29 VAL  MGY         4.50    (#    950:20  Unique         3.29, 5.97 A)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 549, 550,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:951     29 VAL  MGY         4.50    (#    951:20  Single Ambig)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 543, 519, 520, 946, 947,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   75 LEU  HA            0 AMB  20-1:953    3.50    (#    953:20  Single Ambig)
 &rst
  ixpk= 953, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   82 LYS  HE-           0 AMB  20-1:954    4.50    (#    954:20  Single Ambig)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1271,1272,
 igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#    0 AMB  20-2:955      0 AMB  20-1:955    4.50    (#    955:20  Double Ambig)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1149,1150,1149,1150,
 igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   16 GLU  HG-           0 AMB  20-1:956    4.50    (#    956:20  Single Ambig)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 265, 266,
 igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   75 LEU  HB-           0 AMB  20-1:957    2.80    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1149,1150,
 igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#    0 AMB  20-2:958      0 AMB  20-1:958    2.80    (#    958:20  Double Ambig)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1152, 722, 723,
 igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160, 719, 720,
 &end
#
#   57 ALA  MB           29 VAL  MGY         3.50    (#    960:20  Unique         2.07, 4.93 A)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894, 895,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:961     29 VAL  MGY         3.50    (#    961:20  Single Ambig)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 893, 894, 895, 485, 486,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   24 ILE  HG1-         29 VAL  MGY         4.50    (#    962:20  Unique         5.11, 7.70 A)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 383, 384,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HN           29 VAL  MGY         3.50    (#    963:20  Unique         1.94, 3.81 A)
 &rst
  ixpk= 963, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:964     29 VAL  MGY         3.50    (#    964:20  Single Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 408, 541,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HA           29 VAL  MGY         3.50    (#    965:20  Unique         2.12, 3.43 A)
 &rst
  ixpk= 965, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HB           29 VAL  MGY         3.50    (#    966:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 966, nxpk= 20, iat= 466,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   60 ILE  HG1+         29 VAL  MGY         3.50    (#    967:20  Unique         3.03, 5.31 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 946, 947,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   24 ILE  QG2          29 VAL  MGY         3.50    (#    969:20  Unique         2.00, 4.61 A)
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 379, 380, 381,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:970      0 AMB  20-1:970    2.80    (#    970:20  Double Ambig)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1174,1175,1174,1175,1174,1175,
 igr2=1171,1172,1171,1172,1171,1172,
 &end
#
#   76 LYS  HN            0 AMB  20-1:971    4.50    (#    971:20  Single Ambig)
 &rst
  ixpk= 971, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1171,1172,1171,1172,
 &end
#
#   76 LYS  HB-           0 AMB  20-1:972    2.80    (#    972:20  Single Ambig)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1168,1169,
 igr2=1171,1172,1171,1172,
 &end
#
#    0 AMB  20-2:973      0 AMB  20-1:973    4.50    (#    973:20  Double Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1177,1178,1177,1178,1177,1178,
 igr2=1171,1172,1171,1172,1171,1172,
 &end
#
#   26 LEU  HG           26 LEU  MDY         2.80    (#    974:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 974, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   57 ALA  MB           26 LEU  MDY         2.80    (#    975:20  Unique         1.99, 4.94 A)
 &rst
  ixpk= 975, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 893, 894, 895,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   57 ALA  HN           26 LEU  MDY         4.50    (#    976:20  Unique         2.38, 4.61 A)
 &rst
  ixpk= 976, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:977     26 LEU  MDY         3.50    (#    977:20  Single Ambig)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 876, 877, 844, 845, 105,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   29 VAL  HB           26 LEU  MDY         4.50    (#    978:20  Unique         3.43, 6.14 A)
 &rst
  ixpk= 978, nxpk= 20, iat= 466,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   69 VAL  MGY          46 VAL  MGY         2.80    (#    981:20  Unique         2.23, 5.54 A)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1082,1083,1084,1086,1087,1088,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HN           46 VAL  MGY         4.50    (#    982:20  Unique         1.95, 3.26 A)
 &rst
  ixpk= 982, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HA           46 VAL  MGY         3.50    (#    983:20  Unique         2.17, 3.46 A)
 &rst
  ixpk= 983, nxpk= 20, iat= 736,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:984     46 VAL  MGY         4.50    (#    984:20  Single Ambig)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 858, 859, 856,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HB           46 VAL  MGY         2.80    (#    985:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 985, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   57 ALA  MB           46 VAL  MGY         3.50    (#    986:20  Unique         2.07, 6.14 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894, 895,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   58 LYS  HG-          46 VAL  MGY         4.50    (#    987:20  Unique         2.68, 6.44 A)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 906, 907,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   44 VAL  MGX          46 VAL  MGY         3.50    (#    989:20  Unique         2.00, 6.50 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   61 LEU  MDX          46 VAL  MGY         4.50    (#    990:20  Unique         2.62, 6.28 A)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:991     18 VAL  MGY         3.50    (#    991:20  Single Ambig)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1265,1266,1231,1232,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   66 TYR  HB+          69 VAL  MGY         3.50    (#    992:20  Unique         2.20, 5.55 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1028,1029,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   66 TYR  HB-          69 VAL  MGY         3.50    (#    993:20  Unique         2.20, 5.55 A)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1028,1029,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   18 VAL  HN           18 VAL  MGY         4.50    (#    994:20  Unique         2.04, 3.78 A)
 &rst
  ixpk= 994, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   78 ILE  QD1          18 VAL  MGY         3.50    (#    996:20  Unique         2.34, 6.27 A)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1211,1212,1213,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   18 VAL  HA           18 VAL  MGY         3.50    (#    998:20  Unique         2.20, 3.12 A)
 &rst
  ixpk= 998, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:999     18 VAL  MGY         3.50    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1262,1263, 294,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   78 ILE  QG2          18 VAL  MGY         3.50    (#   1000:20  Unique         2.20, 5.48 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1204,1205,1206,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   69 VAL  HN           69 VAL  MGY         4.50    (#   1001:20  Unique         1.95, 4.09 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   69 VAL  HA           69 VAL  MGY         3.50    (#   1002:20  Unique         2.30, 3.13 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=1078,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:1003    69 VAL  MGY         2.80    (#   1003:20  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 700,1080,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:1004    69 VAL  MGY         2.80    (#   1004:20  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 959, 960, 906, 907, 906, 907,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   61 LEU  MDX           0 AMB  20-1:1005   3.50    (#   1005:20  Single Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   39 ASP  HN           37 VAL  MGY         4.50    (#   1006:20  Unique         2.41, 4.85 A)
 &rst
  ixpk= 1006, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1008    37 VAL  MGY         4.50    (#   1008:20  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 549, 550, 586, 587, 588,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   66 TYR  HE           37 VAL  MGY         3.50    (#   1010:20  Unique         2.00, 5.76 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1034,1039,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HA           37 VAL  MGY         3.50    (#   1011:20  Unique         2.31, 3.15 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1012    37 VAL  MGY         3.50    (#   1012:20  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 626, 627, 674, 675,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   42 ASP  HB-          37 VAL  MGY         4.50    (#   1013:20  Unique         2.95, 5.54 A)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 674, 675,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HB           37 VAL  MGY         2.80    (#   1014:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1014, nxpk= 20, iat= 596,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1016    44 VAL  MGX         4.50    (#   1016:20  Single Ambig)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 712, 696,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  HA           44 VAL  MGX         3.50    (#   1018:20  Unique         2.35, 3.11 A)
 &rst
  ixpk= 1018, nxpk= 20, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  HB           44 VAL  MGX         2.80    (#   1019:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1019, nxpk= 20, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1020    44 VAL  MGX         3.50    (#   1020:20  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=  80,  81,  80,  81,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1021    44 VAL  MGX         2.80    (#   1021:20  Single Ambig)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   69 VAL  HA            0 AMB  20-1:1022   3.50    (#   1022:20  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 20, iat=1078,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1023     0 AMB  20-1:1023   2.80    (#   1023:20  Double Ambig)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
 igr1= 959, 960, 906, 907, 906, 907, 906, 907,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1024     0 AMB  20-1:1024   3.50    (#   1024:20  Double Ambig)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.17, r4= 8.92,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554,
 igr2=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1025    67 THR  MG2         2.80    (#   1025:20  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1049,1047,
 igr2=1051,1052,1053,
 &end
#
#   40 LYS  HB+          67 THR  MG2         4.50    (#   1026:20  Unique         3.29, 6.10 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 638, 639,
 igr2=1051,1052,1053,
 &end
#
#   67 THR  HN           67 THR  MG2         3.50    (#   1029:20  Unique         1.95, 3.29 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1051,1052,1053,
 &end
#
#    0 AMB  20-2:1031    69 VAL  MGX         4.50    (#   1031:20  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1092,1107,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:1032    69 VAL  MGX         3.50    (#   1032:20  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 909, 910, 903, 904,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    9 VAL  HN            9 VAL  MGY         3.50    (#   1033:20  Unique         1.94, 3.05 A)
 &rst
  ixpk= 1033, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HA            9 VAL  MGY         3.50    (#   1034:20  Unique         2.10, 3.39 A)
 &rst
  ixpk= 1034, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1035     9 VAL  MGY         3.50    (#   1035:20  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 158, 159, 158, 159,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HB            9 VAL  MGY         2.80    (#   1036:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1036, nxpk= 20, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   58 LYS  HA           69 VAL  MGX         3.50    (#   1037:20  Unique         2.61, 4.60 A)
 &rst
  ixpk= 1037, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   35 THR  HN           35 THR  MG2         4.50    (#   1038:20  Unique         4.08, 4.67 A)
 &rst
  ixpk= 1038, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 574, 575, 576,
 &end
#
#   35 THR  HB           35 THR  MG2         2.80    (#   1039:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1039, nxpk= 20, iat= 572,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 574, 575, 576,
 &end
#
#    0 AMB  20-2:1040    44 VAL  MGY         3.50    (#   1040:20  Single Ambig)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 712, 696,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   44 VAL  HA           44 VAL  MGY         3.50    (#   1041:20  Unique         2.35, 3.11 A)
 &rst
  ixpk= 1041, nxpk= 20, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1042    44 VAL  MGY         5.50    (#   1042:20  Single Ambig)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 674, 675,  33,  34,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:1043    44 VAL  MGY         4.50    (#   1043:20  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 674, 675,  33,  34,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   37 VAL  MGY          44 VAL  MGY         2.80    (#   1044:20  Unique         2.00, 4.98 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   37 VAL  MGX          44 VAL  MGY         4.50    (#   1045:20  Unique         2.00, 4.98 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   18 VAL  HB           21 ALA  MB          3.50    (#   1048:20  Unique         3.40, 4.51 A)
 &rst
  ixpk= 1048, nxpk= 20, iat= 294,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 334, 335, 336,
 &end
#
#   22 ILE  HN           21 ALA  MB          4.50    (#   1049:20  Unique         1.95, 3.23 A)
 &rst
  ixpk= 1049, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 334, 335, 336,
 &end
#
#   21 ALA  HN           21 ALA  MB          3.50    (#   1050:20  Unique         2.48, 3.24 A)
 &rst
  ixpk= 1050, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 334, 335, 336,
 &end
#
#   21 ALA  HA           21 ALA  MB          3.50    (#   1052:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1052, nxpk= 20, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 334, 335, 336,
 &end
#
#    4 TRP  HB+          21 ALA  MB          3.50    (#   1054:20  Unique         2.00, 3.14 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  50,  51,
 igr2= 334, 335, 336,
 &end
#
#    6 ASP  HB-          21 ALA  MB          4.50    (#   1055:20  Unique         3.05, 5.49 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  93,  94,
 igr2= 334, 335, 336,
 &end
#
#    0 AMB  20-2:1056    21 ALA  MB          4.50    (#   1056:20  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2= 334, 335, 336,
 &end
#
#   44 VAL  HN           43 THR  MG2         4.50    (#   1057:20  Unique         2.12, 3.58 A)
 &rst
  ixpk= 1057, nxpk= 20, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 688, 689, 690,
 &end
#
#   43 THR  HB           43 THR  MG2         3.50    (#   1058:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1058, nxpk= 20, iat= 686,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 688, 689, 690,
 &end
#
#   45 LYS  HG-          43 THR  MG2         4.50    (#   1059:20  Unique         2.76, 4.34 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 719, 720,
 igr2= 688, 689, 690,
 &end
#
#   30 LYS  HN           29 VAL  MGX         4.50    (#   1060:20  Unique         2.04, 3.96 A)
 &rst
  ixpk= 1060, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1061    29 VAL  MGX         3.50    (#   1061:20  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 541, 480,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HA           29 VAL  MGX         3.50    (#   1062:20  Unique         2.12, 3.43 A)
 &rst
  ixpk= 1062, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HB           29 VAL  MGX         3.50    (#   1063:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1063, nxpk= 20, iat= 466,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1064    29 VAL  MGX         3.50    (#   1064:20  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 543, 519, 520, 946, 947,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1065    29 VAL  MGX         3.50    (#   1065:20  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 485, 486, 519, 520, 413, 962,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1066    29 VAL  MGX         4.50    (#   1066:20  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 893, 894, 895, 485, 486,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   45 LYS  HE-          43 THR  MG2         3.50    (#   1068:20  Unique         2.05, 4.56 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 725, 726,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:1069    46 VAL  MGX         3.50    (#   1069:20  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 858, 859, 856,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HN           46 VAL  MGX         3.50    (#   1070:20  Unique         1.95, 3.26 A)
 &rst
  ixpk= 1070, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   71 ASN  HA           46 VAL  MGX         3.50    (#   1071:20  Unique         1.99, 3.91 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=1109,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1072    83 VAL  MGY         4.50    (#   1072:20  Single Ambig)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 273,1296,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HA           83 VAL  MGY         4.50    (#   1073:20  Unique         2.17, 3.45 A)
 &rst
  ixpk= 1073, nxpk= 20, iat=1282,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HG-          83 VAL  MGY         4.50    (#   1074:20  Unique         2.00, 4.40 A)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 313, 314,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HB           83 VAL  MGY         3.50    (#   1075:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1075, nxpk= 20, iat=1284,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#    7 VAL  HN            7 VAL  MGY         4.50    (#   1076:20  Unique         1.92, 3.43 A)
 &rst
  ixpk= 1076, nxpk= 20, iat= 101,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1077     7 VAL  MGY         3.50    (#   1077:20  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 410, 411, 738,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  HA            7 VAL  MGY         3.50    (#   1080:20  Unique         2.23, 3.30 A)
 &rst
  ixpk= 1080, nxpk= 20, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1081     7 VAL  MGY         4.50    (#   1081:20  Single Ambig)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 856, 858, 859, 408,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1082     7 VAL  MGY         3.50    (#   1082:20  Single Ambig)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 105, 844, 845,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   57 ALA  MB            7 VAL  MGY         3.50    (#   1083:20  Unique         1.99, 4.54 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894, 895,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1084    36 ALA  MB          3.50    (#   1084:20  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 353, 354, 355, 346, 347, 348,
 igr2= 586, 587, 588,
 &end
#
#    0 AMB  20-2:1085    36 ALA  MB          4.50    (#   1085:20  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 522, 523, 519, 520, 543,
 igr2= 586, 587, 588,
 &end
#
#   37 VAL  HN           36 ALA  MB          3.50    (#   1086:20  Unique         2.48, 3.48 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 586, 587, 588,
 &end
#
#   36 ALA  HN           36 ALA  MB          3.50    (#   1087:20  Unique         2.11, 3.04 A)
 &rst
  ixpk= 1087, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 586, 587, 588,
 &end
#
#   36 ALA  HA           36 ALA  MB          2.80    (#   1088:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1088, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 586, 587, 588,
 &end
#
#   33 ILE  HA           36 ALA  MB          3.50    (#   1089:20  Unique         2.01, 4.11 A)
 &rst
  ixpk= 1089, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 586, 587, 588,
 &end
#
#   32 ARG  HG-          36 ALA  MB          4.50    (#   1090:20  Unique         3.05, 5.44 A)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 522, 523,
 igr2= 586, 587, 588,
 &end
#
#    0 AMB  20-2:1091    36 ALA  MB          2.80    (#   1091:20  Single Ambig)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 386, 387, 388,  83,  84,  85, 379, 380, 381,
 igr2= 586, 587, 588,
 &end
#
#   37 VAL  MGX          36 ALA  MB          3.50    (#   1092:20  Unique         2.54, 5.74 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 586, 587, 588,
 &end
#
#    2 GLU  HN            1 ALA  MB          4.50    (#   1095:20  Unique         2.59, 4.07 A)
 &rst
  ixpk= 1095, nxpk= 20, iat=  14,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=   8,   9,  10,
 &end
#
#    1 ALA  HA            1 ALA  MB          3.50    (#   1097:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=   8,   9,  10,
 &end
#
#   47 TYR  HB-          72 ALA  MB          3.50    (#   1098:20  Unique         2.00, 4.20 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 754, 755,
 igr2=1125,1126,1127,
 &end
#
#   72 ALA  HN           72 ALA  MB          3.50    (#   1099:20  Unique         2.06, 2.98 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1125,1126,1127,
 &end
#
#    4 TRP  HZ3          72 ALA  MB          4.50    (#   1100:20  Unique         3.73, 4.79 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=  63,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1125,1126,1127,
 &end
#
#   72 ALA  HA           72 ALA  MB          3.50    (#   1101:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1101, nxpk= 20, iat=1123,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:1102    72 ALA  MB          3.50    (#   1102:20  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 716, 717, 716, 717,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:1104    83 VAL  MGX         4.50    (#   1104:20  Single Ambig)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 273,1296,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  HA           83 VAL  MGX         4.50    (#   1105:20  Unique         2.17, 3.45 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=1282,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  20-2:1106    83 VAL  MGX         3.50    (#   1106:20  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1280, 283,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HA           83 VAL  MGX         3.50    (#   1107:20  Unique         2.25, 4.60 A)
 &rst
  ixpk= 1107, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   19 GLN  HN           18 VAL  MGX         4.50    (#   1108:20  Unique         2.13, 4.18 A)
 &rst
  ixpk= 1108, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   18 VAL  HA           18 VAL  MGX         4.50    (#   1109:20  Unique         2.20, 3.12 A)
 &rst
  ixpk= 1109, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:1110    18 VAL  MGX         3.50    (#   1110:20  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1262,1263, 294,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   37 VAL  HN           37 VAL  MGX         4.50    (#   1111:20  Unique         2.01, 4.10 A)
 &rst
  ixpk= 1111, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HA           37 VAL  MGX         3.50    (#   1112:20  Unique         2.31, 3.15 A)
 &rst
  ixpk= 1112, nxpk= 20, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1113    37 VAL  MGX         3.50    (#   1113:20  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 549, 550, 586, 587, 588,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   42 ASP  HB-          37 VAL  MGX         5.50    (#   1115:20  Unique         2.95, 5.54 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 674, 675,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HB           37 VAL  MGX         3.50    (#   1116:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1116, nxpk= 20, iat= 596,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    5 ILE  QD1          37 VAL  MGX         2.80    (#   1117:20  Unique         2.35, 5.35 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  83,  84,  85,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1118    18 VAL  MGX         4.50    (#   1118:20  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1265,1266,1231,1232,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:1119    83 VAL  MGX         3.50    (#   1119:20  Single Ambig)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 313, 314, 313, 314,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#   33 ILE  HN           33 ILE  QG2         3.50    (#   1120:20  Unique         1.97, 3.09 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 545, 546, 547,
 &end
#
#   66 TYR  HE           33 ILE  QG2         4.50    (#   1121:20  Unique         2.10, 5.37 A)
 &rst
  ixpk= 1121, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1034,1039,
 igr2= 545, 546, 547,
 &end
#
#   33 ILE  HG1-         33 ILE  QG2         2.80    (#   1122:20  Unique         2.22, 3.11 A)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 549, 550,
 igr2= 545, 546, 547,
 &end
#
#   60 ILE  QD1          33 ILE  QG2         4.50    (#   1123:20  Unique         4.39, 6.77 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 949, 950, 951,
 igr2= 545, 546, 547,
 &end
#
#   24 ILE  HG1-         24 ILE  QG2         3.50    (#   1124:20  Unique         2.43, 3.48 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 383, 384,
 igr2= 379, 380, 381,
 &end
#
#   24 ILE  HG1+         24 ILE  QG2         3.50    (#   1125:20  Unique         2.43, 3.48 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 383, 384,
 igr2= 379, 380, 381,
 &end
#
#   34 ALA  HN           33 ILE  QG2         3.50    (#   1127:20  Unique         2.00, 3.12 A)
 &rst
  ixpk= 1127, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 545, 546, 547,
 &end
#
#   30 LYS  HA           33 ILE  QG2         4.50    (#   1128:20  Unique         2.02, 3.44 A)
 &rst
  ixpk= 1128, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 545, 546, 547,
 &end
#
#   64 MET  ME           33 ILE  QG2         3.50    (#   1129:20  Unique         1.98, 3.30 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1011,1012,1013,
 igr2= 545, 546, 547,
 &end
#
#   33 ILE  HB           33 ILE  QG2         2.80    (#   1130:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 1130, nxpk= 20, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 545, 546, 547,
 &end
#
#   60 ILE  HG1+         33 ILE  QG2         4.50    (#   1131:20  Unique         4.89, 6.79 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 946, 947,
 igr2= 545, 546, 547,
 &end
#
#   33 ILE  HG1+         33 ILE  QG2         3.50    (#   1132:20  Unique         2.22, 3.11 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 549, 550,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:1133    33 ILE  QG2         3.50    (#   1133:20  Single Ambig)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.60, r4= 7.35,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970, 552, 553, 554,
 igr2= 545, 546, 547,
 &end
#
#   24 ILE  HA           24 ILE  QG2         3.50    (#   1134:20  Unique         2.25, 3.09 A)
 &rst
  ixpk= 1134, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 379, 380, 381,
 &end
#
#   29 VAL  HA           24 ILE  QG2         2.80    (#   1135:20  Unique         2.02, 2.65 A)
 &rst
  ixpk= 1135, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 379, 380, 381,
 &end
#
#    0 AMB  20-2:1136    24 ILE  QG2         4.50    (#   1136:20  Single Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 525, 526, 525, 526,
 igr2= 379, 380, 381,
 &end
#
#    0 AMB  20-2:1137    24 ILE  QG2         3.50    (#   1137:20  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 519, 520, 522, 523,
 igr2= 379, 380, 381,
 &end
#
#   24 ILE  HB           24 ILE  QG2         2.80    (#   1138:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1138, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 379, 380, 381,
 &end
#
#   29 VAL  MGY          24 ILE  QG2         2.80    (#   1139:20  Unique         2.00, 4.61 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 468, 469, 470, 472, 473, 474,
 igr2= 379, 380, 381,
 &end
#
#    0 AMB  20-2:1140     9 VAL  MGX         4.50    (#   1140:20  Single Ambig)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 158, 159, 158, 159,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   57 ALA  HN           57 ALA  MB          3.50    (#   1141:20  Unique         2.19, 2.96 A)
 &rst
  ixpk= 1141, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 893, 894, 895,
 &end
#
#   58 LYS  HN           57 ALA  MB          4.50    (#   1142:20  Unique         2.39, 3.73 A)
 &rst
  ixpk= 1142, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1143    57 ALA  MB          2.80    (#   1143:20  Single Ambig)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 891, 856, 408,
 igr2= 893, 894, 895,
 &end
#
#   26 LEU  HB+          57 ALA  MB          3.50    (#   1144:20  Unique         1.99, 4.52 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 410, 411,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1145    57 ALA  MB          3.50    (#   1145:20  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 413, 962,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1146    57 ALA  MB          5.50    (#   1146:20  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 959, 960, 906, 907, 906, 907,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1147    57 ALA  MB          2.80    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 740, 741, 742, 744, 745, 746, 949, 950, 951,
 igr2= 893, 894, 895,
 &end
#
#   61 LEU  MDX          57 ALA  MB          4.50    (#   1148:20  Unique         2.01, 5.23 A)
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 964, 965, 966, 968, 969, 970,
 igr2= 893, 894, 895,
 &end
#
#   11 GLU  HN            9 VAL  MGX         4.50    (#   1149:20  Unique         2.81, 4.20 A)
 &rst
  ixpk= 1149, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HN            9 VAL  MGX         3.50    (#   1150:20  Unique         1.94, 3.05 A)
 &rst
  ixpk= 1150, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   12 GLN  HN            9 VAL  MGX         3.50    (#   1151:20  Unique         1.94, 4.22 A)
 &rst
  ixpk= 1151, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HA            9 VAL  MGX         4.50    (#   1152:20  Unique         2.10, 3.39 A)
 &rst
  ixpk= 1152, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  HB            9 VAL  MGX         2.80    (#   1153:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1153, nxpk= 20, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   12 GLN  HG-           9 VAL  MGX         3.50    (#   1154:20  Unique         2.05, 4.67 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 193, 194,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   12 GLN  HB+           9 VAL  MGX         3.50    (#   1155:20  Unique         1.96, 4.90 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 190, 191,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:1156     9 VAL  MGX         3.50    (#   1156:20  Single Ambig)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 190, 191, 175, 176,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   25 PRO  HB-           9 VAL  MGX         5.50    (#   1157:20  Unique         3.64, 5.80 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 399, 400,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   34 ALA  HN           34 ALA  MB          3.50    (#   1159:20  Unique         2.16, 2.94 A)
 &rst
  ixpk= 1159, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 562, 563, 564,
 &end
#
#   35 THR  HN           34 ALA  MB          4.50    (#   1160:20  Unique         2.52, 3.86 A)
 &rst
  ixpk= 1160, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 562, 563, 564,
 &end
#
#   34 ALA  HA           34 ALA  MB          2.80    (#   1161:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 1161, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 562, 563, 564,
 &end
#
#   26 LEU  HB+          57 ALA  MB          3.50    (#   1162:20  Unique         1.99, 4.52 A)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 410, 411,
 igr2= 893, 894, 895,
 &end
#
#   46 VAL  HB           57 ALA  MB          5.50    (#   1163:20  Unique         3.71, 5.68 A)
 &rst
  ixpk= 1163, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:1164    57 ALA  MB          3.50    (#   1164:20  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 413, 962,
 igr2= 893, 894, 895,
 &end
#
#    7 VAL  HN            7 VAL  MGX         3.50    (#   1165:20  Unique         1.92, 3.43 A)
 &rst
  ixpk= 1165, nxpk= 20, iat= 101,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1166     7 VAL  MGX         4.50    (#   1166:20  Single Ambig)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 466, 121, 122,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   46 VAL  HB            7 VAL  MGX         4.50    (#   1167:20  Unique         2.00, 3.52 A)
 &rst
  ixpk= 1167, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   57 ALA  MB            7 VAL  MGX         3.50    (#   1168:20  Unique         1.99, 4.54 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894, 895,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1170    78 ILE  QG2         3.50    (#   1170:20  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1227,  61,
 igr2=1204,1205,1206,
 &end
#
#   78 ILE  HA           78 ILE  QG2         4.50    (#   1171:20  Unique         2.33, 3.10 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1204,1205,1206,
 &end
#
#   80 MET  HG+          78 ILE  QG2         3.50    (#   1172:20  Unique         2.01, 4.68 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1234,1235,
 igr2=1204,1205,1206,
 &end
#
#   78 ILE  HG1-         78 ILE  QG2         3.50    (#   1173:20  Unique         2.06, 3.39 A)
 &rst
  ixpk= 1173, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1208,1209,
 igr2=1204,1205,1206,
 &end
#
#   80 MET  HB+          78 ILE  QG2         3.50    (#   1174:20  Unique         2.03, 3.86 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1231,1232,
 igr2=1204,1205,1206,
 &end
#
#    0 AMB  20-2:1175    78 ILE  QG2         2.80    (#   1175:20  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1=1234,1235,1268,1269,1202,
 igr2=1204,1205,1206,
 &end
#
#    0 AMB  20-2:1176    78 ILE  QG2         3.50    (#   1176:20  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1231,1232,1208,1209,
 igr2=1204,1205,1206,
 &end
#
#   18 VAL  MGY          78 ILE  QG2         3.50    (#   1177:20  Unique         2.20, 5.48 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1204,1205,1206,
 &end
#
#    0 AMB  20-2:1178     7 VAL  MGX         3.50    (#   1178:20  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 856, 858, 859, 408,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   54 SER  HB-           7 VAL  MGX         5.50    (#   1179:20  Unique         2.00, 5.10 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 858, 859,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1180     7 VAL  MGX         3.50    (#   1180:20  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 105, 844, 845,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:1181     7 VAL  MGX         4.50    (#   1181:20  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 876, 877, 399, 400,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   23 ASN  HN           22 ILE  QG2         4.50    (#   1182:20  Unique         3.51, 4.43 A)
 &rst
  ixpk= 1182, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  20-2:1183    22 ILE  QG2         3.50    (#   1183:20  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351, 377,
 igr2= 346, 347, 348,
 &end
#
#   24 ILE  HG1-         22 ILE  QG2         4.50    (#   1184:20  Unique         2.03, 4.09 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 383, 384,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  20-2:1185    22 ILE  QG2         4.50    (#   1185:20  Single Ambig)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 386, 387, 388,  76,  77,  78,
 igr2= 346, 347, 348,
 &end
#
#   22 ILE  HA           22 ILE  QG2         3.50    (#   1186:20  Unique         2.40, 3.84 A)
 &rst
  ixpk= 1186, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 346, 347, 348,
 &end
#
#   22 ILE  HB           22 ILE  QG2         2.80    (#   1187:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1187, nxpk= 20, iat= 344,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  20-2:1188    22 ILE  QG2         2.80    (#   1188:20  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 350, 351, 586, 587, 588,
 igr2= 346, 347, 348,
 &end
#
#    3 HIS  HB+          22 ILE  QG2         5.50    (#   1191:20  Unique         3.06, 5.55 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  33,  34,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  20-2:1194    22 ILE  QG2         5.50    (#   1194:20  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 522, 523, 519, 520,
 igr2= 346, 347, 348,
 &end
#
#    0 AMB  20-2:1196    22 ILE  QG2         3.50    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  80,  81,  80,  81,
 igr2= 346, 347, 348,
 &end
#
#   66 TYR  HE           64 MET  ME          4.50    (#   1198:20  Unique         3.65, 6.74 A)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1034,1039,
 igr2=1011,1012,1013,
 &end
#
#   30 LYS  HA           64 MET  ME          3.50    (#   1199:20  Unique         1.99, 3.14 A)
 &rst
  ixpk= 1199, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1011,1012,1013,
 &end
#
#   64 MET  HG+          64 MET  ME          3.50    (#   1200:20  Unique         2.02, 3.47 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1007,1008,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1201    64 MET  ME          2.80    (#   1201:20  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1004,1005,1007,1008,
 igr2=1011,1012,1013,
 &end
#
#   64 MET  HB-          64 MET  ME          3.50    (#   1202:20  Unique         2.00, 4.17 A)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1004,1005,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1203    64 MET  ME          4.50    (#   1203:20  Single Ambig)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 946, 947, 940, 482, 483, 543,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1204    64 MET  ME          4.50    (#   1204:20  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 485, 486, 962,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1205    64 MET  ME          4.50    (#   1205:20  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 485, 486, 562, 563, 564,
 igr2=1011,1012,1013,
 &end
#
#   33 ILE  QG2          64 MET  ME          2.80    (#   1206:20  Unique         1.98, 3.30 A)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 545, 546, 547,
 igr2=1011,1012,1013,
 &end
#
#    0 AMB  20-2:1207    64 MET  ME          4.50    (#   1207:20  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 igr2=1011,1012,1013,
 &end
#
#   22 ILE  HB           22 ILE  QG2         2.80    (#   1208:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1208, nxpk= 20, iat= 344,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 346, 347, 348,
 &end
#
#   79 ALA  HN           79 ALA  MB          4.50    (#   1209:20  Unique         2.09, 3.05 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=1217,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1221,1222,1223,
 &end
#
#   79 ALA  HA           79 ALA  MB          3.50    (#   1210:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=1219,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1221,1222,1223,
 &end
#
#    6 ASP  HN            5 ILE  QG2         4.50    (#   1211:20  Unique         3.27, 4.43 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1212     5 ILE  QG2         4.50    (#   1212:20  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 373, 101,
 igr2=  76,  77,  78,
 &end
#
#    5 ILE  HA            5 ILE  QG2         3.50    (#   1213:20  Unique         2.37, 3.12 A)
 &rst
  ixpk= 1213, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1214     0 AMB  20-1:1214   3.50    (#   1214:20  Double Ambig)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=  74, 940, 946, 947,
 igr2=  76,  77,  78, 942, 943, 944,
 &end
#
#   24 ILE  HB            5 ILE  QG2         5.50    (#   1215:20  Unique         2.00, 2.87 A)
 &rst
  ixpk= 1215, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  76,  77,  78,
 &end
#
#   36 ALA  MB            5 ILE  QG2         5.50    (#   1216:20  Unique         2.66, 6.09 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 586, 587, 588,
 igr2=  76,  77,  78,
 &end
#
#    0 AMB  20-2:1217     0 AMB  20-1:1217   3.50    (#   1217:20  Double Ambig)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  80,  81,  80,  81, 946, 947,
 igr2=  76,  77,  78, 942, 943, 944,
 &end
#
#    0 AMB  20-2:1218     5 ILE  QG2         2.80    (#   1218:20  Single Ambig)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1= 107, 108, 109, 111, 112, 113, 740, 741, 742, 744,
       745, 746, 383, 384,
 igr2=  76,  77,  78,
 &end
#
#    4 TRP  HE1          80 MET  ME          4.50    (#   1219:20  Unique         2.04, 3.87 A)
 &rst
  ixpk= 1219, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1238,1239,1240,
 &end
#
#   81 PRO  HD-          80 MET  ME          4.50    (#   1220:20  Unique         2.01, 5.04 A)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1245,1246,
 igr2=1238,1239,1240,
 &end
#
#   80 MET  HB-          80 MET  ME          4.50    (#   1221:20  Unique         2.00, 3.37 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1231,1232,
 igr2=1238,1239,1240,
 &end
#
#   18 VAL  MGX          80 MET  ME          3.50    (#   1222:20  Unique         2.00, 4.78 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1238,1239,1240,
 &end
#
#   33 ILE  HB           33 ILE  QD1         3.50    (#   1223:20  Unique         2.30, 3.06 A)
 &rst
  ixpk= 1223, nxpk= 20, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 552, 553, 554,
 &end
#
#   33 ILE  HA           33 ILE  QD1         3.50    (#   1224:20  Unique         1.98, 2.98 A)
 &rst
  ixpk= 1224, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1225    33 ILE  QD1         2.80    (#   1225:20  Single Ambig)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 549, 550, 586, 587, 588,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1226    33 ILE  QD1         4.50    (#   1226:20  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 946, 947,  80,  81,  80,  81,
 igr2= 552, 553, 554,
 &end
#
#   29 VAL  MGY          33 ILE  QD1         3.50    (#   1227:20  Unique         1.98, 5.47 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 468, 469, 470, 472, 473, 474,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1228    33 ILE  QD1         2.80    (#   1228:20  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 598, 599, 600, 602, 603, 604, 549, 550,
 igr2= 552, 553, 554,
 &end
#
#   37 VAL  MGX          33 ILE  QD1         3.50    (#   1229:20  Unique         2.00, 4.56 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 552, 553, 554,
 &end
#
#   47 TYR  HB-          78 ILE  QD1         4.50    (#   1230:20  Unique         2.19, 4.06 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 754, 755,
 igr2=1211,1212,1213,
 &end
#
#   78 ILE  HG1-         78 ILE  QD1         3.50    (#   1231:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1208,1209,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:1232    78 ILE  QD1         3.50    (#   1232:20  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1202,1268,1269,
 igr2=1211,1212,1213,
 &end
#
#   78 ILE  HG1+         78 ILE  QD1         3.50    (#   1233:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1208,1209,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:1234    78 ILE  QD1         4.50    (#   1234:20  Single Ambig)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 igr2=1211,1212,1213,
 &end
#
#   18 VAL  MGY          78 ILE  QD1         4.50    (#   1235:20  Unique         2.34, 6.27 A)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1211,1212,1213,
 &end
#
#   75 LEU  HA           78 ILE  QD1         3.50    (#   1236:20  Unique         2.37, 4.11 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=1147,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1211,1212,1213,
 &end
#
#   47 TYR  HB+          78 ILE  QD1         4.50    (#   1237:20  Unique         2.19, 4.06 A)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 754, 755,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:1238    60 ILE  QD1         4.50    (#   1238:20  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 485, 486, 413,
 igr2= 949, 950, 951,
 &end
#
#   57 ALA  HA           60 ILE  QD1         3.50    (#   1239:20  Unique         2.09, 3.07 A)
 &rst
  ixpk= 1239, nxpk= 20, iat= 891,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 949, 950, 951,
 &end
#
#   56 GLN  HB-          60 ILE  QD1         4.50    (#   1240:20  Unique         4.98, 6.55 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 876, 877,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:1241    60 ILE  QD1         2.80    (#   1241:20  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
 igr1= 946, 947, 940, 482, 483, 410, 411,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:1242    60 ILE  QD1         4.50    (#   1242:20  Single Ambig)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 485, 486, 893, 894, 895,
 igr2= 949, 950, 951,
 &end
#
#   60 ILE  HG1+         60 ILE  QD1         2.80    (#   1243:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 946, 947,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:1244     0 AMB  20-1:1244   3.50    (#   1244:20  Double Ambig)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 946, 947, 344, 940, 482, 483, 410, 411,
 igr2= 949, 950, 951, 353, 354, 355,
 &end
#
#   33 ILE  HA           24 ILE  QD1         4.50    (#   1245:20  Unique         3.56, 4.97 A)
 &rst
  ixpk= 1245, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  20-2:1246    24 ILE  QD1         3.50    (#   1246:20  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 522, 523, 519, 520, 344,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  20-2:1247    24 ILE  QD1         3.50    (#   1247:20  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351, 377,
 igr2= 386, 387, 388,
 &end
#
#   36 ALA  MB           24 ILE  QD1         2.80    (#   1248:20  Unique         2.09, 3.38 A)
 &rst
  ixpk= 1248, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 586, 587, 588,
 igr2= 386, 387, 388,
 &end
#
#   24 ILE  HG1-         24 ILE  QD1         2.80    (#   1249:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 383, 384,
 igr2= 386, 387, 388,
 &end
#
#   24 ILE  HG1+         24 ILE  QD1         2.80    (#   1250:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 383, 384,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  20-2:1252    22 ILE  QD1         3.50    (#   1252:20  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 386, 387, 388,  83,  84,  85,
 igr2= 353, 354, 355,
 &end
#
#   22 ILE  HG1-         22 ILE  QD1         3.50    (#   1253:20  Unique         2.22, 2.62 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 350, 351,
 igr2= 353, 354, 355,
 &end
#
#    0 AMB  20-2:1254    22 ILE  QD1         2.80    (#   1254:20  Single Ambig)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 586, 587, 588, 350, 351,
 igr2= 353, 354, 355,
 &end
#
#    0 AMB  20-2:1255    22 ILE  QD1         3.50    (#   1255:20  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  80,  81,  80,  81,
 igr2= 353, 354, 355,
 &end
#
#    0 AMB  20-2:1256     5 ILE  QD1         5.50    (#   1256:20  Single Ambig)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 350, 351, 377,
 igr2=  83,  84,  85,
 &end
#
#   36 ALA  MB            5 ILE  QD1         4.50    (#   1257:20  Unique         2.51, 6.16 A)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 586, 587, 588,
 igr2=  83,  84,  85,
 &end
#
#    0 AMB  20-2:1258     5 ILE  QD1         3.50    (#   1258:20  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  80,  81,  80,  81,
 igr2=  83,  84,  85,
 &end
#
#    0 AMB  20-2:1259     5 ILE  QD1         3.50    (#   1259:20  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1= 702, 703, 704, 706, 707, 708, 353, 354, 355,
 igr2=  83,  84,  85,
 &end
#
#   44 VAL  MGY           5 ILE  QD1         3.50    (#   1260:20  Unique         2.00, 3.94 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=  83,  84,  85,
 &end
#
#   37 VAL  MGX           5 ILE  QD1         3.50    (#   1261:20  Unique         2.35, 5.35 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2=  83,  84,  85,
 &end
#
#    0 AMB  20-2:1262     5 ILE  QD1         4.50    (#   1262:20  Single Ambig)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  72, 714,
 igr2=  83,  84,  85,
 &end
#
#    5 ILE  HB            5 ILE  QD1         3.50    (#   1263:20  Unique         2.04, 2.89 A)
 &rst
  ixpk= 1263, nxpk= 20, iat=  74,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  83,  84,  85,
 &end
#
#   67 THR  HN           67 THR  HB          5.50    (#   1264:20  Unique         2.84, 3.49 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=1045,1049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 ARG  HA           35 THR  HB          5.50    (#   1267:20  Unique         2.72, 3.72 A)
 &rst
  ixpk= 1267, nxpk= 20, iat= 517, 572, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1268    29 VAL  HA          5.50    (#   1268:20  Single Ambig)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 541, 480,
 &end
#
#   32 ARG  HN           29 VAL  HA          5.50    (#   1269:20  Unique         2.89, 3.18 A)
 &rst
  ixpk= 1269, nxpk= 20, iat= 515, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 TYR  HB+          10 PRO  HA          4.50    (#   1270:20  Unique         2.50, 3.07 A)
 &rst
  ixpk= 1270, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#    0 AMB  20-2:1271    10 PRO  HA          5.50    (#   1271:20  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 158, 159, 158, 159,
 &end
#
#   14 GLN  HN           10 PRO  HA          5.50    (#   1272:20  Unique         4.36, 5.13 A)
 &rst
  ixpk= 1272, nxpk= 20, iat= 224, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 GLU  HN           10 PRO  HA          5.50    (#   1273:20  Unique         3.37, 3.39 A)
 &rst
  ixpk= 1273, nxpk= 20, iat= 171, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1274    60 ILE  HA          5.50    (#   1274:20  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 928, 929, 992, 993,
 &end
#
#    0 AMB  20-2:1275    60 ILE  HA          5.50    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 923, 957, 987, 978, 979,
 &end
#
#   61 LEU  HN           60 ILE  HA          5.50    (#   1276:20  Unique         3.46, 3.50 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 955, 938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 ALA  MB           38 PRO  HA          5.50    (#   1277:20  Unique         3.03, 6.12 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 562, 563, 564,
 &end
#
#   38 PRO  HD-          38 PRO  HA          5.50    (#   1278:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   38 PRO  HD+          38 PRO  HA          5.50    (#   1279:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   39 ASP  HN           38 PRO  HA          5.50    (#   1280:20  Unique         3.39, 3.44 A)
 &rst
  ixpk= 1280, nxpk= 20, iat= 622, 618, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 GLN  HA           18 VAL  HA          5.50    (#   1281:20  Unique         4.31, 4.36 A)
 &rst
  ixpk= 1281, nxpk= 20, iat= 308, 292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 VAL  MGY          18 VAL  HA          5.50    (#   1282:20  Unique         2.97, 5.60 A)
 &rst
  ixpk= 1282, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   21 ALA  MB           18 VAL  HA          5.50    (#   1283:20  Unique         5.50, 6.57 A)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 334, 335, 336,
 &end
#
#   18 VAL  HN           18 VAL  HA          4.50    (#   1284:20  Unique         2.28, 2.77 A)
 &rst
  ixpk= 1284, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 VAL  HN           18 VAL  HA          5.50    (#   1285:20  Unique         3.21, 3.66 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=1280, 292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1286    35 THR  HA          5.50    (#   1286:20  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1, 570, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 612, 613, 612, 613,
 &end
#
#   34 ALA  MB           35 THR  HA          5.50    (#   1287:20  Unique         4.15, 5.07 A)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1, 570, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 562, 563, 564,
 &end
#
#    0 AMB  20-2:1288    35 THR  HA          3.50    (#   1288:20  Single Ambig)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1, 570, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 574, 575, 576, 578,
 &end
#
#   82 LYS  HG+          81 PRO  HA          4.50    (#   1291:20  Unique         3.82, 4.86 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1265,1266,
 &end
#
#   82 LYS  HD+          81 PRO  HA          4.50    (#   1292:20  Unique         2.43, 3.44 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1268,1269,
 &end
#
#   81 PRO  HB+          81 PRO  HA          3.50    (#   1293:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1251,1252,
 &end
#
#   81 PRO  HD-          81 PRO  HA          5.50    (#   1294:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1245,1246,
 &end
#
#   81 PRO  HD+          81 PRO  HA          5.50    (#   1295:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1245,1246,
 &end
#
#   68 HIS  HN           67 THR  HA          5.50    (#   1296:20  Unique         2.40, 2.97 A)
 &rst
  ixpk= 1296, nxpk= 20, iat=1059,1047, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1297     0 AMB  20-1:1297   5.50    (#   1297:20  Double Ambig)
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2=1047, 978, 979,
 &end
#
#   63 GLU  HN            0 AMB  20-1:1298   4.50    (#   1298:20  Single Ambig)
 &rst
  ixpk= 1298, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 978, 979, 978, 979,
 &end
#
#   63 GLU  HN            0 AMB  20-1:1299   5.50    (#   1299:20  Single Ambig)
 &rst
  ixpk= 1299, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 978, 979, 978, 979,
 &end
#
#    0 AMB  20-2:1301     0 AMB  20-1:1301   5.50    (#   1301:20  Double Ambig)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 978, 979, 978, 979, 978, 979,
 &end
#
#    0 AMB  20-2:1302    62 SER  HA          3.50    (#   1302:20  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1, 976, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 978, 979, 978, 979,
 &end
#
#   37 VAL  MGX          33 ILE  HA          5.50    (#   1304:20  Unique         2.73, 5.26 A)
 &rst
  ixpk= 1304, nxpk= 20, iat=  -1, 541, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   34 ALA  HN           33 ILE  HA          5.50    (#   1305:20  Unique         3.41, 3.46 A)
 &rst
  ixpk= 1305, nxpk= 20, iat= 558, 541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1306     0 AMB  20-1:1306   5.50    (#   1306:20  Double Ambig)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 515, 141,
 igr2= 541, 402,
 &end
#
#    0 AMB  20-2:1307    44 VAL  HA          4.50    (#   1307:20  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 716, 717, 716, 717,
 &end
#
#    0 AMB  20-2:1309    44 VAL  HA          5.50    (#   1309:20  Single Ambig)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  33,  34, 674, 675,
 &end
#
#   14 GLN  HN           13 TYR  HA          5.50    (#   1311:20  Unique         3.42, 3.53 A)
 &rst
  ixpk= 1311, nxpk= 20, iat= 224, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  MGX          54 SER  HB-         5.50    (#   1312:20  Unique         2.00, 5.10 A)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 858, 859,
 &end
#
#   47 TYR  HA           54 SER  HB-         5.50    (#   1313:20  Unique         3.33, 4.36 A)
 &rst
  ixpk= 1313, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#   46 VAL  HA           54 SER  HB-         5.50    (#   1314:20  Unique         4.32, 5.65 A)
 &rst
  ixpk= 1314, nxpk= 20, iat= 736,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 858, 859,
 &end
#
#   46 VAL  MGX          54 SER  HB-         5.50    (#   1315:20  Unique         2.00, 4.85 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 740, 741, 742, 744, 745, 746,
 igr2= 858, 859,
 &end
#
#   15 GLN  HN           13 TYR  HA          5.50    (#   1317:20  Unique         3.65, 4.07 A)
 &rst
  ixpk= 1317, nxpk= 20, iat= 241, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 VAL  HA            0 AMB  20-1:1318   5.50    (#   1318:20  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 20, iat= 736,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 858, 859, 856,
 &end
#
#   54 SER  HN            0 AMB  20-1:1319   5.50    (#   1319:20  Single Ambig)
 &rst
  ixpk= 1319, nxpk= 20, iat= 854,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 858, 859, 856,
 &end
#
#   57 ALA  HN           54 SER  HA          5.50    (#   1320:20  Unique         3.25, 3.65 A)
 &rst
  ixpk= 1320, nxpk= 20, iat= 889, 856, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 VAL  HB            0 AMB  20-1:1321   5.50    (#   1321:20  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 856, 858, 859,
 &end
#
#    7 VAL  MGY           0 AMB  20-1:1322   4.50    (#   1322:20  Single Ambig)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 856, 858, 859,
 &end
#
#   25 PRO  HB-           9 VAL  HA          5.50    (#   1323:20  Unique         2.07, 2.75 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 399, 400,
 &end
#
#   11 GLU  HN            9 VAL  HA          5.50    (#   1324:20  Unique         3.91, 3.92 A)
 &rst
  ixpk= 1324, nxpk= 20, iat= 171, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 LEU  MDX          58 LYS  HA          5.50    (#   1325:20  Unique         2.00, 4.39 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#    0 AMB  20-2:1326    30 LYS  HA          5.50    (#   1326:20  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 466, 504, 505, 504, 505,
 &end
#
#   31 GLU  HN           30 LYS  HA          5.50    (#   1327:20  Unique         3.44, 3.49 A)
 &rst
  ixpk= 1327, nxpk= 20, iat= 500, 480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1328    11 GLU  HA          4.50    (#   1328:20  Single Ambig)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1, 173, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 231, 232, 231, 232,
 &end
#
#   14 GLN  HN           11 GLU  HA          4.50    (#   1329:20  Unique         4.27, 4.47 A)
 &rst
  ixpk= 1329, nxpk= 20, iat= 224, 173, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HN           11 GLU  HA          5.50    (#   1330:20  Unique         3.42, 3.46 A)
 &rst
  ixpk= 1330, nxpk= 20, iat= 186, 173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1331     7 VAL  HA          5.50    (#   1331:20  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 20, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 377, 893, 894, 895,
 &end
#
#    0 AMB  20-2:1332    69 VAL  HA          5.50    (#   1332:20  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1,1078, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 702, 703, 704, 706, 707, 708, 719, 720,
 &end
#
#    0 AMB  20-2:1333     0 AMB  20-1:1333   3.50    (#   1333:20  Double Ambig)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 959, 960, 482, 483,
 igr2= 901, 480,
 &end
#
#    0 AMB  20-2:1334     0 AMB  20-1:1334   3.50    (#   1334:20  Double Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1=1011,1012,1013, 903, 904,
 igr2= 480, 901,
 &end
#
#    0 AMB  20-2:1335     0 AMB  20-1:1335   5.50    (#   1335:20  Double Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 921, 462,
 igr2= 901, 480,
 &end
#
#    0 AMB  20-2:1336     0 AMB  20-1:1336   4.50    (#   1336:20  Double Ambig)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 955, 539,
 igr2= 901, 480,
 &end
#
#   52 ARG  HG+          52 ARG  HA          4.50    (#   1337:20  Unique         2.20, 2.92 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 820, 821,
 &end
#
#    0 AMB  20-2:1338    83 VAL  HA          5.50    (#   1338:20  Single Ambig)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,1282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1300,1301, 265, 266, 310, 311,
 &end
#
#   40 LYS  HG-          66 TYR  HA          5.50    (#   1339:20  Unique         2.00, 4.68 A)
 &rst
  ixpk= 1339, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 641, 642,
 &end
#
#    0 AMB  20-2:1340    66 TYR  HA          5.50    (#   1340:20  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1341    66 TYR  HA          4.50    (#   1341:20  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 641, 642, 644, 645,
 &end
#
#   66 TYR  HD           66 TYR  HA          5.50    (#   1342:20  Unique         2.12, 3.55 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1032,1041,
 &end
#
#    0 AMB  20-2:1344    52 ARG  HA          5.50    (#   1344:20  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 823, 824, 823, 824,
 &end
#
#    0 AMB  20-2:1345    59 GLU  HA          5.50    (#   1345:20  Single Ambig)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1, 923, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 906, 907, 959, 960,
 &end
#
#   22 ILE  HG1-         22 ILE  HA          5.50    (#   1346:20  Unique         2.19, 2.79 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 350, 351,
 &end
#
#   23 ASN  HN           22 ILE  HA          3.50    (#   1348:20  Unique         2.14, 2.26 A)
 &rst
  ixpk= 1348, nxpk= 20, iat= 359, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1349     0 AMB  20-1:1349   5.50    (#   1349:20  Double Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 425, 974,
 igr2= 427, 923,
 &end
#
#   26 LEU  MDY          56 GLN  HA          5.50    (#   1350:20  Unique         3.93, 5.49 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#   57 ALA  HN           56 GLN  HA          5.50    (#   1351:20  Unique         3.40, 3.47 A)
 &rst
  ixpk= 1351, nxpk= 20, iat= 889, 874, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 GLU  HN           15 GLN  HA          5.50    (#   1352:20  Unique         2.17, 3.01 A)
 &rst
  ixpk= 1352, nxpk= 20, iat= 258, 243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 VAL  HN           26 LEU  HA          5.50    (#   1353:20  Unique         2.93, 3.26 A)
 &rst
  ixpk= 1353, nxpk= 20, iat= 462, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 GLU  HN           26 LEU  HA          5.50    (#   1354:20  Unique         3.54, 3.80 A)
 &rst
  ixpk= 1354, nxpk= 20, iat= 447, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 LYS  HN           26 LEU  HA          5.50    (#   1355:20  Unique         3.43, 3.50 A)
 &rst
  ixpk= 1355, nxpk= 20, iat= 425, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 VAL  MGX          12 GLN  HA          5.50    (#   1356:20  Unique         3.94, 6.31 A)
 &rst
  ixpk= 1356, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   15 GLN  HN           12 GLN  HA          5.50    (#   1357:20  Unique         2.75, 3.70 A)
 &rst
  ixpk= 1357, nxpk= 20, iat= 241, 188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1358    12 GLN  HA          5.50    (#   1358:20  Single Ambig)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 203, 258,
 &end
#
#   39 ASP  HN           37 VAL  HA          5.50    (#   1359:20  Unique         3.09, 3.25 A)
 &rst
  ixpk= 1359, nxpk= 20, iat= 622, 594, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  HN           76 LYS  HA          5.50    (#   1360:20  Unique         3.72, 4.37 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=1198,1166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ASP  HN           76 LYS  HA          5.50    (#   1361:20  Unique         2.53, 2.99 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=1186,1166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1362    75 LEU  HA          4.50    (#   1362:20  Single Ambig)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1152,1208,1209,
 &end
#
#   78 ILE  HG1-         75 LEU  HA          5.50    (#   1363:20  Unique         2.59, 4.87 A)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,1147, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1208,1209,
 &end
#
#   78 ILE  HN           75 LEU  HA          5.50    (#   1364:20  Unique         3.39, 4.05 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=1198,1147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   76 LYS  HN           75 LEU  HA          5.50    (#   1365:20  Unique         2.18, 3.27 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=1164,1147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 VAL  MGY          19 GLN  HA          4.50    (#   1366:20  Unique         2.25, 4.60 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   21 ALA  HN           19 GLN  HA          4.50    (#   1367:20  Unique         3.37, 4.19 A)
 &rst
  ixpk= 1367, nxpk= 20, iat= 330, 308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1368    46 VAL  HA          5.50    (#   1368:20  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 702, 703, 704, 706, 707, 708,  76,  77,  78,
 &end
#
#   66 TYR  HA           40 LYS  HA          4.50    (#   1369:20  Unique         2.82, 3.61 A)
 &rst
  ixpk= 1369, nxpk= 20, iat=1026, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLN  HN           14 GLN  HA          4.50    (#   1371:20  Unique         2.49, 3.01 A)
 &rst
  ixpk= 1371, nxpk= 20, iat= 241, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1372    14 GLN  HA          5.50    (#   1372:20  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 258, 203,
 &end
#
#    0 AMB  20-2:1374    31 GLU  HA          5.50    (#   1374:20  Single Ambig)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 562, 563, 564, 485, 486,
 &end
#
#    0 AMB  20-2:1375    31 GLU  HA          5.50    (#   1375:20  Single Ambig)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 502, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 482, 483, 519, 520, 522, 523, 543,
 &end
#
#   32 ARG  HN           31 GLU  HA          4.50    (#   1376:20  Unique         3.22, 3.24 A)
 &rst
  ixpk= 1376, nxpk= 20, iat= 515, 502, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 VAL  MGY          40 LYS  HA          4.50    (#   1377:20  Unique         3.18, 5.83 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   41 ASN  HN           40 LYS  HA          5.50    (#   1378:20  Unique         2.55, 3.03 A)
 &rst
  ixpk= 1378, nxpk= 20, iat= 656, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   42 ASP  HN           40 LYS  HA          5.50    (#   1379:20  Unique         3.42, 4.05 A)
 &rst
  ixpk= 1379, nxpk= 20, iat= 670, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 LEU  HB-          49 ASN  HA          5.50    (#   1380:20  Unique         2.00, 4.16 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1149,1150,
 &end
#
#   75 LEU  HB+          49 ASN  HA          5.50    (#   1381:20  Unique         2.00, 4.16 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1, 784, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1149,1150,
 &end
#
#    0 AMB  20-2:1382    32 ARG  HA          5.50    (#   1382:20  Single Ambig)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 386, 387, 388, 379, 380, 381,
 &end
#
#   35 THR  HG1          32 ARG  HA          5.50    (#   1383:20  Unique         2.36, 3.80 A)
 &rst
  ixpk= 1383, nxpk= 20, iat= 578, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1384    32 ARG  HA          5.50    (#   1384:20  Single Ambig)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 504, 505, 504, 505,
 &end
#
#   35 THR  HN           32 ARG  HA          5.50    (#   1385:20  Unique         3.17, 3.69 A)
 &rst
  ixpk= 1385, nxpk= 20, iat= 568, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 ILE  HN           32 ARG  HA          5.50    (#   1386:20  Unique         2.43, 3.23 A)
 &rst
  ixpk= 1386, nxpk= 20, iat= 539, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   72 ALA  MB           47 TYR  HA          5.50    (#   1387:20  Unique         2.36, 4.32 A)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1125,1126,1127,
 &end
#
#   54 SER  HB-          47 TYR  HA          4.50    (#   1388:20  Unique         3.33, 4.36 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#   73 GLY  HN           47 TYR  HA          5.50    (#   1389:20  Unique         1.95, 2.53 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=1131, 752, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1390    64 MET  HA          5.50    (#   1390:20  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,1002, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1011,1012,1013, 989, 990,
 &end
#
#    0 AMB  20-2:1391    16 GLU  HA          5.50    (#   1391:20  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1303,1304,1303,1304,
 &end
#
#    0 AMB  20-2:1392     4 TRP  HA          5.50    (#   1392:20  Single Ambig)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 719, 720, 722, 723, 702, 703, 704, 706, 707, 708,
      
 &end
#
#    0 AMB  20-2:1393     4 TRP  HA          5.50    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:1394     4 TRP  HA          5.50    (#   1394:20  Single Ambig)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  48, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 334, 335, 336,  74,  18,  19,  18,  19,
 &end
#
#    4 TRP  HE3           4 TRP  HA          5.50    (#   1395:20  Unique         2.13, 2.90 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  65,  48, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  MGX           8 ARG  HA          5.50    (#   1397:20  Unique         3.32, 5.68 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    9 VAL  MGX           8 ARG  HA          5.50    (#   1398:20  Unique         4.00, 5.07 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  MGY           8 ARG  HA          5.50    (#   1399:20  Unique         4.00, 5.07 A)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   31 GLU  HN           28 GLU  HA          5.50    (#   1400:20  Unique         3.54, 3.73 A)
 &rst
  ixpk= 1400, nxpk= 20, iat= 500, 449, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 LEU  MDX          57 ALA  HA          5.50    (#   1402:20  Unique         3.88, 5.95 A)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 964, 965, 966, 968, 969, 970,
 &end
#
#   60 ILE  HG1+         57 ALA  HA          5.50    (#   1403:20  Unique         1.98, 2.70 A)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 946, 947,
 &end
#
#    0 AMB  20-2:1404    57 ALA  HA          5.50    (#   1404:20  Single Ambig)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 962, 413,
 &end
#
#    0 AMB  20-2:1405    57 ALA  HA          5.50    (#   1405:20  Single Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 876, 877, 925, 926, 925, 926,
 &end
#
#    0 AMB  20-2:1406    57 ALA  HA          5.50    (#   1406:20  Single Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 921, 872,
 &end
#
#   58 LYS  HN           57 ALA  HA          5.50    (#   1407:20  Unique         3.32, 3.44 A)
 &rst
  ixpk= 1407, nxpk= 20, iat= 899, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1408     2 GLU  HA          5.50    (#   1408:20  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 20, iat=  -1,  16, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 674, 675,  33,  34,
 &end
#
#   78 ILE  HN           77 ASP  HA          5.50    (#   1409:20  Unique         3.44, 3.53 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=1198,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ASP  HN           77 ASP  HA          4.50    (#   1410:20  Unique         2.76, 2.86 A)
 &rst
  ixpk= 1410, nxpk= 20, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 ILE  QD1          34 ALA  HA          5.50    (#   1411:20  Unique         5.22, 6.32 A)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1412    34 ALA  HA          5.50    (#   1412:20  Single Ambig)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 549, 550, 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HB           34 ALA  HA          5.50    (#   1413:20  Unique         3.13, 5.12 A)
 &rst
  ixpk= 1413, nxpk= 20, iat= 596, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    3 HIS  HN            3 HIS  HA          5.50    (#   1415:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 1415, nxpk= 20, iat=  29,  31, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1416    68 HIS  HA          5.50    (#   1416:20  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,1061, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   38 PRO  HD-          36 ALA  HA          5.50    (#   1417:20  Unique         3.42, 4.19 A)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#    0 AMB  20-2:1418    36 ALA  HA          5.50    (#   1418:20  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 353, 354, 355, 346, 347, 348,
 &end
#
#    0 AMB  20-2:1419    36 ALA  HA          5.50    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  83,  84,  85, 386, 387, 388,
 &end
#
#   37 VAL  MGX          36 ALA  HA          5.50    (#   1420:20  Unique         4.17, 6.34 A)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  20-2:1421    70 GLU  HA          4.50    (#   1421:20  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  20-2:1423    70 GLU  HA          4.50    (#   1423:20  Single Ambig)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 912, 913, 912, 913,
 &end
#
#    0 AMB  20-2:1424    39 ASP  HA          5.50    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 644, 645, 641, 642,
 &end
#
#   40 LYS  HB-          39 ASP  HA          5.50    (#   1425:20  Unique         4.44, 5.16 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 638, 639,
 &end
#
#   41 ASN  HN           39 ASP  HA          5.50    (#   1426:20  Unique         3.43, 4.07 A)
 &rst
  ixpk= 1426, nxpk= 20, iat= 656, 624, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   42 ASP  HN           41 ASN  HA          4.50    (#   1427:20  Unique         2.45, 2.99 A)
 &rst
  ixpk= 1427, nxpk= 20, iat= 670, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1428    72 ALA  HA          5.50    (#   1428:20  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 716, 717, 716, 717,
 &end
#
#    0 AMB  20-2:1429    72 ALA  HA          5.50    (#   1429:20  Single Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 722, 723, 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:1430    72 ALA  HA          5.50    (#   1430:20  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,1123, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1099,1100,1099,1100,
 &end
#
#   73 GLY  HN           72 ALA  HA          5.50    (#   1431:20  Unique         3.51, 3.57 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=1131,1123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1434    21 ALA  HA          5.50    (#   1434:20  Single Ambig)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1, 332, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 342, 325, 326,
 &end
#
#    4 TRP  HN           21 ALA  HA          5.50    (#   1435:20  Unique         3.01, 3.57 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=  46, 332, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1436     1 ALA  HA          5.50    (#   1436:20  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  18,  19,  18,  19,
 &end
#
#    6 ASP  HN            6 ASP  HA          5.50    (#   1437:20  Unique         2.84, 2.84 A)
 &rst
  ixpk= 1437, nxpk= 20, iat=  89,  91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 TYR  HN            6 ASP  HA          5.50    (#   1438:20  Unique         1.92, 2.65 A)
 &rst
  ixpk= 1438, nxpk= 20, iat= 750,  91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 ASP  HB-           6 ASP  HA          4.50    (#   1439:20  Unique         2.33, 2.58 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  93,  94,
 &end
#
#    6 ASP  HB+           6 ASP  HA          5.50    (#   1440:20  Unique         2.33, 2.58 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  93,  94,
 &end
#
#    0 AMB  20-2:1441     6 ASP  HA          5.50    (#   1441:20  Single Ambig)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
       112, 113,
 &end
#
#    7 VAL  MGX           6 ASP  HA          5.50    (#   1442:20  Unique         3.40, 5.21 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   73 GLY  HN           71 ASN  HA          5.50    (#   1443:20  Unique         3.66, 4.22 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=1131,1109, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   72 ALA  MB           71 ASN  HA          5.50    (#   1444:20  Unique         4.06, 4.97 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,1109, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1125,1126,1127,
 &end
#
#    9 VAL  MGX           0 AMB  20-1:1445   4.50    (#   1445:20  Single Ambig)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 158, 159, 158, 159,
 &end
#
#   11 GLU  HN            0 AMB  20-1:1446   4.50    (#   1446:20  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 158, 159, 158, 159,
 &end
#
#   78 ILE  QG2          79 ALA  HA          5.50    (#   1449:20  Unique         3.55, 4.92 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1204,1205,1206,
 &end
#
#    0 AMB  20-2:1450    79 ALA  HA          5.50    (#   1450:20  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,1219, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1268,1269,1234,1235,1202,
 &end
#
#   78 ILE  HA           79 ALA  HA          5.50    (#   1451:20  Unique         4.35, 4.40 A)
 &rst
  ixpk= 1451, nxpk= 20, iat=1200,1219, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 MET  HB-          81 PRO  HD+         5.50    (#   1452:20  Unique         1.96, 3.42 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1231,1232,
 igr2=1245,1246,
 &end
#
#   81 PRO  HB+          81 PRO  HD+         5.50    (#   1453:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1251,1252,
 igr2=1245,1246,
 &end
#
#   81 PRO  HA           81 PRO  HD+         5.50    (#   1454:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1454, nxpk= 20, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1245,1246,
 &end
#
#   18 VAL  MGX          81 PRO  HD-         5.50    (#   1455:20  Unique         3.94, 7.20 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1245,1246,
 &end
#
#   80 MET  HB-          81 PRO  HD-         4.50    (#   1456:20  Unique         1.96, 3.42 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1231,1232,
 igr2=1245,1246,
 &end
#
#   81 PRO  HB+          81 PRO  HD-         5.50    (#   1457:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1251,1252,
 igr2=1245,1246,
 &end
#
#   81 PRO  HA           81 PRO  HD-         5.50    (#   1458:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1458, nxpk= 20, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:1459     0 AMB  20-1:1459   4.50    (#   1459:20  Double Ambig)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 451, 452, 454, 455,
 igr2= 393, 394, 393, 394,
 &end
#
#   25 PRO  HB-          25 PRO  HD-         5.50    (#   1460:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 399, 400,
 igr2= 393, 394,
 &end
#
#    0 AMB  20-2:1461    25 PRO  HD-         4.50    (#   1461:20  Single Ambig)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 454, 455, 399, 400,
 igr2= 393, 394,
 &end
#
#   23 ASN  HD2+         25 PRO  HD-         5.50    (#   1462:20  Unique         1.95, 3.58 A)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 393, 394,
 &end
#
#   37 VAL  MGY          38 PRO  HD-         5.50    (#   1463:20  Unique         3.63, 5.25 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 609, 610,
 &end
#
#   38 PRO  HA           38 PRO  HD-         5.50    (#   1464:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1464, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   36 ALA  HA           38 PRO  HD-         5.50    (#   1465:20  Unique         3.42, 4.19 A)
 &rst
  ixpk= 1465, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   39 ASP  HN           38 PRO  HD-         5.50    (#   1466:20  Unique         2.68, 3.34 A)
 &rst
  ixpk= 1466, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   37 VAL  HN           38 PRO  HD-         5.50    (#   1467:20  Unique         2.94, 3.64 A)
 &rst
  ixpk= 1467, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   37 VAL  MGX          38 PRO  HD+         5.50    (#   1468:20  Unique         3.63, 5.25 A)
 &rst
  ixpk= 1468, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 609, 610,
 &end
#
#   37 VAL  MGY          38 PRO  HD+         5.50    (#   1469:20  Unique         3.63, 5.25 A)
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 609, 610,
 &end
#
#    0 AMB  20-2:1470     0 AMB  20-1:1470   4.50    (#   1470:20  Double Ambig)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 615, 616, 626, 627,
 igr2= 609, 610, 609, 610,
 &end
#
#   36 ALA  HA           38 PRO  HD+         5.50    (#   1471:20  Unique         3.42, 4.19 A)
 &rst
  ixpk= 1471, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   38 PRO  HA           38 PRO  HD+         5.50    (#   1472:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1472, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   37 VAL  HN           38 PRO  HD+         5.50    (#   1473:20  Unique         2.94, 3.64 A)
 &rst
  ixpk= 1473, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   58 LYS  HB+          55 GLY  HA+         5.50    (#   1474:20  Unique         1.99, 3.75 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 903, 904,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:1475     0 AMB  20-1:1475   5.50    (#   1475:20  Double Ambig)
 &rst
  ixpk= 1475, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1111,1112, 879, 880,
 igr2= 867, 868, 867, 868,
 &end
#
#   71 ASN  HB-          55 GLY  HA-         4.50    (#   1476:20  Unique         2.80, 5.94 A)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:1477    55 GLY  HA-         5.50    (#   1477:20  Single Ambig)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 903, 904, 909, 910,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:1478     0 AMB  20-1:1478   5.50    (#   1478:20  Double Ambig)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 903, 904, 909, 910,
 igr2= 867, 868, 867, 868,
 &end
#
#   52 ARG  HA           55 GLY  HA+         5.50    (#   1479:20  Unique         3.71, 5.06 A)
 &rst
  ixpk= 1479, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 867, 868,
 &end
#
#   52 ARG  HA           55 GLY  HA-         5.50    (#   1480:20  Unique         3.71, 5.06 A)
 &rst
  ixpk= 1480, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 867, 868,
 &end
#
#   71 ASN  HD2-         55 GLY  HA+         5.50    (#   1481:20  Unique         2.91, 5.36 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1116,1117,
 igr2= 867, 868,
 &end
#
#   71 ASN  HD2-         55 GLY  HA-         5.50    (#   1482:20  Unique         2.91, 5.36 A)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1116,1117,
 igr2= 867, 868,
 &end
#
#   58 LYS  HN           55 GLY  HA-         5.50    (#   1483:20  Unique         2.98, 3.85 A)
 &rst
  ixpk= 1483, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 867, 868,
 &end
#
#   58 LYS  HN           55 GLY  HA+         5.50    (#   1484:20  Unique         2.98, 3.85 A)
 &rst
  ixpk= 1484, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 867, 868,
 &end
#
#   71 ASN  HD2+         55 GLY  HA+         5.50    (#   1485:20  Unique         2.91, 5.36 A)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1116,1117,
 igr2= 867, 868,
 &end
#
#   71 ASN  HD2+         55 GLY  HA-         5.50    (#   1486:20  Unique         2.91, 5.36 A)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1116,1117,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:1487     0 AMB  20-1:1487   5.50    (#   1487:20  Double Ambig)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1133,1134,1140,1141,
 igr2= 808, 809, 808, 809,
 &end
#
#    0 AMB  20-2:1490     0 AMB  20-1:1490   5.50    (#   1490:20  Double Ambig)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 813, 854,
 igr2= 808, 809, 808, 809,
 &end
#
#    0 AMB  20-2:1492     0 AMB  20-1:1492   5.50    (#   1492:20  Double Ambig)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 854,1186,
 igr2= 808, 809,1133,1134,1133,1134,
 &end
#
#   21 ALA  HN           20 GLY  HA+         5.50    (#   1494:20  Unique         2.41, 3.09 A)
 &rst
  ixpk= 1494, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 325, 326,
 &end
#
#   21 ALA  HN           20 GLY  HA+         5.50    (#   1495:20  Unique         2.41, 3.09 A)
 &rst
  ixpk= 1495, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 325, 326,
 &end
#
#   21 ALA  HN           20 GLY  HA-         5.50    (#   1498:20  Unique         2.41, 3.09 A)
 &rst
  ixpk= 1498, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 325, 326,
 &end
#
#   21 ALA  HN           20 GLY  HA-         5.50    (#   1499:20  Unique         2.41, 3.09 A)
 &rst
  ixpk= 1499, nxpk= 20, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 325, 326,
 &end
#
#    0 AMB  20-2:1500     0 AMB  20-1:1500   5.50    (#   1500:20  Double Ambig)
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 647, 648, 647, 648,
 igr2=1019,1020,1019,1020,
 &end
#
#   66 TYR  HN           65 GLY  HA+         5.50    (#   1501:20  Unique         2.64, 3.20 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1019,1020,
 &end
#
#    0 AMB  20-2:1502    65 GLY  HA-         4.50    (#   1502:20  Single Ambig)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 644, 645,1051,1052,1053,
 igr2=1019,1020,
 &end
#
#   66 TYR  HN           65 GLY  HA-         4.50    (#   1503:20  Unique         2.64, 3.20 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1019,1020,
 &end
#
#   66 TYR  HN           65 GLY  HA-         4.50    (#   1504:20  Unique         2.64, 3.20 A)
 &rst
  ixpk= 1504, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1019,1020,
 &end
#
#    0 AMB  20-2:1505     0 AMB  20-1:1505   5.50    (#   1505:20  Double Ambig)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1125,1126,1127,1149,1150,
 igr2=1140,1141,1140,1141,
 &end
#
#   48 CYS  HN           74 GLY  HA+         5.50    (#   1507:20  Unique         1.97, 3.79 A)
 &rst
  ixpk= 1507, nxpk= 20, iat= 771,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:1508    74 GLY  HA-         5.50    (#   1508:20  Single Ambig)
 &rst
  ixpk= 1508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1125,1126,1127,1149,1150,1202,
 igr2=1140,1141,
 &end
#
#   48 CYS  HN           74 GLY  HA-         5.50    (#   1509:20  Unique         1.97, 3.79 A)
 &rst
  ixpk= 1509, nxpk= 20, iat= 771,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1140,1141,
 &end
#
#   76 LYS  HN           74 GLY  HA-         5.50    (#   1510:20  Unique         3.10, 4.52 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1140,1141,
 &end
#
#    0 AMB  20-2:1511     0 AMB  20-1:1511   5.50    (#   1511:20  Double Ambig)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 124, 125, 124, 125,
 igr2= 127, 128, 127, 128,
 &end
#
#    9 VAL  HN            8 ARG  HD+         5.50    (#   1512:20  Unique         4.41, 5.30 A)
 &rst
  ixpk= 1512, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#   15 GLN  HN            8 ARG  HD+         5.50    (#   1513:20  Unique         4.01, 5.38 A)
 &rst
  ixpk= 1513, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:1514     8 ARG  HD-         4.50    (#   1514:20  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 190, 191, 121, 122,
 igr2= 127, 128,
 &end
#
#   49 ASN  HN            8 ARG  HD-         5.50    (#   1516:20  Unique         2.01, 4.79 A)
 &rst
  ixpk= 1516, nxpk= 20, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#    8 ARG  HE            8 ARG  HD-         5.50    (#   1517:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 1517, nxpk= 20, iat= 130,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#   15 GLN  HN            8 ARG  HD-         5.50    (#   1518:20  Unique         4.01, 5.38 A)
 &rst
  ixpk= 1518, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:1519     0 AMB  20-1:1519   5.50    (#   1519:20  Double Ambig)
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 504, 505, 504, 505,
 igr2= 525, 526, 525, 526,
 &end
#
#    0 AMB  20-2:1520    32 ARG  HD-         5.50    (#   1520:20  Single Ambig)
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 504, 505, 504, 505,
 igr2= 525, 526,
 &end
#
#   32 ARG  HA           32 ARG  HD+         5.50    (#   1523:20  Unique         2.44, 3.93 A)
 &rst
  ixpk= 1523, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 525, 526,
 &end
#
#   32 ARG  HA           32 ARG  HD-         5.50    (#   1524:20  Unique         2.44, 3.93 A)
 &rst
  ixpk= 1524, nxpk= 20, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 525, 526,
 &end
#
#    0 AMB  20-2:1527     0 AMB  20-1:1527   5.50    (#   1527:20  Double Ambig)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 124, 125, 124, 125,
 igr2=  93,  94,  93,  94,
 &end
#
#    0 AMB  20-2:1528     0 AMB  20-1:1528   5.50    (#   1528:20  Double Ambig)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  91, 775, 776,
 igr2=  93,  94,  93,  94,
 &end
#
#   23 ASN  HD2-          6 ASP  HB+         5.50    (#   1529:20  Unique         4.40, 6.72 A)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:1531     0 AMB  20-1:1531   4.50    (#   1531:20  Double Ambig)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 286, 373, 368, 369,
 igr2=  93,  94,  93,  94,  93,  94,
 &end
#
#   23 ASN  HD2-          6 ASP  HB-         5.50    (#   1532:20  Unique         4.40, 6.72 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:1534     6 ASP  HB-         4.50    (#   1534:20  Single Ambig)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 101, 286,
 igr2=  93,  94,
 &end
#
#   72 ALA  MB           47 TYR  HB+         4.50    (#   1536:20  Unique         2.00, 4.20 A)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1125,1126,1127,
 igr2= 754, 755,
 &end
#
#   78 ILE  HN           47 TYR  HB+         5.50    (#   1537:20  Unique         4.74, 6.02 A)
 &rst
  ixpk= 1537, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 754, 755,
 &end
#
#   78 ILE  HN           47 TYR  HB-         5.50    (#   1538:20  Unique         4.74, 6.02 A)
 &rst
  ixpk= 1538, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 754, 755,
 &end
#
#   48 CYS  HN           47 TYR  HB-         4.50    (#   1539:20  Unique         2.46, 3.63 A)
 &rst
  ixpk= 1539, nxpk= 20, iat= 771,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 754, 755,
 &end
#
#   18 VAL  MGY          82 LYS  HE+         5.50    (#   1541:20  Unique         2.36, 6.51 A)
 &rst
  ixpk= 1541, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1271,1272,
 &end
#
#   78 ILE  QG2          82 LYS  HE+         5.50    (#   1542:20  Unique         2.00, 4.77 A)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1204,1205,1206,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:1543     0 AMB  20-1:1543   5.50    (#   1543:20  Double Ambig)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 igr2=1271,1272,1271,1272,
 &end
#
#    0 AMB  20-2:1545     0 AMB  20-1:1545   5.50    (#   1545:20  Double Ambig)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1227,  61,
 igr2=1271,1272,1271,1272,
 &end
#
#   18 VAL  MGY          82 LYS  HE-         4.50    (#   1546:20  Unique         2.36, 6.51 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1271,1272,
 &end
#
#   78 ILE  QG2          82 LYS  HE-         5.50    (#   1547:20  Unique         2.00, 4.77 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1204,1205,1206,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:1548    82 LYS  HE-         5.50    (#   1548:20  Single Ambig)
 &rst
  ixpk= 1548, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1227,  61,
 igr2=1271,1272,
 &end
#
#    0 AMB  20-2:1549     0 AMB  20-1:1549   4.50    (#   1549:20  Double Ambig)
 &rst
  ixpk= 1549, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 844, 845, 105,
 igr2= 410, 411, 410, 411,
 &end
#
#    7 VAL  MGX          26 LEU  HB-         5.50    (#   1550:20  Unique         1.98, 5.34 A)
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:1551    26 LEU  HB-         4.50    (#   1551:20  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1= 466, 396, 397, 817, 818, 817, 818,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:1552    26 LEU  HB-         5.50    (#   1552:20  Single Ambig)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 876, 877, 399, 400,
 igr2= 410, 411,
 &end
#
#   27 LYS  HN           26 LEU  HB-         5.50    (#   1553:20  Unique         2.68, 3.46 A)
 &rst
  ixpk= 1553, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:1554    75 LEU  HB-         5.50    (#   1554:20  Single Ambig)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1168,1169,1168,1169,
 igr2=1149,1150,
 &end
#
#   76 LYS  HN           75 LEU  HB-         5.50    (#   1555:20  Unique         1.95, 3.27 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1149,1150,
 &end
#
#   45 LYS  HD+          45 LYS  HE-         5.50    (#   1556:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1556, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 722, 723,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:1559     0 AMB  20-1:1559   4.50    (#   1559:20  Double Ambig)
 &rst
  ixpk= 1559, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 644, 645, 644, 645,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  20-2:1560     0 AMB  20-1:1560   5.50    (#   1560:20  Double Ambig)
 &rst
  ixpk= 1560, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1019,1020,1019,1020,
 igr2= 647, 648, 647, 648,
 &end
#
#   66 TYR  HE            0 AMB  20-1:1561   5.50    (#   1561:20  Single Ambig)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1034,1039,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  20-2:1562     0 AMB  20-1:1562   5.50    (#   1562:20  Double Ambig)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 912, 913, 912, 913,
 &end
#
#   70 GLU  HA           58 LYS  HE+         5.50    (#   1563:20  Unique         3.79, 5.40 A)
 &rst
  ixpk= 1563, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:1564     0 AMB  20-1:1564   5.50    (#   1564:20  Double Ambig)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1= 415, 416, 417, 419, 420, 421,1082,1083,1084,1086,
      1087,1088,
 igr2= 438, 439, 438, 439, 912, 913,
 &end
#
#   58 LYS  HG+          58 LYS  HE-         4.50    (#   1565:20  Unique         2.00, 3.01 A)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 906, 907,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:1566     0 AMB  20-1:1566   3.50    (#   1566:20  Double Ambig)
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1=1174,1175,1174,1175,1174,1175, 909, 910,
 igr2=1177,1178,1177,1178,1177,1178, 912, 913,
 &end
#
#   70 GLU  HA           58 LYS  HE-         5.50    (#   1567:20  Unique         3.79, 5.40 A)
 &rst
  ixpk= 1567, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 912, 913,
 &end
#
#   44 VAL  MGY          42 ASP  HB+         5.50    (#   1568:20  Unique         3.22, 6.09 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 674, 675,
 &end
#
#   44 VAL  MGY          42 ASP  HB-         5.50    (#   1569:20  Unique         3.22, 6.09 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 674, 675,
 &end
#
#   42 ASP  HA           42 ASP  HB+         4.50    (#   1572:20  Unique         2.35, 2.77 A)
 &rst
  ixpk= 1572, nxpk= 20, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 674, 675,
 &end
#
#    3 HIS  HD2          42 ASP  HB+         5.50    (#   1573:20  Unique         3.57, 5.06 A)
 &rst
  ixpk= 1573, nxpk= 20, iat=  42,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 674, 675,
 &end
#
#    0 AMB  20-2:1574    39 ASP  HB-         5.50    (#   1574:20  Single Ambig)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 612, 613, 612, 613,
 igr2= 626, 627,
 &end
#
#   40 LYS  HN           39 ASP  HB-         5.50    (#   1575:20  Unique         2.23, 3.74 A)
 &rst
  ixpk= 1575, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 626, 627,
 &end
#
#    0 AMB  20-2:1576     0 AMB  20-1:1576   3.50    (#   1576:20  Double Ambig)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 959, 960, 959, 960,
 &end
#
#   66 TYR  HB-          61 LEU  HB+         5.50    (#   1577:20  Unique         1.99, 4.53 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#   58 LYS  HA           61 LEU  HB+         4.50    (#   1578:20  Unique         2.11, 3.23 A)
 &rst
  ixpk= 1578, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 959, 960,
 &end
#
#   62 SER  HN           61 LEU  HB+         4.50    (#   1579:20  Unique         2.28, 3.03 A)
 &rst
  ixpk= 1579, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 959, 960,
 &end
#
#   60 ILE  HG1+         61 LEU  HB-         5.50    (#   1580:20  Unique         3.69, 4.81 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 946, 947,
 igr2= 959, 960,
 &end
#
#   57 ALA  MB           61 LEU  HB-         5.50    (#   1581:20  Unique         3.99, 6.03 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 893, 894, 895,
 igr2= 959, 960,
 &end
#
#   66 TYR  HB+          61 LEU  HB-         5.50    (#   1582:20  Unique         1.99, 4.53 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1028,1029,
 igr2= 959, 960,
 &end
#
#   58 LYS  HA           61 LEU  HB-         5.50    (#   1583:20  Unique         2.11, 3.23 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 959, 960,
 &end
#
#   62 SER  HN           61 LEU  HB-         5.50    (#   1584:20  Unique         2.28, 3.03 A)
 &rst
  ixpk= 1584, nxpk= 20, iat= 974,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 959, 960,
 &end
#
#    0 AMB  20-2:1585     0 AMB  20-1:1585   5.50    (#   1585:20  Double Ambig)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 124, 125, 124, 125,
 igr2= 775, 776, 775, 776,
 &end
#
#    0 AMB  20-2:1586     0 AMB  20-1:1586   4.50    (#   1586:20  Double Ambig)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 190, 191, 399, 400,
 igr2= 775, 776, 775, 776,
 &end
#
#    8 ARG  HD-          48 CYS  HB+         5.50    (#   1587:20  Unique         1.99, 5.16 A)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 127, 128,
 igr2= 775, 776,
 &end
#
#    8 ARG  HD-          48 CYS  HB-         5.50    (#   1588:20  Unique         1.99, 5.16 A)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 127, 128,
 igr2= 775, 776,
 &end
#
#   41 ASN  HD2-         41 ASN  HB+         5.50    (#   1589:20  Unique         2.12, 3.22 A)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 665, 666,
 igr2= 660, 661,
 &end
#
#   41 ASN  HD2-         41 ASN  HB-         5.50    (#   1590:20  Unique         2.12, 3.22 A)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 665, 666,
 igr2= 660, 661,
 &end
#
#   42 ASP  HN           41 ASN  HB+         5.50    (#   1591:20  Unique         2.77, 4.01 A)
 &rst
  ixpk= 1591, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 660, 661,
 &end
#
#   42 ASP  HN           41 ASN  HB-         5.50    (#   1592:20  Unique         2.77, 4.01 A)
 &rst
  ixpk= 1592, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 660, 661,
 &end
#
#   18 VAL  MGY          78 ILE  HB          5.50    (#   1593:20  Unique         3.87, 6.71 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:1594    78 ILE  HB          5.50    (#   1594:20  Single Ambig)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   82 LYS  HE-          78 ILE  HB          5.50    (#   1595:20  Unique         2.12, 3.74 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   75 LEU  HA           78 ILE  HB          5.50    (#   1596:20  Unique         3.15, 4.44 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=1147,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  HA           78 ILE  HB          4.50    (#   1597:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=1200,1202, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 ILE  HA            5 ILE  HB          5.50    (#   1599:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=  72,  74, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 LEU  HB-          49 ASN  HB-         5.50    (#   1600:20  Unique         4.25, 6.37 A)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1149,1150,
 igr2= 786, 787,
 &end
#
#   75 LEU  HB-          49 ASN  HB+         5.50    (#   1601:20  Unique         4.25, 6.37 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1149,1150,
 igr2= 786, 787,
 &end
#
#   49 ASN  HN           49 ASN  HB-         4.50    (#   1602:20  Unique         2.10, 2.64 A)
 &rst
  ixpk= 1602, nxpk= 20, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 786, 787,
 &end
#
#    0 AMB  20-2:1603    24 ILE  HB          4.50    (#   1603:20  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 346, 347, 348, 468, 469, 470, 472, 473, 474,
 &end
#
#   24 ILE  HA           24 ILE  HB          5.50    (#   1604:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1604, nxpk= 20, iat= 375, 377, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 ASN  HA           23 ASN  HB+         4.50    (#   1605:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 1605, nxpk= 20, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2-         23 ASN  HB+         5.50    (#   1606:20  Unique         2.23, 3.45 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2+         23 ASN  HB+         5.50    (#   1607:20  Unique         2.23, 3.45 A)
 &rst
  ixpk= 1607, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#   13 TYR  HB+          23 ASN  HB-         5.50    (#   1608:20  Unique         3.59, 5.30 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2-         23 ASN  HB-         5.50    (#   1609:20  Unique         2.23, 3.45 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#   23 ASN  HD2+         23 ASN  HB-         5.50    (#   1610:20  Unique         2.23, 3.45 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 368, 369,
 igr2= 363, 364,
 &end
#
#   29 VAL  MGX          33 ILE  HB          3.50    (#   1611:20  Unique         1.99, 3.96 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  HA           33 ILE  HB          5.50    (#   1612:20  Unique         3.63, 4.06 A)
 &rst
  ixpk= 1612, nxpk= 20, iat= 464, 543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1613     0 AMB  20-1:1613   5.50    (#   1613:20  Double Ambig)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.00, r4=11.75,
 igr1= 228, 229, 228, 229, 399, 400, 190, 191,
 igr2= 207, 208, 207, 208, 207, 208, 207, 208,
 &end
#
#    0 AMB  20-2:1614    13 TYR  HB-         5.50    (#   1614:20  Single Ambig)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 121, 122, 396, 397,
 igr2= 207, 208,
 &end
#
#    6 ASP  HB-          13 TYR  HB+         5.50    (#   1615:20  Unique         3.42, 5.81 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  93,  94,
 igr2= 207, 208,
 &end
#
#    6 ASP  HB-          13 TYR  HB-         5.50    (#   1616:20  Unique         3.42, 5.81 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  93,  94,
 igr2= 207, 208,
 &end
#
#   13 TYR  HA           13 TYR  HB+         4.50    (#   1617:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 1617, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   10 PRO  HA           13 TYR  HB-         4.50    (#   1618:20  Unique         2.50, 3.07 A)
 &rst
  ixpk= 1618, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#   12 GLN  HN           13 TYR  HB-         4.50    (#   1623:20  Unique         3.98, 4.50 A)
 &rst
  ixpk= 1623, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:1624     0 AMB  20-1:1624   4.50    (#   1624:20  Double Ambig)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 368, 369, 203,
 igr2= 207, 208, 207, 208,
 &end
#
#   14 GLN  HN           13 TYR  HB-         5.50    (#   1625:20  Unique         2.43, 3.30 A)
 &rst
  ixpk= 1625, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 207, 208,
 &end
#
#   58 LYS  HD-          71 ASN  HB+         5.50    (#   1626:20  Unique         2.00, 3.82 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 909, 910,
 igr2=1111,1112,
 &end
#
#   55 GLY  HA-          71 ASN  HB+         5.50    (#   1627:20  Unique         2.80, 5.94 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 867, 868,
 igr2=1111,1112,
 &end
#
#   71 ASN  HD2-         71 ASN  HB+         5.50    (#   1628:20  Unique         2.16, 3.49 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1116,1117,
 igr2=1111,1112,
 &end
#
#   58 LYS  HD-          71 ASN  HB-         4.50    (#   1629:20  Unique         2.00, 3.82 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 909, 910,
 igr2=1111,1112,
 &end
#
#   55 GLY  HA-          71 ASN  HB-         4.50    (#   1630:20  Unique         2.80, 5.94 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 867, 868,
 igr2=1111,1112,
 &end
#
#   71 ASN  HD2-         71 ASN  HB-         5.50    (#   1631:20  Unique         2.16, 3.49 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1116,1117,
 igr2=1111,1112,
 &end
#
#   71 ASN  HD2+         71 ASN  HB-         5.50    (#   1632:20  Unique         2.16, 3.49 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1116,1117,
 igr2=1111,1112,
 &end
#
#   71 ASN  HN           71 ASN  HB-         4.50    (#   1633:20  Unique         2.17, 2.61 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1111,1112,
 &end
#
#   17 HIS  HN           16 GLU  HG+         4.50    (#   1634:20  Unique         2.57, 4.21 A)
 &rst
  ixpk= 1634, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#   17 HIS  HN           16 GLU  HG-         4.50    (#   1635:20  Unique         2.57, 4.21 A)
 &rst
  ixpk= 1635, nxpk= 20, iat= 273,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#   75 LEU  HG           16 GLU  HG+         5.50    (#   1636:20  Unique         2.11, 4.14 A)
 &rst
  ixpk= 1636, nxpk= 20, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 265, 266,
 &end
#
#   75 LEU  HG           16 GLU  HG-         4.50    (#   1637:20  Unique         2.11, 4.14 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#    0 AMB  20-2:1638     0 AMB  20-1:1638   5.50    (#   1638:20  Double Ambig)
 &rst
  ixpk= 1638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.51, r4=12.26,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160, 719, 720,
 igr2= 265, 266, 265, 266,  21,  22,
 &end
#
#    0 AMB  20-2:1639    16 GLU  HG-         5.50    (#   1639:20  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 igr2= 265, 266,
 &end
#
#    9 VAL  MGX           0 AMB  20-1:1640   5.50    (#   1640:20  Single Ambig)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 178, 179, 178, 179,
 &end
#
#    9 VAL  MGX           0 AMB  20-1:1641   5.50    (#   1641:20  Single Ambig)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 178, 179, 178, 179,
 &end
#
#    0 AMB  20-2:1642     0 AMB  20-1:1642   4.50    (#   1642:20  Double Ambig)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 171,1121,
 igr2= 178, 179, 178, 179,1111,1112,
 &end
#
#   11 GLU  HN            0 AMB  20-1:1643   4.50    (#   1643:20  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 178, 179, 178, 179,
 &end
#
#   31 GLU  HN            0 AMB  20-1:1644   4.50    (#   1644:20  Single Ambig)
 &rst
  ixpk= 1644, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 507, 508, 507, 508,
 &end
#
#   31 GLU  HN            0 AMB  20-1:1645   4.50    (#   1645:20  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 507, 508, 507, 508,
 &end
#
#    4 TRP  HE1           0 AMB  20-1:1646   5.50    (#   1646:20  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  21,  22,  21,  22,
 &end
#
#    4 TRP  HE1           0 AMB  20-1:1647   5.50    (#   1647:20  Single Ambig)
 &rst
  ixpk= 1647, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  21,  22,  21,  22,
 &end
#
#    2 GLU  HA            0 AMB  20-1:1648   5.50    (#   1648:20  Single Ambig)
 &rst
  ixpk= 1648, nxpk= 20, iat=  16,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  21,  22,  21,  22,
 &end
#
#    2 GLU  HA            0 AMB  20-1:1649   4.50    (#   1649:20  Single Ambig)
 &rst
  ixpk= 1649, nxpk= 20, iat=  16,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  21,  22,  21,  22,
 &end
#
#   43 THR  HB            0 AMB  20-1:1650   4.50    (#   1650:20  Single Ambig)
 &rst
  ixpk= 1650, nxpk= 20, iat= 686,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  21,  22,  21,  22,
 &end
#
#   43 THR  HB            0 AMB  20-1:1651   5.50    (#   1651:20  Single Ambig)
 &rst
  ixpk= 1651, nxpk= 20, iat= 686,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  21,  22,  21,  22,
 &end
#
#   43 THR  MG2           0 AMB  20-1:1652   5.50    (#   1652:20  Single Ambig)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 688, 689, 690,
 igr2=  21,  22,  21,  22,
 &end
#
#   43 THR  MG2           0 AMB  20-1:1653   5.50    (#   1653:20  Single Ambig)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 688, 689, 690,
 igr2=  21,  22,  21,  22,
 &end
#
#   24 ILE  QG2          28 GLU  HG-         5.50    (#   1654:20  Unique         4.11, 6.95 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 379, 380, 381,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:1655    28 GLU  HG-         4.50    (#   1655:20  Single Ambig)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 432, 433, 432, 433,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:1656    28 GLU  HG-         3.50    (#   1656:20  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 451, 452, 429, 430,
 igr2= 454, 455,
 &end
#
#   32 ARG  HD-          28 GLU  HG-         5.50    (#   1657:20  Unique         3.24, 5.73 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 525, 526,
 igr2= 454, 455,
 &end
#
#   24 ILE  QG2          28 GLU  HG+         5.50    (#   1658:20  Unique         4.11, 6.95 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 379, 380, 381,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:1659     0 AMB  20-1:1659   5.50    (#   1659:20  Double Ambig)
 &rst
  ixpk= 1659, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 432, 433, 432, 433,
 igr2= 454, 455, 454, 455,
 &end
#
#    0 AMB  20-2:1660     0 AMB  20-1:1660   5.50    (#   1660:20  Double Ambig)
 &rst
  ixpk= 1660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 525, 526, 525, 526,
 igr2= 454, 455, 454, 455,
 &end
#
#   25 PRO  HD+          28 GLU  HG+         5.50    (#   1661:20  Unique         2.06, 4.37 A)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 393, 394,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:1662     0 AMB  20-1:1662   5.50    (#   1662:20  Double Ambig)
 &rst
  ixpk= 1662, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 igr2=1028,1029,1028,1029,
 &end
#
#   61 LEU  HB+          66 TYR  HB+         4.50    (#   1663:20  Unique         1.99, 4.53 A)
 &rst
  ixpk= 1663, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 959, 960,
 igr2=1028,1029,
 &end
#
#   67 THR  HN           66 TYR  HB+         5.50    (#   1665:20  Unique         1.99, 3.58 A)
 &rst
  ixpk= 1665, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1028,1029,
 &end
#
#   63 GLU  HN           63 GLU  HG-         4.50    (#   1666:20  Unique         3.08, 4.22 A)
 &rst
  ixpk= 1666, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 992, 993,
 &end
#
#   63 GLU  HN           63 GLU  HG+         4.50    (#   1667:20  Unique         3.08, 4.22 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 992, 993,
 &end
#
#   60 ILE  HA            0 AMB  20-1:1668   5.50    (#   1668:20  Single Ambig)
 &rst
  ixpk= 1668, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 928, 929, 992, 993,
 &end
#
#   60 ILE  HA            0 AMB  20-1:1669   5.50    (#   1669:20  Single Ambig)
 &rst
  ixpk= 1669, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 928, 929, 992, 993,
 &end
#
#    0 AMB  20-2:1670    66 TYR  HB-         5.50    (#   1670:20  Single Ambig)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 igr2=1028,1029,
 &end
#
#   61 LEU  HB+          66 TYR  HB-         4.50    (#   1671:20  Unique         1.99, 4.53 A)
 &rst
  ixpk= 1671, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 959, 960,
 igr2=1028,1029,
 &end
#
#    0 AMB  20-2:1672    66 TYR  HB-         5.50    (#   1672:20  Single Ambig)
 &rst
  ixpk= 1672, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 957,1047, 978, 979,
 igr2=1028,1029,
 &end
#
#   68 HIS  HD2          66 TYR  HB-         4.50    (#   1673:20  Unique         3.79, 5.24 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=1072,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1028,1029,
 &end
#
#   82 LYS  HN           82 LYS  HB+         4.50    (#   1675:20  Unique         2.46, 3.52 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1262,1263,
 &end
#
#   83 VAL  HN           82 LYS  HB+         4.50    (#   1676:20  Unique         1.95, 2.61 A)
 &rst
  ixpk= 1676, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1262,1263,
 &end
#
#   83 VAL  HN           82 LYS  HB-         5.50    (#   1677:20  Unique         1.95, 2.61 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1262,1263,
 &end
#
#   71 ASN  HN            0 AMB  20-1:1678   4.50    (#   1678:20  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:1679     0 AMB  20-1:1679   5.50    (#   1679:20  Double Ambig)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1227,  61,
 igr2=1231,1232,1231,1232,
 &end
#
#   81 PRO  HD+          80 MET  HB+         5.50    (#   1680:20  Unique         1.96, 3.42 A)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2=1231,1232,
 &end
#
#   78 ILE  QG2          80 MET  HB+         5.50    (#   1681:20  Unique         2.03, 3.86 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1204,1205,1206,
 igr2=1231,1232,
 &end
#
#   78 ILE  QG2          80 MET  HB-         4.50    (#   1682:20  Unique         2.03, 3.86 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1204,1205,1206,
 igr2=1231,1232,
 &end
#
#    0 AMB  20-2:1683    80 MET  HB-         4.50    (#   1683:20  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1234,1235,1268,1269,
 igr2=1231,1232,
 &end
#
#    0 AMB  20-2:1684     0 AMB  20-1:1684   3.50    (#   1684:20  Double Ambig)
 &rst
  ixpk= 1684, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1234,1235,1268,1269,
 igr2=1231,1232,1231,1232,
 &end
#
#   80 MET  HG+          80 MET  HB-         4.50    (#   1685:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1234,1235,
 igr2=1231,1232,
 &end
#
#   81 PRO  HD-          80 MET  HB-         5.50    (#   1686:20  Unique         1.96, 3.42 A)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2=1231,1232,
 &end
#
#   80 MET  HA           80 MET  HB-         5.50    (#   1687:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1231,1232,
 &end
#
#    0 AMB  20-2:1688    80 MET  HB-         5.50    (#   1688:20  Single Ambig)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1227,  61,
 igr2=1231,1232,
 &end
#
#   26 LEU  MDX          53 GLN  HG+         5.50    (#   1689:20  Unique         2.24, 5.42 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 844, 845,
 &end
#
#   53 GLN  HE2+         53 GLN  HG+         5.50    (#   1690:20  Unique         2.14, 3.41 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 849, 850,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:1691    53 GLN  HG-         4.50    (#   1691:20  Single Ambig)
 &rst
  ixpk= 1691, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 399, 400, 876, 877,
 igr2= 844, 845,
 &end
#
#   53 GLN  HE2+         53 GLN  HG-         4.50    (#   1692:20  Unique         2.14, 3.41 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 849, 850,
 igr2= 844, 845,
 &end
#
#   53 GLN  HE2-         53 GLN  HG-         5.50    (#   1693:20  Unique         2.14, 3.41 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 849, 850,
 igr2= 844, 845,
 &end
#
#   53 GLN  HN           53 GLN  HG-         4.50    (#   1694:20  Unique         2.68, 3.79 A)
 &rst
  ixpk= 1694, nxpk= 20, iat= 837,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 844, 845,
 &end
#
#   61 LEU  HA           64 MET  HB+         5.50    (#   1695:20  Unique         2.24, 3.68 A)
 &rst
  ixpk= 1695, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1004,1005,
 &end
#
#   61 LEU  HA           64 MET  HB-         4.50    (#   1696:20  Unique         2.24, 3.68 A)
 &rst
  ixpk= 1696, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1004,1005,
 &end
#
#   64 MET  HN           64 MET  HB+         4.50    (#   1697:20  Unique         2.07, 2.83 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1004,1005,
 &end
#
#   66 TYR  HD           64 MET  HB+         5.50    (#   1698:20  Unique         2.00, 4.90 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1032,1041,
 igr2=1004,1005,
 &end
#
#   13 TYR  HN           12 GLN  HG-         4.50    (#   1699:20  Unique         4.38, 4.90 A)
 &rst
  ixpk= 1699, nxpk= 20, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 193, 194,
 &end
#
#   85 GLY  HN           84 LYS  HB-         5.50    (#   1700:20  Unique         3.08, 4.03 A)
 &rst
  ixpk= 1700, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1300,1301,
 &end
#
#   12 GLN  HN           12 GLN  HG+         4.50    (#   1701:20  Unique         2.48, 3.44 A)
 &rst
  ixpk= 1701, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 193, 194,
 &end
#
#   12 GLN  HE2+         12 GLN  HG+         4.50    (#   1702:20  Unique         2.12, 3.29 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 198, 199,
 igr2= 193, 194,
 &end
#
#   12 GLN  HE2-         12 GLN  HG+         5.50    (#   1703:20  Unique         2.12, 3.29 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 198, 199,
 igr2= 193, 194,
 &end
#
#   26 LEU  MDY           0 AMB  20-1:1704   4.50    (#   1704:20  Single Ambig)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 879, 880, 879, 880,
 &end
#
#   85 GLY  HN           84 LYS  HB+         4.50    (#   1705:20  Unique         3.08, 4.03 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1300,1301,
 &end
#
#   56 GLN  HE2-          0 AMB  20-1:1706   5.50    (#   1706:20  Single Ambig)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 884, 885,
 igr2= 879, 880, 879, 880,
 &end
#
#   57 ALA  HN            0 AMB  20-1:1707   5.50    (#   1707:20  Single Ambig)
 &rst
  ixpk= 1707, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 879, 880, 879, 880,
 &end
#
#    0 AMB  20-2:1708    44 VAL  HB          5.50    (#   1708:20  Single Ambig)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
 igr1= 964, 965, 966, 968, 969, 970, 552, 553, 554, 719,
       720,
 &end
#
#   44 VAL  HA           44 VAL  HB          4.50    (#   1709:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 698, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1710    46 VAL  HB          4.50    (#   1710:20  Single Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 893, 894, 895,1125,1126,1127,
 &end
#
#   54 SER  HB-          46 VAL  HB          5.50    (#   1711:20  Unique         2.03, 3.57 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 858, 859,
 &end
#
#   15 GLN  HN           15 GLN  HG-         4.50    (#   1712:20  Unique         2.41, 3.57 A)
 &rst
  ixpk= 1712, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 248, 249,
 &end
#
#   16 GLU  HN           15 GLN  HG-         5.50    (#   1713:20  Unique         2.33, 4.87 A)
 &rst
  ixpk= 1713, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 248, 249,
 &end
#
#   15 GLN  HA           15 GLN  HG+         4.50    (#   1714:20  Unique         2.03, 3.07 A)
 &rst
  ixpk= 1714, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 248, 249,
 &end
#
#   15 GLN  HE2+         15 GLN  HG+         5.50    (#   1715:20  Unique         2.12, 3.25 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 253, 254,
 igr2= 248, 249,
 &end
#
#   11 GLU  HA            0 AMB  20-1:1716   4.50    (#   1716:20  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 20, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:1717     0 AMB  20-1:1717   5.50    (#   1717:20  Double Ambig)
 &rst
  ixpk= 1717, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 236, 237, 211, 220,
 igr2= 231, 232, 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:1718     0 AMB  20-1:1718   5.50    (#   1718:20  Double Ambig)
 &rst
  ixpk= 1718, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 236, 237, 236, 237,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:1719    70 GLU  HB-         4.50    (#   1719:20  Single Ambig)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 719, 720, 722, 723,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:1720     0 AMB  20-1:1720   4.50    (#   1720:20  Double Ambig)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 719, 720, 722, 723,
 igr2=1096,1097,1096,1097,
 &end
#
#   45 LYS  HA           70 GLU  HB-         5.50    (#   1721:20  Unique         2.45, 4.01 A)
 &rst
  ixpk= 1721, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1096,1097,
 &end
#
#   45 LYS  HA           70 GLU  HB+         5.50    (#   1722:20  Unique         2.45, 4.01 A)
 &rst
  ixpk= 1722, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1096,1097,
 &end
#
#   45 LYS  HD+          70 GLU  HB-         5.50    (#   1723:20  Unique         2.31, 5.83 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 722, 723,
 igr2=1096,1097,
 &end
#
#   83 VAL  MGX          19 GLN  HG+         5.50    (#   1724:20  Unique         2.00, 4.40 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 313, 314,
 &end
#
#   83 VAL  MGX          19 GLN  HG-         4.50    (#   1725:20  Unique         2.00, 4.40 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 313, 314,
 &end
#
#   19 GLN  HB-          19 GLN  HG-         3.50    (#   1726:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   19 GLN  HB+          19 GLN  HG-         4.50    (#   1727:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   19 GLN  HA           19 GLN  HG-         4.50    (#   1728:20  Unique         2.06, 2.88 A)
 &rst
  ixpk= 1728, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 313, 314,
 &end
#
#   19 GLN  HE2+         19 GLN  HG+         5.50    (#   1729:20  Unique         2.12, 3.25 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 318, 319,
 igr2= 313, 314,
 &end
#
#   19 GLN  HE2+         19 GLN  HG-         5.50    (#   1730:20  Unique         2.12, 3.25 A)
 &rst
  ixpk= 1730, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 318, 319,
 igr2= 313, 314,
 &end
#
#   19 GLN  HN           19 GLN  HG+         5.50    (#   1731:20  Unique         2.09, 4.17 A)
 &rst
  ixpk= 1731, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#   19 GLN  HN           19 GLN  HG-         5.50    (#   1732:20  Unique         2.09, 4.17 A)
 &rst
  ixpk= 1732, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#   20 GLY  HN           19 GLN  HG+         5.50    (#   1733:20  Unique         2.28, 3.63 A)
 &rst
  ixpk= 1733, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#   20 GLY  HN           19 GLN  HG-         5.50    (#   1734:20  Unique         2.28, 3.63 A)
 &rst
  ixpk= 1734, nxpk= 20, iat= 323,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#    0 AMB  20-2:1735     0 AMB  20-1:1735   5.50    (#   1735:20  Double Ambig)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 719, 720, 964, 965, 966, 968, 969, 970,
 igr2=1096,1097,1080,
 &end
#
#   37 VAL  MGX           3 HIS  HB+         5.50    (#   1736:20  Unique         4.63, 7.73 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2=  33,  34,
 &end
#
#   37 VAL  MGX           3 HIS  HB-         5.50    (#   1737:20  Unique         4.63, 7.73 A)
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2=  33,  34,
 &end
#
#    5 ILE  QD1           3 HIS  HB+         5.50    (#   1738:20  Unique         2.00, 3.94 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  83,  84,  85,
 igr2=  33,  34,
 &end
#
#    5 ILE  QD1           3 HIS  HB-         5.50    (#   1739:20  Unique         2.00, 3.94 A)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  83,  84,  85,
 igr2=  33,  34,
 &end
#
#   22 ILE  QD1           3 HIS  HB+         5.50    (#   1740:20  Unique         2.74, 6.79 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 353, 354, 355,
 igr2=  33,  34,
 &end
#
#   22 ILE  QD1           3 HIS  HB-         5.50    (#   1741:20  Unique         2.74, 6.79 A)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 353, 354, 355,
 igr2=  33,  34,
 &end
#
#    3 HIS  HA            3 HIS  HB+         4.50    (#   1743:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=  31,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  33,  34,
 &end
#
#    3 HIS  HA            3 HIS  HB-         5.50    (#   1744:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=  31,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  33,  34,
 &end
#
#    3 HIS  HN            3 HIS  HB+         5.50    (#   1745:20  Unique         2.61, 3.27 A)
 &rst
  ixpk= 1745, nxpk= 20, iat=  29,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  33,  34,
 &end
#
#    3 HIS  HN            3 HIS  HB-         5.50    (#   1746:20  Unique         2.61, 3.27 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=  29,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  33,  34,
 &end
#
#    4 TRP  HN            3 HIS  HB+         5.50    (#   1747:20  Unique         2.62, 3.41 A)
 &rst
  ixpk= 1747, nxpk= 20, iat=  46,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  33,  34,
 &end
#
#   18 VAL  HA           18 VAL  HB          4.50    (#   1748:20  Unique         2.54, 3.00 A)
 &rst
  ixpk= 1748, nxpk= 20, iat= 292, 294, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 PRO  HD+          25 PRO  HB-         5.50    (#   1749:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
#    0 AMB  20-2:1750     0 AMB  20-1:1750   4.50    (#   1750:20  Double Ambig)
 &rst
  ixpk= 1750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  50,  51, 393, 394,
 igr2= 294, 399, 400,
 &end
#
#    0 AMB  20-2:1751     0 AMB  20-1:1751   5.50    (#   1751:20  Double Ambig)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 275, 361,
 igr2= 294, 399, 400,
 &end
#
#    0 AMB  20-2:1753     0 AMB  20-1:1753   5.50    (#   1753:20  Double Ambig)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 447, 283,
 igr2= 399, 400, 294,
 &end
#
#   27 LYS  HN           25 PRO  HB-         5.50    (#   1754:20  Unique         2.21, 3.29 A)
 &rst
  ixpk= 1754, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#    0 AMB  20-2:1755     0 AMB  20-1:1755   5.50    (#   1755:20  Double Ambig)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=1234,1235,1234,1235,
 &end
#
#   80 MET  HA           80 MET  HG+         4.50    (#   1756:20  Unique         2.09, 2.92 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1234,1235,
 &end
#
#   80 MET  HN           80 MET  HG+         5.50    (#   1757:20  Unique         2.34, 3.53 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#   78 ILE  QG2          80 MET  HG-         4.50    (#   1758:20  Unique         2.01, 4.68 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1204,1205,1206,
 igr2=1234,1235,
 &end
#
#   80 MET  HA           80 MET  HG-         5.50    (#   1759:20  Unique         2.09, 2.92 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#   80 MET  HN           80 MET  HG-         5.50    (#   1760:20  Unique         2.34, 3.53 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#    9 VAL  MGY          25 PRO  HB+         5.50    (#   1761:20  Unique         3.64, 5.80 A)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 399, 400,
 &end
#
#   25 PRO  HD-          25 PRO  HB+         5.50    (#   1762:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
#   25 PRO  HD+          25 PRO  HB+         5.50    (#   1763:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
#    9 VAL  HA           25 PRO  HB+         5.50    (#   1764:20  Unique         2.07, 2.75 A)
 &rst
  ixpk= 1764, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#   26 LEU  HN           25 PRO  HB+         5.50    (#   1765:20  Unique         2.42, 3.22 A)
 &rst
  ixpk= 1765, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#   27 LYS  HN           25 PRO  HB+         5.50    (#   1766:20  Unique         2.21, 3.29 A)
 &rst
  ixpk= 1766, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#   28 GLU  HN           25 PRO  HB+         5.50    (#   1767:20  Unique         3.18, 4.14 A)
 &rst
  ixpk= 1767, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 399, 400,
 &end
#
#    0 AMB  20-2:1768    32 ARG  HB-         4.50    (#   1768:20  Single Ambig)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 525, 526, 525, 526,
 igr2= 519, 520,
 &end
#
#   29 VAL  HA           32 ARG  HB+         5.50    (#   1769:20  Unique         2.00, 3.03 A)
 &rst
  ixpk= 1769, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 519, 520,
 &end
#
#   29 VAL  HA           32 ARG  HB-         5.50    (#   1770:20  Unique         2.00, 3.03 A)
 &rst
  ixpk= 1770, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 519, 520,
 &end
#
#    0 AMB  20-2:1771     0 AMB  20-1:1771   4.50    (#   1771:20  Double Ambig)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 353, 354, 355, 346, 347, 348,
 igr2=  33,  34,  33,  34,
 &end
#
#   61 LEU  HA           64 MET  HG+         5.50    (#   1772:20  Unique         3.16, 4.71 A)
 &rst
  ixpk= 1772, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1007,1008,
 &end
#
#   61 LEU  HA           64 MET  HG-         5.50    (#   1773:20  Unique         3.16, 4.71 A)
 &rst
  ixpk= 1773, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1007,1008,
 &end
#
#   64 MET  HN           64 MET  HG-         5.50    (#   1774:20  Unique         2.19, 3.65 A)
 &rst
  ixpk= 1774, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1007,1008,
 &end
#
#   11 GLU  HN           10 PRO  HB+         5.50    (#   1775:20  Unique         3.78, 4.11 A)
 &rst
  ixpk= 1775, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 164, 165,
 &end
#
#    0 AMB  20-2:1776     0 AMB  20-1:1776   5.50    (#   1776:20  Double Ambig)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.42, r4=12.17,
 igr1= 688, 689, 690, 147, 148, 149, 151, 152, 153, 692,
      
 igr2=  18,  19,  18,  19, 429, 430,  18,  19,
 &end
#
#    4 TRP  HA            0 AMB  20-1:1777   4.50    (#   1777:20  Single Ambig)
 &rst
  ixpk= 1777, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 716, 717, 716, 717,
 &end
#
#   46 VAL  HN            0 AMB  20-1:1778   5.50    (#   1778:20  Single Ambig)
 &rst
  ixpk= 1778, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 716, 717, 716, 717,
 &end
#
#    0 AMB  20-2:1779     0 AMB  20-1:1779   5.50    (#   1779:20  Double Ambig)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  70,1121,
 igr2= 716, 717, 716, 717, 716, 717,
 &end
#
#   38 PRO  HD+          38 PRO  HB+         5.50    (#   1780:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 609, 610,
 igr2= 615, 616,
 &end
#
#    0 AMB  20-2:1781     0 AMB  20-1:1781   5.50    (#   1781:20  Double Ambig)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 560, 594,
 igr2= 615, 616, 615, 616,
 &end
#
#    8 ARG  HD-           8 ARG  HB+         5.50    (#   1782:20  Unique         2.12, 3.24 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 127, 128,
 igr2= 121, 122,
 &end
#
#    8 ARG  HD+           8 ARG  HB+         5.50    (#   1783:20  Unique         2.12, 3.24 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 127, 128,
 igr2= 121, 122,
 &end
#
#    8 ARG  HN            8 ARG  HB+         5.50    (#   1784:20  Unique         2.17, 2.89 A)
 &rst
  ixpk= 1784, nxpk= 20, iat= 117,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 121, 122,
 &end
#
#    8 ARG  HE            8 ARG  HB+         5.50    (#   1785:20  Unique         1.96, 2.90 A)
 &rst
  ixpk= 1785, nxpk= 20, iat= 130,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 121, 122,
 &end
#
#    8 ARG  HA            8 ARG  HB-         5.50    (#   1786:20  Unique         2.34, 2.54 A)
 &rst
  ixpk= 1786, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 121, 122,
 &end
#
#    8 ARG  HN            8 ARG  HB-         4.50    (#   1787:20  Unique         2.17, 2.89 A)
 &rst
  ixpk= 1787, nxpk= 20, iat= 117,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 121, 122,
 &end
#
#    9 VAL  HN            8 ARG  HB-         5.50    (#   1788:20  Unique         2.45, 3.46 A)
 &rst
  ixpk= 1788, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 121, 122,
 &end
#
#   66 TYR  HE           37 VAL  HB          4.50    (#   1789:20  Unique         2.73, 4.57 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1, 596, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1034,1039,
 &end
#
#   39 ASP  HN            0 AMB  20-1:1790   5.50    (#   1790:20  Single Ambig)
 &rst
  ixpk= 1790, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 615, 616, 596,
 &end
#
#   26 LEU  MDY          27 LYS  HB+         5.50    (#   1791:20  Unique         3.67, 7.03 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 429, 430,
 &end
#
#   67 THR  HN           40 LYS  HB+         5.50    (#   1792:20  Unique         2.71, 4.24 A)
 &rst
  ixpk= 1792, nxpk= 20, iat=1045,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 638, 639,
 &end
#
#   29 VAL  MGY          30 LYS  HB-         4.50    (#   1793:20  Unique         3.37, 6.06 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 468, 469, 470, 472, 473, 474,
 igr2= 482, 483,
 &end
#
#   31 GLU  HN           30 LYS  HB-         5.50    (#   1794:20  Unique         2.47, 3.30 A)
 &rst
  ixpk= 1794, nxpk= 20, iat= 500,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 482, 483,
 &end
#
#   82 LYS  HN           81 PRO  HB-         5.50    (#   1795:20  Unique         2.07, 3.26 A)
 &rst
  ixpk= 1795, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1251,1252,
 &end
#
#   40 LYS  HG-          40 LYS  HB-         4.50    (#   1796:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 641, 642,
 igr2= 638, 639,
 &end
#
#   40 LYS  HA           40 LYS  HB-         4.50    (#   1797:20  Unique         2.35, 2.54 A)
 &rst
  ixpk= 1797, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 638, 639,
 &end
#
#   66 TYR  HA           40 LYS  HB-         5.50    (#   1798:20  Unique         2.00, 3.07 A)
 &rst
  ixpk= 1798, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:1799    17 HIS  HB-         5.50    (#   1799:20  Single Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.21, r4= 9.96,
 igr1= 334, 335, 336, 265, 266, 262, 263, 124, 125, 124,
       125,
 igr2= 277, 278,
 &end
#
#    0 AMB  20-2:1800     0 AMB  20-1:1800   5.50    (#   1800:20  Double Ambig)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.04, r4=12.79,
 igr1= 334, 335, 336, 265, 266, 262, 263, 124, 125, 124,
       125,
 igr2= 277, 278, 277, 278, 277, 278, 277, 278, 277, 278,
      
 &end
#
#   13 TYR  HA           17 HIS  HB-         5.50    (#   1801:20  Unique         2.95, 4.37 A)
 &rst
  ixpk= 1801, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#   13 TYR  HA           17 HIS  HB+         5.50    (#   1802:20  Unique         2.95, 4.37 A)
 &rst
  ixpk= 1802, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#   17 HIS  HD2          17 HIS  HB-         5.50    (#   1803:20  Unique         2.69, 3.16 A)
 &rst
  ixpk= 1803, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#   17 HIS  HD2          17 HIS  HB+         5.50    (#   1804:20  Unique         2.69, 3.16 A)
 &rst
  ixpk= 1804, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#   18 VAL  HN           17 HIS  HB+         5.50    (#   1805:20  Unique         2.02, 3.32 A)
 &rst
  ixpk= 1805, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 277, 278,
 &end
#
#   82 LYS  HN           81 PRO  HB+         4.50    (#   1806:20  Unique         2.07, 3.26 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1251,1252,
 &end
#
#   81 PRO  HD-          81 PRO  HB+         5.50    (#   1807:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1245,1246,
 igr2=1251,1252,
 &end
#
#    0 AMB  20-2:1808     0 AMB  20-1:1808   5.50    (#   1808:20  Double Ambig)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.42, r4=12.17,
 igr1= 491, 492, 491, 492,1177,1178,1177,1178, 438, 439,
      
 igr2= 482, 483, 482, 483,1168,1169, 429, 430,
 &end
#
#   16 GLU  HA           16 GLU  HB-         4.50    (#   1809:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1809, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 262, 263,
 &end
#
#   81 PRO  HD+          81 PRO  HB+         4.50    (#   1810:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1245,1246,
 igr2=1251,1252,
 &end
#
#   81 PRO  HD-          81 PRO  HB-         4.50    (#   1812:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1245,1246,
 igr2=1251,1252,
 &end
#
#   59 GLU  HN           58 LYS  HB-         5.50    (#   1813:20  Unique         2.45, 3.37 A)
 &rst
  ixpk= 1813, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 903, 904,
 &end
#
#   59 GLU  HN           58 LYS  HB+         4.50    (#   1814:20  Unique         2.45, 3.37 A)
 &rst
  ixpk= 1814, nxpk= 20, iat= 921,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 903, 904,
 &end
#
#    0 AMB  20-2:1815     0 AMB  20-1:1815   5.50    (#   1815:20  Double Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1116,1117, 258,
 igr2= 903, 904, 262, 263,
 &end
#
#   24 ILE  QG2          29 VAL  HB          5.50    (#   1816:20  Unique         2.56, 3.84 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1, 466, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 379, 380, 381,
 &end
#
#   26 LEU  HA           29 VAL  HB          4.50    (#   1817:20  Unique         1.94, 2.21 A)
 &rst
  ixpk= 1817, nxpk= 20, iat= 408, 466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 ILE  QG2          28 GLU  HB+         4.50    (#   1818:20  Unique         2.77, 6.16 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 379, 380, 381,
 igr2= 451, 452,
 &end
#
#   32 ARG  HB-          28 GLU  HB+         5.50    (#   1819:20  Unique         3.72, 5.38 A)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 519, 520,
 igr2= 451, 452,
 &end
#
#   28 GLU  HN           28 GLU  HB+         5.50    (#   1820:20  Unique         2.75, 3.52 A)
 &rst
  ixpk= 1820, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 451, 452,
 &end
#
#   26 LEU  HB+           7 VAL  HB          5.50    (#   1821:20  Unique         2.37, 4.41 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 410, 411,
 &end
#
#    7 VAL  HN            7 VAL  HB          5.50    (#   1822:20  Unique         2.56, 3.16 A)
 &rst
  ixpk= 1822, nxpk= 20, iat= 101, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 ARG  HG-           0 AMB  20-1:1823   4.50    (#   1823:20  Single Ambig)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 522, 523,
 igr2= 504, 505, 504, 505,
 &end
#
#   32 ARG  HG-           0 AMB  20-1:1824   4.50    (#   1824:20  Single Ambig)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 522, 523,
 igr2= 504, 505, 504, 505,
 &end
#
#   32 ARG  HN            0 AMB  20-1:1826   4.50    (#   1826:20  Single Ambig)
 &rst
  ixpk= 1826, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 504, 505, 504, 505,
 &end
#
#   32 ARG  HN            0 AMB  20-1:1827   4.50    (#   1827:20  Single Ambig)
 &rst
  ixpk= 1827, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 504, 505, 504, 505,
 &end
#
#    0 AMB  20-2:1830    58 LYS  HD-         5.50    (#   1830:20  Single Ambig)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1831     0 AMB  20-1:1831   5.50    (#   1831:20  Double Ambig)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 igr2= 909, 910, 909, 910,
 &end
#
#   58 LYS  HB+          58 LYS  HD-         4.50    (#   1832:20  Unique         2.00, 2.97 A)
 &rst
  ixpk= 1832, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904,
 igr2= 909, 910,
 &end
#
#   71 ASN  HB-          58 LYS  HD-         5.50    (#   1833:20  Unique         2.00, 3.82 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2= 909, 910,
 &end
#
#   58 LYS  HB+          58 LYS  HD+         4.50    (#   1834:20  Unique         2.00, 2.97 A)
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 903, 904,
 igr2= 909, 910,
 &end
#
#   71 ASN  HB-          58 LYS  HD+         4.50    (#   1835:20  Unique         2.00, 3.82 A)
 &rst
  ixpk= 1835, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2= 909, 910,
 &end
#
#   58 LYS  HE-          58 LYS  HD+         4.50    (#   1836:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 912, 913,
 igr2= 909, 910,
 &end
#
#   71 ASN  HN           58 LYS  HD+         5.50    (#   1837:20  Unique         2.90, 4.74 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#   71 ASN  HN           58 LYS  HD-         5.50    (#   1838:20  Unique         2.90, 4.74 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#   70 GLU  HA           58 LYS  HD-         5.50    (#   1839:20  Unique         4.23, 6.09 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1840     0 AMB  20-1:1840   5.50    (#   1840:20  Double Ambig)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1094, 449,
 igr2= 909, 910, 488, 489, 488, 489,
 &end
#
#   18 VAL  MGX           4 TRP  HB+         5.50    (#   1841:20  Unique         2.41, 5.64 A)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:1842     4 TRP  HB-         5.50    (#   1842:20  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 igr2=  50,  51,
 &end
#
#    4 TRP  HA            4 TRP  HB-         4.50    (#   1843:20  Unique         2.52, 2.80 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#   17 HIS  HD2           4 TRP  HB+         5.50    (#   1844:20  Unique         4.70, 5.19 A)
 &rst
  ixpk= 1844, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    4 TRP  HE3           4 TRP  HB-         4.50    (#   1845:20  Unique         2.41, 3.44 A)
 &rst
  ixpk= 1845, nxpk= 20, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:1847     0 AMB  20-1:1847   4.50    (#   1847:20  Double Ambig)
 &rst
  ixpk= 1847, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 844, 845, 844, 845,
 igr2= 817, 818, 817, 818,
 &end
#
#   56 GLN  HA            0 AMB  20-1:1848   5.50    (#   1848:20  Single Ambig)
 &rst
  ixpk= 1848, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 817, 818, 817, 818,
 &end
#
#   52 ARG  HN            0 AMB  20-1:1849   4.50    (#   1849:20  Single Ambig)
 &rst
  ixpk= 1849, nxpk= 20, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 817, 818, 817, 818,
 &end
#
#   25 PRO  HG-           9 VAL  HB          5.50    (#   1850:20  Unique         5.18, 5.99 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 396, 397,
 &end
#
#    0 AMB  20-2:1851     9 VAL  HB          5.50    (#   1851:20  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 161, 162, 161, 162, 190, 191, 399, 400,
 &end
#
#    9 VAL  HN            9 VAL  HB          5.50    (#   1852:20  Unique         3.60, 3.60 A)
 &rst
  ixpk= 1852, nxpk= 20, iat= 141, 145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 GLU  HN            9 VAL  HB          5.50    (#   1853:20  Unique         2.27, 2.28 A)
 &rst
  ixpk= 1853, nxpk= 20, iat= 171, 145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   30 LYS  HN            0 AMB  20-1:1854   5.50    (#   1854:20  Single Ambig)
 &rst
  ixpk= 1854, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1855     0 AMB  20-1:1855   5.50    (#   1855:20  Double Ambig)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.17, r4=11.92,
 igr1= 480, 158, 159, 158, 159, 158, 159,
 igr2= 488, 489, 488, 489, 435, 436, 435, 436, 435, 436,
      
 &end
#
#   26 LEU  MDY           0 AMB  20-1:1857   5.50    (#   1857:20  Single Ambig)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 841, 842, 841, 842,
 &end
#
#   84 LYS  HN            0 AMB  20-1:1859   5.50    (#   1859:20  Single Ambig)
 &rst
  ixpk= 1859, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1306,1307,1306,1307,
 &end
#
#    0 AMB  20-2:1860     0 AMB  20-1:1860   5.50    (#   1860:20  Double Ambig)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 igr2=1268,1269,1268,1269,
 &end
#
#    0 AMB  20-2:1861    82 LYS  HD-         5.50    (#   1861:20  Single Ambig)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 igr2=1268,1269,
 &end
#
#   82 LYS  HE-          82 LYS  HD-         5.50    (#   1862:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#   82 LYS  HE-          82 LYS  HD+         5.50    (#   1865:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#   82 LYS  HE+          82 LYS  HD+         4.50    (#   1866:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#    0 AMB  20-2:1867    68 HIS  HB-         5.50    (#   1867:20  Single Ambig)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 688, 689, 690, 692,
 igr2=1063,1064,
 &end
#
#    0 AMB  20-2:1868     0 AMB  20-1:1868   5.50    (#   1868:20  Double Ambig)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 688, 689, 690, 692,
 igr2=1063,1064,1063,1064,
 &end
#
#   83 VAL  MGX          19 GLN  HB-         4.50    (#   1871:20  Unique         2.00, 4.09 A)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 310, 311,
 &end
#
#   83 VAL  MGY          19 GLN  HB-         5.50    (#   1872:20  Unique         2.00, 4.09 A)
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1286,1287,1288,1290,1291,1292,
 igr2= 310, 311,
 &end
#
#   43 THR  MG2          45 LYS  HD-         5.50    (#   1874:20  Unique         3.34, 5.98 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 688, 689, 690,
 igr2= 722, 723,
 &end
#
#   43 THR  MG2          45 LYS  HD+         5.50    (#   1875:20  Unique         3.34, 5.98 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 688, 689, 690,
 igr2= 722, 723,
 &end
#
#   45 LYS  HA           45 LYS  HD-         5.50    (#   1876:20  Unique         2.72, 4.17 A)
 &rst
  ixpk= 1876, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 722, 723,
 &end
#
#   45 LYS  HA           45 LYS  HD+         5.50    (#   1877:20  Unique         2.72, 4.17 A)
 &rst
  ixpk= 1877, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 722, 723,
 &end
#
#    7 VAL  MGX          56 GLN  HB-         5.50    (#   1879:20  Unique         4.85, 7.71 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 876, 877,
 &end
#
#    9 VAL  HA            0 AMB  20-1:1880   5.50    (#   1880:20  Single Ambig)
 &rst
  ixpk= 1880, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 175, 176, 175, 176,
 &end
#
#   52 ARG  HA           56 GLN  HB-         4.50    (#   1881:20  Unique         3.41, 4.89 A)
 &rst
  ixpk= 1881, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#    0 AMB  20-2:1882    56 GLN  HB-         4.50    (#   1882:20  Single Ambig)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 817, 818, 817, 818,
 igr2= 876, 877,
 &end
#
#    0 AMB  20-2:1883     0 AMB  20-1:1883   2.80    (#   1883:20  Double Ambig)
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 161, 162, 161, 162, 161, 162,
 igr2= 175, 176, 175, 176, 175, 176,
 &end
#
#   57 ALA  HA           60 ILE  HG1+        5.50    (#   1884:20  Unique         1.98, 2.70 A)
 &rst
  ixpk= 1884, nxpk= 20, iat= 891,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 946, 947,
 &end
#
#   12 GLN  HN            0 AMB  20-1:1885   5.50    (#   1885:20  Single Ambig)
 &rst
  ixpk= 1885, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 175, 176, 175, 176,
 &end
#
#   57 ALA  HN           56 GLN  HB+         5.50    (#   1886:20  Unique         2.55, 3.38 A)
 &rst
  ixpk= 1886, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 876, 877,
 &end
#
#   57 ALA  HN           56 GLN  HB-         5.50    (#   1887:20  Unique         2.55, 3.38 A)
 &rst
  ixpk= 1887, nxpk= 20, iat= 889,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 876, 877,
 &end
#
#    8 ARG  HD-          12 GLN  HB-         4.50    (#   1888:20  Unique         1.99, 3.42 A)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 127, 128,
 igr2= 190, 191,
 &end
#
#    0 AMB  20-2:1889     0 AMB  20-1:1889   4.50    (#   1889:20  Double Ambig)
 &rst
  ixpk= 1889, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 119, 167,
 igr2= 190, 191, 228, 229, 228, 229,
 &end
#
#    0 AMB  20-2:1891     0 AMB  20-1:1891   5.50    (#   1891:20  Double Ambig)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 117, 406,
 igr2= 190, 191, 876, 877,
 &end
#
#    9 VAL  HN           12 GLN  HB-         5.50    (#   1892:20  Unique         3.37, 4.25 A)
 &rst
  ixpk= 1892, nxpk= 20, iat= 141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 190, 191,
 &end
#
#    8 ARG  HE            0 AMB  20-1:1893   5.50    (#   1893:20  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 20, iat= 130,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 124, 125, 124, 125,
 &end
#
#    8 ARG  HN            0 AMB  20-1:1894   4.50    (#   1894:20  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 20, iat= 117,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 124, 125, 124, 125,
 &end
#
#   48 CYS  HB-           0 AMB  20-1:1896   4.50    (#   1896:20  Single Ambig)
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 775, 776,
 igr2= 124, 125, 124, 125,
 &end
#
#    8 ARG  HD-           0 AMB  20-1:1897   5.50    (#   1897:20  Single Ambig)
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 127, 128,
 igr2= 124, 125, 124, 125,
 &end
#
#    0 AMB  20-2:1898    61 LEU  HG          4.50    (#   1898:20  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1, 962, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
 igr1= 949, 950, 951,1082,1083,1084,1086,1087,1088, 107,
       108, 109, 111, 112, 113, 740, 741, 742, 744, 745,
       746,
 &end
#
#    9 VAL  HB           25 PRO  HG-         5.50    (#   1900:20  Unique         5.18, 5.99 A)
 &rst
  ixpk= 1900, nxpk= 20, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:1901     0 AMB  20-1:1901   4.50    (#   1901:20  Double Ambig)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 143,1254,
 igr2= 396, 397,1248,1249,1248,1249,
 &end
#
#   80 MET  HA            0 AMB  20-1:1902   5.50    (#   1902:20  Single Ambig)
 &rst
  ixpk= 1902, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1248,1249,1248,1249,
 &end
#
#   10 PRO  HB-          25 PRO  HG+         2.80    (#   1905:20  Unique         2.00, 3.97 A)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 164, 165,
 igr2= 396, 397,
 &end
#
#    0 AMB  20-2:1906    32 ARG  HG-         5.50    (#   1906:20  Single Ambig)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 386, 387, 388, 379, 380, 381,
 igr2= 522, 523,
 &end
#
#   32 ARG  HN           32 ARG  HG-         5.50    (#   1907:20  Unique         3.52, 4.50 A)
 &rst
  ixpk= 1907, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   78 ILE  HN           78 ILE  HG1+        5.50    (#   1908:20  Unique         1.94, 2.81 A)
 &rst
  ixpk= 1908, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1208,1209,
 &end
#
#   11 GLU  HN            0 AMB  20-1:1909   5.50    (#   1909:20  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 20, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 161, 162, 161, 162,
 &end
#
#   52 ARG  HA           52 ARG  HG+         4.50    (#   1910:20  Unique         2.20, 2.92 A)
 &rst
  ixpk= 1910, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 820, 821,
 &end
#
#   52 ARG  HA           52 ARG  HG-         4.50    (#   1911:20  Unique         2.20, 2.92 A)
 &rst
  ixpk= 1911, nxpk= 20, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 820, 821,
 &end
#
#   35 THR  MG2           0 AMB  20-1:1912   5.50    (#   1912:20  Single Ambig)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 574, 575, 576,
 igr2= 612, 613, 612, 613,
 &end
#
#    0 AMB  20-2:1913     0 AMB  20-1:1913   4.50    (#   1913:20  Double Ambig)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 570, 594,
 igr2= 612, 613, 612, 613, 612, 613,
 &end
#
#   39 ASP  HN            0 AMB  20-1:1914   4.50    (#   1914:20  Single Ambig)
 &rst
  ixpk= 1914, nxpk= 20, iat= 622,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 612, 613, 612, 613,
 &end
#
#    0 AMB  20-2:1915     0 AMB  20-1:1915   5.50    (#   1915:20  Double Ambig)
 &rst
  ixpk= 1915, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1= 876, 877, 876, 877, 105,
 igr2= 413, 820, 821,
 &end
#
#    0 AMB  20-2:1916    26 LEU  HG          4.50    (#   1916:20  Single Ambig)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 408, 891,
 &end
#
#    0 AMB  20-2:1917     0 AMB  20-1:1917   5.50    (#   1917:20  Double Ambig)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 406, 813,
 igr2= 413, 820, 821,
 &end
#
#   27 LYS  HN           26 LEU  HG          5.50    (#   1918:20  Unique         2.69, 4.22 A)
 &rst
  ixpk= 1918, nxpk= 20, iat= 425, 413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  QD1          22 ILE  HG1-        4.50    (#   1919:20  Unique         2.00, 4.05 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 386, 387, 388,
 igr2= 350, 351,
 &end
#
#   22 ILE  HA           22 ILE  HG1-        5.50    (#   1920:20  Unique         2.19, 2.79 A)
 &rst
  ixpk= 1920, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#    5 ILE  HA           22 ILE  HG1-        5.50    (#   1921:20  Unique         2.30, 5.52 A)
 &rst
  ixpk= 1921, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#   24 ILE  QD1          22 ILE  HG1+        4.50    (#   1922:20  Unique         2.00, 4.05 A)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 386, 387, 388,
 igr2= 350, 351,
 &end
#
#   22 ILE  HA           22 ILE  HG1+        5.50    (#   1923:20  Unique         2.19, 2.79 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#    5 ILE  HA           22 ILE  HG1+        5.50    (#   1924:20  Unique         2.30, 5.52 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 350, 351,
 &end
#
#   37 VAL  MGX           0 AMB  20-1:1928   5.50    (#   1928:20  Single Ambig)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2=  80,  81,  80,  81,
 &end
#
#    3 HIS  HB-           0 AMB  20-1:1929   5.50    (#   1929:20  Single Ambig)
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  33,  34,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:1930     0 AMB  20-1:1930   5.50    (#   1930:20  Double Ambig)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=  33,  34,  33,  34,
 igr2=  80,  81,  80,  81,
 &end
#
#    4 TRP  HA            0 AMB  20-1:1931   5.50    (#   1931:20  Single Ambig)
 &rst
  ixpk= 1931, nxpk= 20, iat=  48,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:1932     0 AMB  20-1:1932   5.50    (#   1932:20  Double Ambig)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  89, 712,
 igr2=  80,  81,  80,  81,  80,  81,
 &end
#
#   33 ILE  HA           33 ILE  HG1-        5.50    (#   1933:20  Unique         2.53, 3.24 A)
 &rst
  ixpk= 1933, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 549, 550,
 &end
#
#   33 ILE  HA           33 ILE  HG1+        5.50    (#   1934:20  Unique         2.53, 3.24 A)
 &rst
  ixpk= 1934, nxpk= 20, iat= 541,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 549, 550,
 &end
#
#   16 GLU  HB+          75 LEU  HG          5.50    (#   1935:20  Unique         2.97, 4.76 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 262, 263,
 &end
#
#   82 LYS  HE-          75 LEU  HG          5.50    (#   1936:20  Unique         3.17, 5.50 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   75 LEU  HA           75 LEU  HG          5.50    (#   1937:20  Unique         2.19, 2.74 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=1147,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 HIS  HA           75 LEU  HG          5.50    (#   1938:20  Unique         4.18, 5.11 A)
 &rst
  ixpk= 1938, nxpk= 20, iat= 275,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1939    24 ILE  HG1-        5.50    (#   1939:20  Single Ambig)
 &rst
  ixpk= 1939, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 522, 523, 344, 519, 520,
 igr2= 383, 384,
 &end
#
#   24 ILE  HA           24 ILE  HG1-        5.50    (#   1940:20  Unique         2.52, 2.83 A)
 &rst
  ixpk= 1940, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 383, 384,
 &end
#
#   24 ILE  HN           24 ILE  HG1-        5.50    (#   1941:20  Unique         2.53, 3.58 A)
 &rst
  ixpk= 1941, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:1942     0 AMB  20-1:1942   5.50    (#   1942:20  Double Ambig)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 522, 523, 344, 519, 520,
 igr2= 383, 384, 383, 384, 383, 384,
 &end
#
#   24 ILE  HN           24 ILE  HG1+        5.50    (#   1943:20  Unique         2.53, 3.58 A)
 &rst
  ixpk= 1943, nxpk= 20, iat= 373,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 383, 384,
 &end
#
#   53 GLN  HG+          26 LEU  MDX         5.50    (#   1945:20  Unique         2.24, 5.42 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 844, 845,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  20-2:1946    26 LEU  MDX         5.50    (#   1946:20  Single Ambig)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 884, 885, 849, 850,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   53 GLN  HE2-         26 LEU  MDX         5.50    (#   1947:20  Unique         3.65, 7.03 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 849, 850,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   29 VAL  MGY          30 LYS  HG+         5.50    (#   1948:20  Unique         2.60, 6.00 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 468, 469, 470, 472, 473, 474,
 igr2= 485, 486,
 &end
#
#   64 MET  ME           30 LYS  HG+         5.50    (#   1949:20  Unique         2.05, 4.26 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1011,1012,1013,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:1950     0 AMB  20-1:1950   5.50    (#   1950:20  Double Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 491, 492, 491, 492,
 igr2= 485, 486, 485, 486,
 &end
#
#   30 LYS  HA           30 LYS  HG+         5.50    (#   1951:20  Unique         2.04, 2.73 A)
 &rst
  ixpk= 1951, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 485, 486,
 &end
#
#   30 LYS  HN           30 LYS  HG+         5.50    (#   1952:20  Unique         1.96, 3.75 A)
 &rst
  ixpk= 1952, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 485, 486,
 &end
#
#   30 LYS  HA           30 LYS  HG-         5.50    (#   1953:20  Unique         2.04, 2.73 A)
 &rst
  ixpk= 1953, nxpk= 20, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:1954    30 LYS  HG-         4.50    (#   1954:20  Single Ambig)
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 491, 492, 491, 492,
 igr2= 485, 486,
 &end
#
#   64 MET  ME           30 LYS  HG-         5.50    (#   1955:20  Unique         2.05, 4.26 A)
 &rst
  ixpk= 1955, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1011,1012,1013,
 igr2= 485, 486,
 &end
#
#   29 VAL  MGY          30 LYS  HG-         5.50    (#   1956:20  Unique         2.60, 6.00 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 468, 469, 470, 472, 473, 474,
 igr2= 485, 486,
 &end
#
#   30 LYS  HN           30 LYS  HG-         5.50    (#   1957:20  Unique         1.96, 3.75 A)
 &rst
  ixpk= 1957, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 485, 486,
 &end
#
#   40 LYS  HA           40 LYS  HG+         5.50    (#   1958:20  Unique         2.56, 3.48 A)
 &rst
  ixpk= 1958, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 641, 642,
 &end
#
#   66 TYR  HA           40 LYS  HG+         5.50    (#   1959:20  Unique         2.00, 4.68 A)
 &rst
  ixpk= 1959, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 641, 642,
 &end
#
#   66 TYR  HA           40 LYS  HG-         5.50    (#   1960:20  Unique         2.00, 4.68 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 641, 642,
 &end
#
#   40 LYS  HN           40 LYS  HG-         5.50    (#   1961:20  Unique         1.95, 2.69 A)
 &rst
  ixpk= 1961, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 641, 642,
 &end
#
#   45 LYS  HN           45 LYS  HG+         5.50    (#   1962:20  Unique         2.45, 3.28 A)
 &rst
  ixpk= 1962, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 719, 720,
 &end
#
#   45 LYS  HE-          45 LYS  HG-         4.50    (#   1963:20  Unique         2.00, 2.96 A)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 725, 726,
 igr2= 719, 720,
 &end
#
#   45 LYS  HA           45 LYS  HG-         5.50    (#   1964:20  Unique         2.19, 2.85 A)
 &rst
  ixpk= 1964, nxpk= 20, iat= 714,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 719, 720,
 &end
#
#   45 LYS  HN           45 LYS  HG-         5.50    (#   1965:20  Unique         2.45, 3.28 A)
 &rst
  ixpk= 1965, nxpk= 20, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 719, 720,
 &end
#
#    0 AMB  20-2:1966     0 AMB  20-1:1966   5.50    (#   1966:20  Double Ambig)
 &rst
  ixpk= 1966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 igr2=1265,1266,1265,1266,
 &end
#
#   82 LYS  HE+          82 LYS  HG+         4.50    (#   1967:20  Unique         2.04, 2.97 A)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1271,1272,
 igr2=1265,1266,
 &end
#
#   82 LYS  HE-          82 LYS  HG+         5.50    (#   1968:20  Unique         2.04, 2.97 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1265,1266,
 &end
#
#   18 VAL  HA           82 LYS  HG+         5.50    (#   1970:20  Unique         2.00, 3.84 A)
 &rst
  ixpk= 1970, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1265,1266,
 &end
#
#   82 LYS  HN           82 LYS  HG+         5.50    (#   1971:20  Unique         2.24, 3.80 A)
 &rst
  ixpk= 1971, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1265,1266,
 &end
#
#   18 VAL  MGY          82 LYS  HG-         5.50    (#   1972:20  Unique         2.06, 5.37 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1265,1266,
 &end
#
#   82 LYS  HE-          82 LYS  HG-         5.50    (#   1973:20  Unique         2.04, 2.97 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1265,1266,
 &end
#
#   82 LYS  HE+          82 LYS  HG-         5.50    (#   1974:20  Unique         2.04, 2.97 A)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1265,1266,
 &end
#
#   18 VAL  HA           82 LYS  HG-         4.50    (#   1975:20  Unique         2.00, 3.84 A)
 &rst
  ixpk= 1975, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1265,1266,
 &end
#
#   82 LYS  HA           82 LYS  HG-         5.50    (#   1976:20  Unique         2.44, 3.40 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=1260,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1265,1266,
 &end
#
#   61 LEU  HN           61 LEU  MDY         5.50    (#   1977:20  Unique         3.57, 4.61 A)
 &rst
  ixpk= 1977, nxpk= 20, iat= 955,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   58 LYS  HA           61 LEU  MDY         5.50    (#   1978:20  Unique         2.00, 4.39 A)
 &rst
  ixpk= 1978, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   61 LEU  HA           61 LEU  MDX         5.50    (#   1979:20  Unique         2.00, 3.85 A)
 &rst
  ixpk= 1979, nxpk= 20, iat= 957,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 964, 965, 966, 968, 969, 970,
 &end
#
#   85 GLY  HN            0 AMB  20-1:1980   5.50    (#   1980:20  Single Ambig)
 &rst
  ixpk= 1980, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1303,1304,1303,1304,
 &end
#
#   28 GLU  HN            0 AMB  20-1:1981   5.50    (#   1981:20  Single Ambig)
 &rst
  ixpk= 1981, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 432, 433, 432, 433,
 &end
#
#   69 VAL  HB           58 LYS  HG+         4.50    (#   1982:20  Unique         2.24, 3.68 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=1080,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 906, 907,
 &end
#
#   69 VAL  HB           58 LYS  HG-         4.50    (#   1983:20  Unique         2.24, 3.68 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=1080,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 906, 907,
 &end
#
#   58 LYS  HE-          58 LYS  HG+         4.50    (#   1984:20  Unique         2.00, 3.01 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 912, 913,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1985    58 LYS  HG-         4.50    (#   1985:20  Single Ambig)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 912, 913, 912, 913,
 igr2= 906, 907,
 &end
#
#   58 LYS  HA           58 LYS  HG-         4.50    (#   1986:20  Unique         2.06, 2.69 A)
 &rst
  ixpk= 1986, nxpk= 20, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 906, 907,
 &end
#
#    0 AMB  20-2:1987    29 VAL  MGY         4.50    (#   1987:20  Single Ambig)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 539, 447,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:1988     0 AMB  20-1:1988   5.50    (#   1988:20  Double Ambig)
 &rst
  ixpk= 1988, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1271,1272,1271,1272,
 igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   74 GLY  HA-           0 AMB  20-1:1989   5.50    (#   1989:20  Single Ambig)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1140,1141,
 igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   78 ILE  HN            0 AMB  20-1:1991   5.50    (#   1991:20  Single Ambig)
 &rst
  ixpk= 1991, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr2=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   77 ASP  HN            0 AMB  20-1:1993   5.50    (#   1993:20  Single Ambig)
 &rst
  ixpk= 1993, nxpk= 20, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1171,1172,1171,1172,
 &end
#
#   76 LYS  HA            0 AMB  20-1:1994   5.50    (#   1994:20  Single Ambig)
 &rst
  ixpk= 1994, nxpk= 20, iat=1166,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1171,1172,1171,1172,
 &end
#
#    0 AMB  20-2:1995    26 LEU  MDY         5.50    (#   1995:20  Single Ambig)
 &rst
  ixpk= 1995, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 884, 885, 872, 849, 850,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   26 LEU  HN           26 LEU  MDY         5.50    (#   1996:20  Unique         2.25, 5.00 A)
 &rst
  ixpk= 1996, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   27 LYS  HN           26 LEU  MDY         5.50    (#   1997:20  Unique         2.52, 4.99 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 415, 416, 417, 419, 420, 421,
 &end
#
#   61 LEU  HG           46 VAL  MGY         5.50    (#   1998:20  Unique         4.73, 7.07 A)
 &rst
  ixpk= 1998, nxpk= 20, iat= 962,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    5 ILE  HN           46 VAL  MGY         5.50    (#   1999:20  Unique         4.60, 6.91 A)
 &rst
  ixpk= 1999, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   54 SER  HB-          46 VAL  MGY         5.50    (#   2000:20  Unique         2.00, 4.85 A)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 858, 859,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    7 VAL  HB           46 VAL  MGY         5.50    (#   2001:20  Unique         2.19, 5.65 A)
 &rst
  ixpk= 2001, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   21 ALA  MB           18 VAL  MGY         4.50    (#   2002:20  Unique         2.00, 6.45 A)
 &rst
  ixpk= 2002, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 334, 335, 336,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   82 LYS  HE-          18 VAL  MGY         5.50    (#   2003:20  Unique         2.36, 6.51 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1271,1272,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   80 MET  HG+          18 VAL  MGY         5.50    (#   2004:20  Unique         2.04, 6.48 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1234,1235,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   82 LYS  HE+          18 VAL  MGY         5.50    (#   2005:20  Unique         2.36, 6.51 A)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1271,1272,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    4 TRP  HB+          18 VAL  MGY         5.50    (#   2006:20  Unique         2.41, 5.64 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  50,  51,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   17 HIS  HD2          18 VAL  MGY         5.50    (#   2009:20  Unique         2.97, 6.51 A)
 &rst
  ixpk= 2009, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   19 GLN  HN           18 VAL  MGY         5.50    (#   2010:20  Unique         2.13, 4.18 A)
 &rst
  ixpk= 2010, nxpk= 20, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2011    69 VAL  MGY         5.50    (#   2011:20  Single Ambig)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1094, 976,1026,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  20-2:2012    69 VAL  MGY         5.50    (#   2012:20  Single Ambig)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 696, 974,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   68 HIS  HN           69 VAL  MGY         5.50    (#   2013:20  Unique         2.56, 5.21 A)
 &rst
  ixpk= 2013, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   44 VAL  HN           37 VAL  MGY         5.50    (#   2014:20  Unique         5.59, 7.40 A)
 &rst
  ixpk= 2014, nxpk= 20, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  HN           37 VAL  MGY         5.50    (#   2015:20  Unique         2.01, 4.10 A)
 &rst
  ixpk= 2015, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   42 ASP  HN           37 VAL  MGY         5.50    (#   2016:20  Unique         4.52, 6.54 A)
 &rst
  ixpk= 2016, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#    3 HIS  HD2          37 VAL  MGY         5.50    (#   2017:20  Unique         4.32, 6.98 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=  42,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   40 LYS  HA           37 VAL  MGY         5.50    (#   2018:20  Unique         3.18, 5.83 A)
 &rst
  ixpk= 2018, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   37 VAL  MGX          44 VAL  MGX         5.50    (#   2019:20  Unique         2.00, 4.98 A)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 598, 599, 600, 602, 603, 604,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:2020    44 VAL  MGX         5.50    (#   2020:20  Single Ambig)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 674, 675,  33,  34,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:2021    44 VAL  MGX         5.50    (#   2021:20  Single Ambig)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 674, 675,  33,  34,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   69 VAL  HA           44 VAL  MGX         5.50    (#   2022:20  Unique         4.03, 5.38 A)
 &rst
  ixpk= 2022, nxpk= 20, iat=1078,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   46 VAL  HN           44 VAL  MGX         5.50    (#   2023:20  Unique         3.76, 6.49 A)
 &rst
  ixpk= 2023, nxpk= 20, iat= 734,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   68 HIS  HN           67 THR  MG2         5.50    (#   2024:20  Unique         2.16, 4.65 A)
 &rst
  ixpk= 2024, nxpk= 20, iat=1059,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1051,1052,1053,
 &end
#
#   66 TYR  HN           67 THR  MG2         5.50    (#   2025:20  Unique         4.04, 5.96 A)
 &rst
  ixpk= 2025, nxpk= 20, iat=1024,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1051,1052,1053,
 &end
#
#    0 AMB  20-2:2026     0 AMB  20-1:2026   2.80    (#   2026:20  Double Ambig)
 &rst
  ixpk= 2026, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 700,1080,
 igr2=1082,1083,1084,1086,1087,1088, 702, 703, 704, 706,
       707, 708,
 &end
#
#    0 AMB  20-2:2027     0 AMB  20-1:2027   5.50    (#   2027:20  Double Ambig)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1= 594, 957, 978, 979, 978, 979,
 igr2= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   17 HIS  HD2          21 ALA  MB          5.50    (#   2029:20  Unique         2.00, 2.99 A)
 &rst
  ixpk= 2029, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 334, 335, 336,
 &end
#
#   18 VAL  HN           21 ALA  MB          5.50    (#   2030:20  Unique         3.98, 5.40 A)
 &rst
  ixpk= 2030, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 334, 335, 336,
 &end
#
#    6 ASP  HN           21 ALA  MB          5.50    (#   2031:20  Unique         2.59, 4.19 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 334, 335, 336,
 &end
#
#    0 AMB  20-2:2032    43 THR  MG2         4.50    (#   2032:20  Single Ambig)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 719, 720, 722, 723,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:2033    43 THR  MG2         5.50    (#   2033:20  Single Ambig)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 682,  29,
 igr2= 688, 689, 690,
 &end
#
#    2 GLU  HA           43 THR  MG2         5.50    (#   2034:20  Unique         4.61, 5.65 A)
 &rst
  ixpk= 2034, nxpk= 20, iat=  16,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 688, 689, 690,
 &end
#
#   68 HIS  HB+          43 THR  MG2         5.50    (#   2035:20  Unique         4.47, 7.12 A)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1063,1064,
 igr2= 688, 689, 690,
 &end
#
#   68 HIS  HB-          43 THR  MG2         5.50    (#   2036:20  Unique         4.47, 7.12 A)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1063,1064,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  20-2:2037    69 VAL  MGX         3.50    (#   2037:20  Single Ambig)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 959, 960, 906, 907, 906, 907,
 igr2=1082,1083,1084,1086,1087,1088,
 &end
#
#   29 VAL  HN           29 VAL  MGX         5.50    (#   2038:20  Unique         1.94, 3.81 A)
 &rst
  ixpk= 2038, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:2039    29 VAL  MGX         5.50    (#   2039:20  Single Ambig)
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 539, 447,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  20-2:2040    29 VAL  MGX         3.50    (#   2040:20  Single Ambig)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 552, 553, 554, 964, 965, 966, 968, 969, 970,
 igr2= 468, 469, 470, 472, 473, 474,
 &end
#
#   72 ALA  HN           46 VAL  MGX         5.50    (#   2041:20  Unique         1.95, 4.55 A)
 &rst
  ixpk= 2041, nxpk= 20, iat=1121,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2042    46 VAL  MGX         5.50    (#   2042:20  Single Ambig)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1092,1107,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   58 LYS  HN           46 VAL  MGX         5.50    (#   2043:20  Unique         3.59, 6.59 A)
 &rst
  ixpk= 2043, nxpk= 20, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HA           46 VAL  MGX         5.50    (#   2044:20  Unique         2.17, 3.46 A)
 &rst
  ixpk= 2044, nxpk= 20, iat= 736,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   54 SER  HB-          46 VAL  MGX         5.50    (#   2045:20  Unique         2.00, 4.85 A)
 &rst
  ixpk= 2045, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 858, 859,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2046    46 VAL  MGX         5.50    (#   2046:20  Single Ambig)
 &rst
  ixpk= 2046, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1111,1112, 105,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   58 LYS  HB+          46 VAL  MGX         5.50    (#   2047:20  Unique         3.58, 7.08 A)
 &rst
  ixpk= 2047, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 903, 904,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   46 VAL  HB           46 VAL  MGX         4.50    (#   2048:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2048, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#   19 GLN  HA           83 VAL  MGY         5.50    (#   2049:20  Unique         2.25, 4.60 A)
 &rst
  ixpk= 2049, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  20-2:2050    83 VAL  MGY         5.50    (#   2050:20  Single Ambig)
 &rst
  ixpk= 2050, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1280, 283,
 igr2=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  20-2:2051     7 VAL  MGY         5.50    (#   2051:20  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 117, 406,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   47 TYR  HN            7 VAL  MGY         5.50    (#   2052:20  Unique         2.30, 4.95 A)
 &rst
  ixpk= 2052, nxpk= 20, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2054    36 ALA  MB          5.50    (#   2054:20  Single Ambig)
 &rst
  ixpk= 2054, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 594, 570, 375,
 igr2= 586, 587, 588,
 &end
#
#   42 ASP  HB+           1 ALA  MB          5.50    (#   2055:20  Unique         4.13, 6.97 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 674, 675,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:2056    72 ALA  MB          5.50    (#   2056:20  Single Ambig)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1133,1134,1140,1141,
 igr2=1125,1126,1127,
 &end
#
#   71 ASN  HD2-         72 ALA  MB          5.50    (#   2057:20  Unique         4.14, 5.91 A)
 &rst
  ixpk= 2057, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1116,1117,
 igr2=1125,1126,1127,
 &end
#
#   45 LYS  HD+          72 ALA  MB          4.50    (#   2058:20  Unique         2.08, 4.76 A)
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 722, 723,
 igr2=1125,1126,1127,
 &end
#
#   80 MET  HG+          18 VAL  MGX         5.50    (#   2059:20  Unique         2.04, 6.48 A)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1234,1235,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    4 TRP  HB+          18 VAL  MGX         5.50    (#   2060:20  Unique         2.41, 5.64 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  50,  51,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2061    18 VAL  MGX         5.50    (#   2061:20  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 286,  65,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2062    18 VAL  MGX         5.50    (#   2062:20  Single Ambig)
 &rst
  ixpk= 2062, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 330,1280,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   39 ASP  HB+          37 VAL  MGX         5.50    (#   2063:20  Unique         2.89, 6.40 A)
 &rst
  ixpk= 2063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 626, 627,
 igr2= 598, 599, 600, 602, 603, 604,
 &end
#
#   32 ARG  HN           33 ILE  QG2         5.50    (#   2064:20  Unique         3.31, 4.54 A)
 &rst
  ixpk= 2064, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:2065    33 ILE  QG2         5.50    (#   2065:20  Single Ambig)
 &rst
  ixpk= 2065, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1032,1041, 568,
 igr2= 545, 546, 547,
 &end
#
#   34 ALA  HA           33 ILE  QG2         5.50    (#   2066:20  Unique         3.28, 4.32 A)
 &rst
  ixpk= 2066, nxpk= 20, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 545, 546, 547,
 &end
#
#   64 MET  HB+          33 ILE  QG2         5.50    (#   2067:20  Unique         3.09, 4.69 A)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1004,1005,
 igr2= 545, 546, 547,
 &end
#
#   64 MET  HB-          33 ILE  QG2         5.50    (#   2068:20  Unique         3.09, 4.69 A)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1004,1005,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:2069    33 ILE  QG2         5.50    (#   2069:20  Single Ambig)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1= 466, 504, 505, 504, 505,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:2070    24 ILE  QG2         5.50    (#   2070:20  Single Ambig)
 &rst
  ixpk= 2070, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 373, 568,
 igr2= 379, 380, 381,
 &end
#
#   29 VAL  HN           24 ILE  QG2         5.50    (#   2071:20  Unique         3.83, 5.15 A)
 &rst
  ixpk= 2071, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 379, 380, 381,
 &end
#
#   32 ARG  HN           24 ILE  QG2         5.50    (#   2072:20  Unique         4.12, 4.73 A)
 &rst
  ixpk= 2072, nxpk= 20, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 379, 380, 381,
 &end
#
#    0 AMB  20-2:2073    57 ALA  MB          5.50    (#   2073:20  Single Ambig)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 872, 921, 865,
 igr2= 893, 894, 895,
 &end
#
#    7 VAL  HB           57 ALA  MB          4.50    (#   2075:20  Unique         2.19, 4.53 A)
 &rst
  ixpk= 2075, nxpk= 20, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 893, 894, 895,
 &end
#
#    0 AMB  20-2:2076     9 VAL  MGX         5.50    (#   2076:20  Single Ambig)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 438, 439, 438, 439,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:2077     9 VAL  MGX         5.50    (#   2077:20  Single Ambig)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 119, 167,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  20-2:2078     9 VAL  MGX         5.50    (#   2078:20  Single Ambig)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 849, 850, 198, 199,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   12 GLN  HE2+          9 VAL  MGX         5.50    (#   2079:20  Unique         3.39, 6.58 A)
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 198, 199,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   26 LEU  HN            9 VAL  MGX         5.50    (#   2080:20  Unique         4.10, 6.98 A)
 &rst
  ixpk= 2080, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 147, 148, 149, 151, 152, 153,
 &end
#
#   64 MET  ME           34 ALA  MB          4.50    (#   2081:20  Unique         2.08, 5.70 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1011,1012,1013,
 igr2= 562, 563, 564,
 &end
#
#   38 PRO  HA           34 ALA  MB          5.50    (#   2082:20  Unique         3.03, 6.12 A)
 &rst
  ixpk= 2082, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 562, 563, 564,
 &end
#
#    7 VAL  HA            7 VAL  MGX         5.50    (#   2084:20  Unique         2.23, 3.30 A)
 &rst
  ixpk= 2084, nxpk= 20, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:2085     7 VAL  MGX         5.50    (#   2085:20  Single Ambig)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 117, 406,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   47 TYR  HN            7 VAL  MGX         5.50    (#   2086:20  Unique         2.30, 4.95 A)
 &rst
  ixpk= 2086, nxpk= 20, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   82 LYS  HE-          78 ILE  QG2         5.50    (#   2087:20  Unique         2.00, 4.77 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1271,1272,
 igr2=1204,1205,1206,
 &end
#
#   82 LYS  HE+          78 ILE  QG2         5.50    (#   2088:20  Unique         2.00, 4.77 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1271,1272,
 igr2=1204,1205,1206,
 &end
#
#    4 TRP  HZ3          78 ILE  QG2         5.50    (#   2089:20  Unique         2.69, 5.24 A)
 &rst
  ixpk= 2089, nxpk= 20, iat=  63,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1204,1205,1206,
 &end
#
#   79 ALA  HN           78 ILE  QG2         5.50    (#   2090:20  Unique         1.97, 3.33 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=1217,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1204,1205,1206,
 &end
#
#   24 ILE  HA           22 ILE  QG2         5.50    (#   2092:20  Unique         4.66, 6.04 A)
 &rst
  ixpk= 2092, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 346, 347, 348,
 &end
#
#   64 MET  HA           64 MET  ME          5.50    (#   2094:20  Unique         2.64, 5.16 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1011,1012,1013,
 &end
#
#   34 ALA  HN           64 MET  ME          5.50    (#   2095:20  Unique         2.89, 5.16 A)
 &rst
  ixpk= 2095, nxpk= 20, iat= 558,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1011,1012,1013,
 &end
#
#   33 ILE  HN           64 MET  ME          5.50    (#   2096:20  Unique         4.02, 5.31 A)
 &rst
  ixpk= 2096, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1011,1012,1013,
 &end
#
#   64 MET  HN           64 MET  ME          5.50    (#   2097:20  Unique         3.42, 5.61 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1011,1012,1013,
 &end
#
#   78 ILE  HA           79 ALA  MB          5.50    (#   2098:20  Unique         4.12, 4.93 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1221,1222,1223,
 &end
#
#   80 MET  HN           79 ALA  MB          5.50    (#   2099:20  Unique         2.84, 4.05 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1221,1222,1223,
 &end
#
#    7 VAL  HA            5 ILE  QG2         5.50    (#   2100:20  Unique         3.73, 4.92 A)
 &rst
  ixpk= 2100, nxpk= 20, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  76,  77,  78,
 &end
#
#    5 ILE  HN            5 ILE  QG2         5.50    (#   2101:20  Unique         4.40, 4.63 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  70,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  76,  77,  78,
 &end
#
#   81 PRO  HD+          80 MET  ME          5.50    (#   2102:20  Unique         2.01, 5.04 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1245,1246,
 igr2=1238,1239,1240,
 &end
#
#   80 MET  HA           80 MET  ME          5.50    (#   2103:20  Unique         3.68, 5.18 A)
 &rst
  ixpk= 2103, nxpk= 20, iat=1229,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:2104    80 MET  ME          5.50    (#   2104:20  Single Ambig)
 &rst
  ixpk= 2104, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  61,1227,
 igr2=1238,1239,1240,
 &end
#
#   24 ILE  HB           33 ILE  QD1         5.50    (#   2105:20  Unique         4.79, 6.46 A)
 &rst
  ixpk= 2105, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 552, 553, 554,
 &end
#
#   32 ARG  HB-          33 ILE  QD1         5.50    (#   2106:20  Unique         4.97, 6.82 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 519, 520,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:2107    33 ILE  QD1         5.50    (#   2107:20  Single Ambig)
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 592, 539,
 igr2= 552, 553, 554,
 &end
#
#   75 LEU  HB+          78 ILE  QD1         5.50    (#   2108:20  Unique         4.73, 6.59 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1149,1150,
 igr2=1211,1212,1213,
 &end
#
#    4 TRP  HZ3          78 ILE  QD1         4.50    (#   2109:20  Unique         2.00, 4.14 A)
 &rst
  ixpk= 2109, nxpk= 20, iat=  63,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1211,1212,1213,
 &end
#
#   78 ILE  HN           78 ILE  QD1         4.50    (#   2110:20  Unique         1.97, 3.92 A)
 &rst
  ixpk= 2110, nxpk= 20, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1211,1212,1213,
 &end
#
#    0 AMB  20-2:2111    60 ILE  QD1         5.50    (#   2111:20  Single Ambig)
 &rst
  ixpk= 2111, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 879, 880, 879, 880,
 igr2= 949, 950, 951,
 &end
#
#   60 ILE  HA           60 ILE  QD1         5.50    (#   2112:20  Unique         4.60, 5.08 A)
 &rst
  ixpk= 2112, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:2113    60 ILE  QD1         5.50    (#   2113:20  Single Ambig)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 462, 921, 872,
 igr2= 949, 950, 951,
 &end
#
#   60 ILE  HN           60 ILE  QD1         5.50    (#   2114:20  Unique         3.82, 4.33 A)
 &rst
  ixpk= 2114, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  20-2:2115    60 ILE  QD1         5.50    (#   2115:20  Single Ambig)
 &rst
  ixpk= 2115, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 955, 889,
 igr2= 949, 950, 951,
 &end
#
#   30 LYS  HN           60 ILE  QD1         5.50    (#   2116:20  Unique         3.44, 4.74 A)
 &rst
  ixpk= 2116, nxpk= 20, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 949, 950, 951,
 &end
#
#   22 ILE  HN           22 ILE  QD1         5.50    (#   2117:20  Unique         4.30, 5.48 A)
 &rst
  ixpk= 2117, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 353, 354, 355,
 &end
#
#   22 ILE  HA           22 ILE  QD1         5.50    (#   2118:20  Unique         3.40, 4.33 A)
 &rst
  ixpk= 2118, nxpk= 20, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 353, 354, 355,
 &end
#
#   29 VAL  HA           24 ILE  QD1         5.50    (#   2121:20  Unique         4.10, 5.77 A)
 &rst
  ixpk= 2121, nxpk= 20, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 386, 387, 388,
 &end
#
#   24 ILE  HA           24 ILE  QD1         5.50    (#   2122:20  Unique         2.03, 4.57 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 375,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 386, 387, 388,
 &end
#
#    3 HIS  HB-           5 ILE  QD1         5.50    (#   2123:20  Unique         2.00, 3.94 A)
 &rst
  ixpk= 2123, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  33,  34,
 igr2=  83,  84,  85,
 &end
#
#    3 HIS  HB+           5 ILE  QD1         5.50    (#   2124:20  Unique         2.00, 3.94 A)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  33,  34,
 igr2=  83,  84,  85,
 &end
#
#    0 AMB  20-2:2125     5 ILE  QD1         5.50    (#   2125:20  Single Ambig)
 &rst
  ixpk= 2125, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 696,  89,
 igr2=  83,  84,  85,
 &end
#
#   22 ILE  HN            5 ILE  QD1         5.50    (#   2126:20  Unique         5.15, 6.44 A)
 &rst
  ixpk= 2126, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  83,  84,  85,
 &end
#
#   83 VAL  MGX          83 VAL  HA          4.50    (#   2127:20  Unique         2.17, 3.45 A)
 &rst
  ixpk= 2127, nxpk= 20, iat=  -1,1282, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   22 ILE  QG2          22 ILE  HA          4.50    (#   2128:20  Unique         2.40, 3.84 A)
 &rst
  ixpk= 2128, nxpk= 20, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 346, 347, 348,
 &end
#
#   49 ASN  HN           49 ASN  HA          4.50    (#   2130:20  Unique         2.74, 2.83 A)
 &rst
  ixpk= 2130, nxpk= 20, iat= 782, 784, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 SER  HB+          47 TYR  HA          4.50    (#   2131:20  Unique         3.33, 4.36 A)
 &rst
  ixpk= 2131, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#    0 AMB  20-2:2132    53 GLN  HG-         3.50    (#   2132:20  Single Ambig)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 121, 122, 817, 818, 817, 818,
 igr2= 844, 845,
 &end
#
#   82 LYS  HN           82 LYS  HG-         5.50    (#   2133:20  Unique         2.24, 3.80 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=1258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1265,1266,
 &end
#
#   18 VAL  MGY          82 LYS  HG+         5.50    (#   2134:20  Unique         2.06, 5.37 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1265,1266,
 &end
#
#   82 LYS  HA           19 GLN  HN          3.50    (#      0:10  Unique         2.49, 3.29 A)
 &rst
  ixpk= 0, nxpk= 10, iat=1260, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   19 GLN  HA           19 GLN  HN          4.50    (#      1:10  Unique         2.75, 2.82 A)
 &rst
  ixpk= 1, nxpk= 10, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   18 VAL  HA           19 GLN  HN          2.80    (#      2:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 2, nxpk= 10, iat= 292, 306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   19 GLN  HB+          19 GLN  HN          3.50    (#      3:10  Unique         2.08, 2.61 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#    0 AMB  10-2:4       19 GLN  HN          3.50    (#      4:10  Single Ambig)
 &rst
  ixpk= 4, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 310, 311, 294,1262,1263,
 &end
#
#   18 VAL  MGX          19 GLN  HN          3.50    (#      5:10  Unique         2.13, 4.18 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    4 TRP  HZ2           4 TRP  HE1         3.50    (#      6:10  Unique         2.82, 2.82 A)
 &rst
  ixpk= 6, nxpk= 10, iat=  59,  56, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 TRP  HD1           4 TRP  HE1         3.50    (#      7:10  Unique         2.57, 2.57 A)
 &rst
  ixpk= 7, nxpk= 10, iat=  54,  56, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:8        4 TRP  HE1         4.50    (#      8:10  Single Ambig)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  21,  22,  21,  22,
 &end
#
#   80 MET  ME            4 TRP  HE1         4.50    (#      9:10  Unique         2.04, 3.87 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1238,1239,1240,
 &end
#
#   72 ALA  HA           72 ALA  HN          5.50    (#     10:10  Unique         2.76, 2.85 A)
 &rst
  ixpk= 10, nxpk= 10, iat=1123,1121, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 VAL  HN           72 ALA  HN          5.50    (#     11:10  Unique         2.07, 2.97 A)
 &rst
  ixpk= 11, nxpk= 10, iat= 734,1121, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 GLY  HN           72 ALA  HN          4.50    (#     12:10  Unique         2.06, 2.68 A)
 &rst
  ixpk= 12, nxpk= 10, iat=1131,1121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASN  HA           72 ALA  HN          2.80    (#     13:10  Unique         2.14, 2.19 A)
 &rst
  ixpk= 13, nxpk= 10, iat=1109,1121, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 ALA  MB           72 ALA  HN          3.50    (#     14:10  Unique         2.06, 2.98 A)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1,1121, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1125,1126,1127,
 &end
#
#   69 VAL  HA           44 VAL  HN          4.50    (#     15:10  Unique         3.39, 3.50 A)
 &rst
  ixpk= 15, nxpk= 10, iat=1078, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 VAL  HA           44 VAL  HN          4.50    (#     17:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 17, nxpk= 10, iat= 698, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:18      44 VAL  HN          3.50    (#     18:10  Single Ambig)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 700,1096,1097,
 &end
#
#   43 THR  MG2          44 VAL  HN          4.50    (#     19:10  Unique         2.12, 3.58 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 688, 689, 690,
 &end
#
#    0 AMB  10-2:20      44 VAL  HN          3.50    (#     20:10  Single Ambig)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 702, 703, 704, 706, 707, 708,1082,1083,1084,1086,
      1087,1088,1082,1083,1084,1086,1087,1088,
 &end
#
#   45 LYS  HA           45 LYS  HN          4.50    (#     21:10  Unique         2.86, 2.90 A)
 &rst
  ixpk= 21, nxpk= 10, iat= 714, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 VAL  HA           45 LYS  HN          2.80    (#     22:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 22, nxpk= 10, iat= 698, 712, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:23      45 LYS  HN          3.50    (#     23:10  Single Ambig)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 702, 703, 704, 706, 707, 708, 719, 720,
 &end
#
#    0 AMB  10-2:24      45 LYS  HN          3.50    (#     24:10  Single Ambig)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 716, 717, 716, 717,
 &end
#
#    4 TRP  HA           45 LYS  HN          4.50    (#     25:10  Unique         4.10, 4.43 A)
 &rst
  ixpk= 25, nxpk= 10, iat=  48, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:26       6 ASP  HN          4.50    (#     26:10  Single Ambig)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 373,  65, 286, 101,
 &end
#
#    5 ILE  HA            6 ASP  HN          2.80    (#     27:10  Unique         2.16, 2.28 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  72,  89, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 ASP  HB+           6 ASP  HN          3.50    (#     28:10  Unique         2.10, 3.03 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  93,  94,
 &end
#
#    6 ASP  HB-           6 ASP  HN          4.50    (#     29:10  Unique         2.10, 3.03 A)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  93,  94,
 &end
#
#    5 ILE  QG2           6 ASP  HN          3.50    (#     30:10  Unique         3.27, 4.43 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  76,  77,  78,
 &end
#
#    6 ASP  HA            6 ASP  HN          5.50    (#     31:10  Unique         2.84, 2.84 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  91,  89, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 ALA  MB            6 ASP  HN          5.50    (#     32:10  Unique         2.59, 4.19 A)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 334, 335, 336,
 &end
#
#   69 VAL  HN           68 HIS  HN          5.50    (#     33:10  Unique         2.30, 3.28 A)
 &rst
  ixpk= 33, nxpk= 10, iat=1076,1059, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 THR  HN           68 HIS  HN          3.50    (#     34:10  Unique         1.89, 2.56 A)
 &rst
  ixpk= 34, nxpk= 10, iat=1045,1059, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 HIS  HA           68 HIS  HN          4.50    (#     35:10  Unique         2.79, 2.90 A)
 &rst
  ixpk= 35, nxpk= 10, iat=1061,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 THR  HA           68 HIS  HN          4.50    (#     37:10  Unique         2.40, 2.97 A)
 &rst
  ixpk= 37, nxpk= 10, iat=1047,1059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 HIS  HB+          68 HIS  HN          5.50    (#     38:10  Unique         2.59, 3.37 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#   68 HIS  HB-          68 HIS  HN          4.50    (#     39:10  Unique         2.59, 3.37 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1063,1064,
 &end
#
#    0 AMB  10-2:40      68 HIS  HN          4.50    (#     40:10  Single Ambig)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   69 VAL  HA           70 GLU  HN          2.80    (#     41:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 41, nxpk= 10, iat=1078,1092, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   45 LYS  HA           70 GLU  HN          4.50    (#     42:10  Unique         2.30, 3.94 A)
 &rst
  ixpk= 42, nxpk= 10, iat= 714,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 GLU  HA           70 GLU  HN          4.50    (#     43:10  Unique         2.88, 2.93 A)
 &rst
  ixpk= 43, nxpk= 10, iat=1094,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:44      70 GLU  HN          4.50    (#     44:10  Single Ambig)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1099,1100,1099,1100,
 &end
#
#    0 AMB  10-2:45      70 GLU  HN          3.50    (#     45:10  Single Ambig)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1096,1097,1080,
 &end
#
#   70 GLU  HB-          70 GLU  HN          4.50    (#     46:10  Unique         2.15, 2.75 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1096,1097,
 &end
#
#    0 AMB  10-2:47      70 GLU  HN          3.50    (#     47:10  Single Ambig)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   21 ALA  HA            4 TRP  HN          5.50    (#     48:10  Unique         3.01, 3.57 A)
 &rst
  ixpk= 48, nxpk= 10, iat= 332,  46, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 TRP  HD1           4 TRP  HN          4.50    (#     49:10  Unique         2.51, 3.18 A)
 &rst
  ixpk= 49, nxpk= 10, iat=  54,  46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 HIS  HA            4 TRP  HN          2.80    (#     50:10  Unique         2.16, 2.23 A)
 &rst
  ixpk= 50, nxpk= 10, iat=  31,  46, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 TRP  HA            4 TRP  HN          4.50    (#     51:10  Unique         2.86, 2.89 A)
 &rst
  ixpk= 51, nxpk= 10, iat=  48,  46, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HB+           4 TRP  HN          3.50    (#     52:10  Unique         2.21, 2.92 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1,  46, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#   24 ILE  HG1-         24 ILE  HN          5.50    (#     53:10  Unique         2.53, 3.58 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 383, 384,
 &end
#
#   23 ASN  HD2-         24 ILE  HN          4.50    (#     54:10  Unique         3.05, 4.06 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 368, 369,
 &end
#
#    7 VAL  HA           24 ILE  HN          5.50    (#     55:10  Unique         3.99, 4.52 A)
 &rst
  ixpk= 55, nxpk= 10, iat= 103, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 ASN  HA           24 ILE  HN          2.80    (#     56:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 56, nxpk= 10, iat= 361, 373, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 ILE  HA           24 ILE  HN          4.50    (#     57:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 57, nxpk= 10, iat= 375, 373, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:58      24 ILE  HN          4.50    (#     58:10  Single Ambig)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 377, 350, 351,
 &end
#
#    5 ILE  QG2          24 ILE  HN          4.50    (#     59:10  Unique         3.05, 4.60 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  76,  77,  78,
 &end
#
#   23 ASN  HA           23 ASN  HN          4.50    (#     60:10  Unique         2.85, 2.91 A)
 &rst
  ixpk= 60, nxpk= 10, iat= 361, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ILE  HA           23 ASN  HN          2.80    (#     61:10  Unique         2.14, 2.26 A)
 &rst
  ixpk= 61, nxpk= 10, iat= 342, 359, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   23 ASN  HB+          23 ASN  HN          3.50    (#     62:10  Unique         2.23, 2.66 A)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 363, 364,
 &end
#
#   22 ILE  HB           23 ASN  HN          4.50    (#     63:10  Unique         3.71, 4.03 A)
 &rst
  ixpk= 63, nxpk= 10, iat= 344, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:64      23 ASN  HN          4.50    (#     64:10  Single Ambig)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 346, 347, 348, 353, 354, 355,
 &end
#
#   23 ASN  HB-          23 ASN  HN          3.50    (#     65:10  Unique         2.23, 2.66 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 363, 364,
 &end
#
#   84 LYS  HA           84 LYS  HN          4.50    (#     66:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 66, nxpk= 10, iat=1298,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 VAL  HA           84 LYS  HN          2.80    (#     67:10  Unique         2.14, 2.24 A)
 &rst
  ixpk= 67, nxpk= 10, iat=1282,1296, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 LYS  HB+          84 LYS  HN          4.50    (#     68:10  Unique         2.18, 2.90 A)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1300,1301,
 &end
#
#    0 AMB  10-2:69      84 LYS  HN          3.50    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1300,1301,1306,1307,1306,1307,
 &end
#
#    0 AMB  10-2:70      84 LYS  HN          3.50    (#     70:10  Single Ambig)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1284,1303,1304,1303,1304,
 &end
#
#   83 VAL  MGY          84 LYS  HN          4.50    (#     71:10  Unique         3.72, 4.71 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   83 VAL  MGX          84 LYS  HN          4.50    (#     72:10  Unique         3.72, 4.71 A)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   35 THR  HA           36 ALA  HN          4.50    (#     73:10  Unique         2.68, 3.35 A)
 &rst
  ixpk= 73, nxpk= 10, iat= 570, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 ILE  HA           36 ALA  HN          4.50    (#     74:10  Unique         2.83, 3.72 A)
 &rst
  ixpk= 74, nxpk= 10, iat= 541, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 VAL  HN           36 ALA  HN          2.80    (#     75:10  Unique         1.89, 2.32 A)
 &rst
  ixpk= 75, nxpk= 10, iat= 592, 582, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 ALA  HA           36 ALA  HN          3.50    (#     76:10  Unique         2.81, 2.88 A)
 &rst
  ixpk= 76, nxpk= 10, iat= 584, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ALA  MB           36 ALA  HN          2.80    (#     77:10  Unique         2.11, 3.04 A)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 586, 587, 588,
 &end
#
#   41 ASN  HN           40 LYS  HN          4.50    (#     78:10  Unique         1.89, 2.81 A)
 &rst
  ixpk= 78, nxpk= 10, iat= 656, 634, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 ASP  HA           40 LYS  HN          2.80    (#     79:10  Unique         2.14, 2.22 A)
 &rst
  ixpk= 79, nxpk= 10, iat= 624, 634, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   40 LYS  HA           40 LYS  HN          4.50    (#     80:10  Unique         2.81, 2.91 A)
 &rst
  ixpk= 80, nxpk= 10, iat= 636, 634, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 LYS  HB+          40 LYS  HN          4.50    (#     81:10  Unique         2.52, 3.24 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 638, 639,
 &end
#
#    0 AMB  10-2:82      40 LYS  HN          3.50    (#     82:10  Single Ambig)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 641, 642, 644, 645,
 &end
#
#   40 LYS  HG-          40 LYS  HN          4.50    (#     83:10  Unique         1.95, 2.69 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 641, 642,
 &end
#
#   40 LYS  HB-          40 LYS  HN          3.50    (#     84:10  Unique         2.52, 3.24 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#   46 VAL  HA            5 ILE  HN          4.50    (#     85:10  Unique         4.26, 4.47 A)
 &rst
  ixpk= 85, nxpk= 10, iat= 736,  70, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 TRP  HA            5 ILE  HN          2.80    (#     86:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 86, nxpk= 10, iat=  48,  70, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    5 ILE  HB            5 ILE  HN          3.50    (#     87:10  Unique         2.55, 2.60 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  74,  70, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:88       5 ILE  HN          4.50    (#     88:10  Single Ambig)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  80,  81,  80,  81,
 &end
#
#    0 AMB  10-2:89       5 ILE  HN          4.50    (#     89:10  Single Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 702, 703, 704, 706, 707, 708,  76,  77,  78,
 &end
#
#   62 SER  HN           63 GLU  HN          3.50    (#     91:10  Unique         2.18, 2.52 A)
 &rst
  ixpk= 91, nxpk= 10, iat= 974, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 MET  HN           63 GLU  HN          3.50    (#     92:10  Unique         2.25, 2.62 A)
 &rst
  ixpk= 92, nxpk= 10, iat=1000, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:93      63 GLU  HN          2.80    (#     93:10  Single Ambig)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 978, 979, 987,
 &end
#
#   60 ILE  HA           63 GLU  HN          4.50    (#     94:10  Unique         3.01, 3.27 A)
 &rst
  ixpk= 94, nxpk= 10, iat= 938, 985, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLU  HG+          63 GLU  HN          4.50    (#     95:10  Unique         3.08, 4.22 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 992, 993,
 &end
#
#    0 AMB  10-2:96      63 GLU  HN          2.80    (#     96:10  Single Ambig)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 989, 990, 989, 990,
 &end
#
#    5 ILE  HA            5 ILE  HN          4.50    (#     97:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 97, nxpk= 10, iat=  72,  70, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 SER  HA           63 GLU  HN          5.50    (#     98:10  Unique         3.44, 3.50 A)
 &rst
  ixpk= 98, nxpk= 10, iat= 976, 985, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   76 LYS  HN           75 LEU  HN          4.50    (#     99:10  Unique         2.01, 2.99 A)
 &rst
  ixpk= 99, nxpk= 10, iat=1164,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 ASN  HA           75 LEU  HN          4.50    (#    100:10  Unique         2.85, 3.80 A)
 &rst
  ixpk= 100, nxpk= 10, iat= 784,1145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 GLY  HA+          75 LEU  HN          2.80    (#    101:10  Unique         2.14, 2.66 A)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1140,1141,
 &end
#
#   75 LEU  HA           75 LEU  HN          3.50    (#    102:10  Unique         2.76, 2.84 A)
 &rst
  ixpk= 102, nxpk= 10, iat=1147,1145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 GLY  HA-          75 LEU  HN          3.50    (#    103:10  Unique         2.14, 2.66 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1140,1141,
 &end
#
#   75 LEU  HB+          75 LEU  HN          3.50    (#    104:10  Unique         2.04, 2.64 A)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1149,1150,
 &end
#
#   75 LEU  HB-          75 LEU  HN          2.80    (#    105:10  Unique         2.04, 2.64 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1149,1150,
 &end
#
#   35 THR  HN           34 ALA  HN          3.50    (#    106:10  Unique         2.26, 2.52 A)
 &rst
  ixpk= 106, nxpk= 10, iat= 568, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ALA  HA           34 ALA  HN          3.50    (#    107:10  Unique         2.78, 2.89 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 560, 558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 ILE  HA           34 ALA  HN          4.50    (#    108:10  Unique         3.41, 3.46 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 541, 558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ALA  MB           34 ALA  HN          2.80    (#    109:10  Unique         2.16, 2.94 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 562, 563, 564,
 &end
#
#   33 ILE  QG2          34 ALA  HN          2.80    (#    110:10  Unique         2.00, 3.12 A)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 545, 546, 547,
 &end
#
#   27 LYS  HN           26 LEU  HN          4.50    (#    111:10  Unique         2.56, 2.72 A)
 &rst
  ixpk= 111, nxpk= 10, iat= 425, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HA           26 LEU  HN          4.50    (#    112:10  Unique         2.78, 3.55 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 103, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 PRO  HA           26 LEU  HN          2.80    (#    113:10  Unique         2.25, 2.32 A)
 &rst
  ixpk= 113, nxpk= 10, iat= 402, 406, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:114     26 LEU  HN          4.50    (#    114:10  Single Ambig)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 844, 845, 105,
 &end
#
#   25 PRO  HB+          26 LEU  HN          4.50    (#    115:10  Unique         2.42, 3.22 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 399, 400,
 &end
#
#   26 LEU  HB+          26 LEU  HN          3.50    (#    116:10  Unique         2.29, 2.57 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 410, 411,
 &end
#
#    0 AMB  10-2:117     26 LEU  HN          4.50    (#    117:10  Single Ambig)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 413, 399, 400,
 &end
#
#   26 LEU  HB-          26 LEU  HN          3.50    (#    118:10  Unique         2.29, 2.57 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 410, 411,
 &end
#
#   26 LEU  MDY          26 LEU  HN          4.50    (#    119:10  Unique         2.25, 5.00 A)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#    7 VAL  MGY          26 LEU  HN          4.50    (#    120:10  Unique         2.08, 4.84 A)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   77 ASP  HN           78 ILE  HN          3.50    (#    121:10  Unique         1.90, 2.25 A)
 &rst
  ixpk= 121, nxpk= 10, iat=1186,1198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  HA           78 ILE  HN          4.50    (#    122:10  Unique         2.75, 2.80 A)
 &rst
  ixpk= 122, nxpk= 10, iat=1200,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ILE  HG1-         78 ILE  HN          3.50    (#    123:10  Unique         1.94, 2.81 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#   78 ILE  HB           78 ILE  HN          2.80    (#    124:10  Unique         2.51, 2.59 A)
 &rst
  ixpk= 124, nxpk= 10, iat=1202,1198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 ILE  HG1+         78 ILE  HN          4.50    (#    125:10  Unique         1.94, 2.81 A)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1208,1209,
 &end
#
#   78 ILE  QG2          78 ILE  HN          4.50    (#    126:10  Unique         4.38, 4.53 A)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1204,1205,1206,
 &end
#
#   19 GLN  HA           21 ALA  HN          5.50    (#    127:10  Unique         3.37, 4.19 A)
 &rst
  ixpk= 127, nxpk= 10, iat= 308, 330, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 ALA  MB           21 ALA  HN          2.80    (#    128:10  Unique         2.48, 3.24 A)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 334, 335, 336,
 &end
#
#   18 VAL  MGX          21 ALA  HN          5.50    (#    129:10  Unique         3.97, 7.38 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  10-2:132      0 AMB  10-1:132    3.50    (#    132:10  Double Ambig)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1= 124, 125, 124, 125, 334, 335, 336,
 igr2= 782, 340,
 &end
#
#   21 ALA  HA           22 ILE  HN          3.50    (#    133:10  Unique         2.16, 2.44 A)
 &rst
  ixpk= 133, nxpk= 10, iat= 332, 340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ILE  HG1-         22 ILE  HN          4.50    (#    134:10  Unique         2.13, 4.44 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351,
 &end
#
#   22 ILE  HG1+         22 ILE  HN          4.50    (#    135:10  Unique         2.13, 4.44 A)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 350, 351,
 &end
#
#   22 ILE  QG2          22 ILE  HN          4.50    (#    136:10  Unique         2.05, 3.14 A)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 346, 347, 348,
 &end
#
#   22 ILE  HA           22 ILE  HN          4.50    (#    137:10  Unique         2.76, 2.92 A)
 &rst
  ixpk= 137, nxpk= 10, iat= 342, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HN           21 ALA  HN          4.50    (#    138:10  Unique         1.94, 2.58 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 323, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:139     21 ALA  HN          4.50    (#    139:10  Single Ambig)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 286, 318, 319,
 &end
#
#   21 ALA  HA           21 ALA  HN          4.50    (#    140:10  Unique         2.79, 2.92 A)
 &rst
  ixpk= 140, nxpk= 10, iat= 332, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 LYS  HA           82 LYS  HN          4.50    (#    142:10  Unique         2.80, 2.89 A)
 &rst
  ixpk= 142, nxpk= 10, iat=1260,1258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 PRO  HA           82 LYS  HN          2.80    (#    143:10  Unique         2.28, 2.38 A)
 &rst
  ixpk= 143, nxpk= 10, iat=1254,1258, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   81 PRO  HB+          82 LYS  HN          4.50    (#    144:10  Unique         2.07, 3.26 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1251,1252,
 &end
#
#   81 PRO  HB-          82 LYS  HN          4.50    (#    145:10  Unique         2.07, 3.26 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1251,1252,
 &end
#
#   82 LYS  HD+          82 LYS  HN          4.50    (#    146:10  Unique         2.20, 3.08 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1268,1269,
 &end
#
#   82 LYS  HG-          82 LYS  HN          5.50    (#    147:10  Unique         2.24, 3.80 A)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1265,1266,
 &end
#
#   48 CYS  HB+          49 ASN  HN          4.50    (#    148:10  Unique         1.91, 2.77 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 775, 776,
 &end
#
#    0 AMB  10-2:149     49 ASN  HN          4.50    (#    149:10  Single Ambig)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 791, 792,1145,
 &end
#
#   48 CYS  HB-          49 ASN  HN          3.50    (#    150:10  Unique         1.91, 2.77 A)
 &rst
  ixpk= 150, nxpk= 10, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 775, 776,
 &end
#
#   49 ASN  HB+          49 ASN  HN          3.50    (#    151:10  Unique         2.10, 2.64 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 786, 787,
 &end
#
#   41 ASN  HN           42 ASP  HN          2.80    (#    152:10  Unique         1.89, 2.54 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 656, 670, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   41 ASN  HA           42 ASP  HN          4.50    (#    153:10  Unique         2.45, 2.99 A)
 &rst
  ixpk= 153, nxpk= 10, iat= 658, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ASP  HA           42 ASP  HN          3.50    (#    154:10  Unique         2.76, 2.87 A)
 &rst
  ixpk= 154, nxpk= 10, iat= 672, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 LYS  HA           42 ASP  HN          5.50    (#    155:10  Unique         3.42, 4.05 A)
 &rst
  ixpk= 155, nxpk= 10, iat= 636, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:156     42 ASP  HN          2.80    (#    156:10  Single Ambig)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 626, 627, 674, 675,1063,1064,
 &end
#
#   42 ASP  HB-          42 ASP  HN          3.50    (#    157:10  Unique         2.10, 3.06 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#   37 VAL  MGY          42 ASP  HN          5.50    (#    158:10  Unique         4.52, 6.54 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   57 ALA  HN           56 GLN  HN          3.50    (#    159:10  Unique         2.25, 2.59 A)
 &rst
  ixpk= 159, nxpk= 10, iat= 889, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 ARG  HA           56 GLN  HN          4.50    (#    160:10  Unique         3.16, 3.65 A)
 &rst
  ixpk= 160, nxpk= 10, iat= 815, 872, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 GLN  HA           56 GLN  HN          3.50    (#    161:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 161, nxpk= 10, iat= 874, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:162     56 GLN  HN          3.50    (#    162:10  Single Ambig)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 879, 880, 879, 880,
 &end
#
#   56 GLN  HB+          56 GLN  HN          3.50    (#    163:10  Unique         2.11, 2.78 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 876, 877,
 &end
#
#   56 GLN  HB-          56 GLN  HN          4.50    (#    164:10  Unique         2.11, 2.78 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 876, 877,
 &end
#
#    7 VAL  HN            8 ARG  HN          4.50    (#    165:10  Unique         2.08, 2.44 A)
 &rst
  ixpk= 165, nxpk= 10, iat= 101, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HA            8 ARG  HN          5.50    (#    166:10  Unique         3.18, 3.33 A)
 &rst
  ixpk= 166, nxpk= 10, iat= 103, 117, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    8 ARG  HA            8 ARG  HN          4.50    (#    167:10  Unique         2.74, 2.78 A)
 &rst
  ixpk= 167, nxpk= 10, iat= 119, 117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:168      8 ARG  HN          4.50    (#    168:10  Single Ambig)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125, 124, 125,
 &end
#
#   32 ARG  HA           33 ILE  HN          5.50    (#    169:10  Unique         2.43, 3.23 A)
 &rst
  ixpk= 169, nxpk= 10, iat= 517, 539, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:170     33 ILE  HN          4.50    (#    170:10  Single Ambig)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 379, 380, 381, 386, 387, 388,
 &end
#
#   32 ARG  HN           33 ILE  HN          3.50    (#    171:10  Unique         1.92, 2.24 A)
 &rst
  ixpk= 171, nxpk= 10, iat= 515, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:172     33 ILE  HN          2.80    (#    172:10  Single Ambig)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 543, 519, 520,
 &end
#
#   33 ILE  QG2          33 ILE  HN          2.80    (#    173:10  Unique         1.97, 3.09 A)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 545, 546, 547,
 &end
#
#   68 HIS  HN           69 VAL  HN          5.50    (#    174:10  Unique         2.30, 3.28 A)
 &rst
  ixpk= 174, nxpk= 10, iat=1059,1076, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 VAL  HA           69 VAL  HN          4.50    (#    175:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 175, nxpk= 10, iat=1078,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 HIS  HA           69 VAL  HN          2.80    (#    176:10  Unique         2.14, 2.46 A)
 &rst
  ixpk= 176, nxpk= 10, iat=1061,1076, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 VAL  HB           69 VAL  HN          3.50    (#    177:10  Unique         2.51, 2.79 A)
 &rst
  ixpk= 177, nxpk= 10, iat=1080,1076, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:178     69 VAL  HN          3.50    (#    178:10  Single Ambig)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,1076, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    8 ARG  HB+           8 ARG  HN          4.50    (#    179:10  Unique         2.17, 2.89 A)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 121, 122,
 &end
#
#    8 ARG  HB-           8 ARG  HN          3.50    (#    180:10  Unique         2.17, 2.89 A)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 121, 122,
 &end
#
#   34 ALA  HN           33 ILE  HN          4.50    (#    181:10  Unique         1.90, 2.31 A)
 &rst
  ixpk= 181, nxpk= 10, iat= 558, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HA           33 ILE  HN          4.50    (#    182:10  Unique         3.06, 3.91 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 464, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 ARG  HB-          33 ILE  HN          4.50    (#    183:10  Unique         2.44, 3.63 A)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 519, 520,
 &end
#
#   33 ILE  HA           33 ILE  HN          3.50    (#    184:10  Unique         2.76, 2.87 A)
 &rst
  ixpk= 184, nxpk= 10, iat= 541, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 ARG  HA           52 ARG  HN          4.50    (#    185:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 185, nxpk= 10, iat= 815, 813, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:186     52 ARG  HN          3.50    (#    186:10  Single Ambig)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 817, 818, 817, 818,
 &end
#
#   58 LYS  HN           57 ALA  HN          3.50    (#    187:10  Unique         2.17, 2.29 A)
 &rst
  ixpk= 187, nxpk= 10, iat= 899, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 GLN  HN           57 ALA  HN          3.50    (#    188:10  Unique         2.25, 2.59 A)
 &rst
  ixpk= 188, nxpk= 10, iat= 872, 889, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 GLN  HA           57 ALA  HN          4.50    (#    189:10  Unique         3.40, 3.47 A)
 &rst
  ixpk= 189, nxpk= 10, iat= 874, 889, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:190     57 ALA  HN          2.80    (#    190:10  Single Ambig)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 891, 856,
 &end
#
#   56 GLN  HB+          57 ALA  HN          3.50    (#    191:10  Unique         2.55, 3.38 A)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 876, 877,
 &end
#
#   56 GLN  HB-          57 ALA  HN          4.50    (#    192:10  Unique         2.55, 3.38 A)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 876, 877,
 &end
#
#   57 ALA  MB           57 ALA  HN          2.80    (#    193:10  Unique         2.19, 2.96 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 893, 894, 895,
 &end
#
#   26 LEU  MDY          57 ALA  HN          3.50    (#    194:10  Unique         2.38, 4.61 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 889, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 415, 416, 417, 419, 420, 421,
 &end
#
#    0 AMB  10-2:195      3 HIS  HN          4.50    (#    195:10  Single Ambig)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  18,  19,  18,  19,
 &end
#
#   30 LYS  HN           29 VAL  HN          3.50    (#    196:10  Unique         2.20, 2.24 A)
 &rst
  ixpk= 196, nxpk= 10, iat= 478, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 GLU  HN           29 VAL  HN          2.80    (#    197:10  Unique         1.89, 2.48 A)
 &rst
  ixpk= 197, nxpk= 10, iat= 447, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   28 GLU  HA           29 VAL  HN          4.50    (#    198:10  Unique         2.65, 2.82 A)
 &rst
  ixpk= 198, nxpk= 10, iat= 449, 462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HA           29 VAL  HN          4.50    (#    199:10  Unique         2.93, 3.26 A)
 &rst
  ixpk= 199, nxpk= 10, iat= 408, 462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HA           29 VAL  HN          3.50    (#    200:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 200, nxpk= 10, iat= 464, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HB           29 VAL  HN          2.80    (#    201:10  Unique         2.37, 2.68 A)
 &rst
  ixpk= 201, nxpk= 10, iat= 466, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:202     29 VAL  HN          4.50    (#    202:10  Single Ambig)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 452, 482, 483, 429, 430,
 &end
#
#   29 VAL  MGY          29 VAL  HN          2.80    (#    203:10  Unique         1.94, 3.81 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  MGX          29 VAL  HN          4.50    (#    204:10  Unique         1.94, 3.81 A)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   24 ILE  QG2          29 VAL  HN          4.50    (#    205:10  Unique         3.83, 5.15 A)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 379, 380, 381,
 &end
#
#   71 ASN  HA           71 ASN  HN          4.50    (#    206:10  Unique         2.79, 2.84 A)
 &rst
  ixpk= 206, nxpk= 10, iat=1109,1107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:207     71 ASN  HN          4.50    (#    207:10  Single Ambig)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1096,1097,1080,
 &end
#
#    3 HIS  HD2           3 HIS  HN          5.50    (#    208:10  Unique         2.18, 2.69 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  42,  29, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    2 GLU  HA            3 HIS  HN          2.80    (#    209:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 209, nxpk= 10, iat=  16,  29, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   44 VAL  HA            3 HIS  HN          4.50    (#    210:10  Unique         3.60, 4.24 A)
 &rst
  ixpk= 210, nxpk= 10, iat= 698,  29, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 HIS  HB-           3 HIS  HN          4.50    (#    211:10  Unique         2.61, 3.27 A)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  33,  34,
 &end
#
#   18 VAL  HA           18 VAL  HN          4.50    (#    212:10  Unique         2.28, 2.77 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 292, 290, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 HIS  HB+          18 VAL  HN          5.50    (#    213:10  Unique         2.02, 3.32 A)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 277, 278,
 &end
#
#   17 HIS  HB-          18 VAL  HN          4.50    (#    214:10  Unique         2.02, 3.32 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 277, 278,
 &end
#
#    0 AMB  10-2:215     18 VAL  HN          4.50    (#    215:10  Single Ambig)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 265, 266, 334, 335, 336,1208,1209,
 &end
#
#    0 AMB  10-2:216     18 VAL  HN          3.50    (#    216:10  Single Ambig)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 294,1262,1263,
 &end
#
#   18 VAL  MGY          18 VAL  HN          3.50    (#    217:10  Unique         2.04, 3.78 A)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 296, 297, 298, 300, 301, 302,
 &end
#
#   17 HIS  HA           18 VAL  HN          3.50    (#    218:10  Unique         2.29, 2.52 A)
 &rst
  ixpk= 218, nxpk= 10, iat= 275, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 GLU  HA           71 ASN  HN          2.80    (#    219:10  Unique         2.14, 2.19 A)
 &rst
  ixpk= 219, nxpk= 10, iat=1094,1107, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 ASN  HB+          71 ASN  HN          3.50    (#    220:10  Unique         2.17, 2.61 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1111,1112,
 &end
#
#   71 ASN  HB-          71 ASN  HN          4.50    (#    221:10  Unique         2.17, 2.61 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1111,1112,
 &end
#
#    0 AMB  10-2:222     71 ASN  HN          5.50    (#    222:10  Single Ambig)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 909, 910,1096,1097,
 &end
#
#   58 LYS  HD-          71 ASN  HN          4.50    (#    223:10  Unique         2.90, 4.74 A)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 909, 910,
 &end
#
#    0 AMB  10-2:224     66 TYR  HN          3.50    (#    224:10  Single Ambig)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 976,1026,
 &end
#
#   65 GLY  HN           66 TYR  HN          2.80    (#    225:10  Unique         1.89, 2.20 A)
 &rst
  ixpk= 225, nxpk= 10, iat=1017,1024, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 TYR  HD           66 TYR  HN          2.80    (#    226:10  Unique         2.12, 3.55 A)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1032,1041,
 &end
#
#   65 GLY  HA+          66 TYR  HN          5.50    (#    227:10  Unique         2.64, 3.20 A)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1019,1020,
 &end
#
#   65 GLY  HA-          66 TYR  HN          4.50    (#    228:10  Unique         2.64, 3.20 A)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1019,1020,
 &end
#
#   66 TYR  HB+          66 TYR  HN          4.50    (#    229:10  Unique         2.58, 3.20 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1028,1029,
 &end
#
#   66 TYR  HB-          66 TYR  HN          2.80    (#    230:10  Unique         2.58, 3.20 A)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1028,1029,
 &end
#
#    0 AMB  10-2:231     60 ILE  HN          4.50    (#    231:10  Single Ambig)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 923, 957,
 &end
#
#   61 LEU  HN           60 ILE  HN          3.50    (#    232:10  Unique         2.45, 2.65 A)
 &rst
  ixpk= 232, nxpk= 10, iat= 955, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 GLU  HN           60 ILE  HN          3.50    (#    233:10  Unique         2.30, 2.66 A)
 &rst
  ixpk= 233, nxpk= 10, iat= 921, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   57 ALA  HA           60 ILE  HN          4.50    (#    234:10  Unique         3.12, 3.40 A)
 &rst
  ixpk= 234, nxpk= 10, iat= 891, 936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ILE  HA           60 ILE  HN          3.50    (#    235:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 235, nxpk= 10, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:236     60 ILE  HN          3.50    (#    236:10  Single Ambig)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 925, 926, 925, 926,
 &end
#
#   60 ILE  HG1-         60 ILE  HN          2.80    (#    237:10  Unique         1.93, 2.71 A)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 946, 947,
 &end
#
#   60 ILE  HG1+         60 ILE  HN          4.50    (#    238:10  Unique         1.93, 2.71 A)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 946, 947,
 &end
#
#   60 ILE  QD1          60 ILE  HN          3.50    (#    239:10  Unique         3.82, 4.33 A)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 949, 950, 951,
 &end
#
#   14 GLN  HN           13 TYR  HN          4.50    (#    240:10  Unique         2.65, 2.83 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 224, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HN           13 TYR  HN          2.80    (#    241:10  Unique         2.17, 2.21 A)
 &rst
  ixpk= 241, nxpk= 10, iat= 186, 203, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   10 PRO  HA           13 TYR  HN          4.50    (#    242:10  Unique         3.45, 3.52 A)
 &rst
  ixpk= 242, nxpk= 10, iat= 167, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 TYR  HA           13 TYR  HN          4.50    (#    243:10  Unique         2.75, 2.76 A)
 &rst
  ixpk= 243, nxpk= 10, iat= 205, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 TYR  HB+          13 TYR  HN          3.50    (#    244:10  Unique         2.07, 2.55 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 207, 208,
 &end
#
#   13 TYR  HB-          13 TYR  HN          3.50    (#    245:10  Unique         2.07, 2.55 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 207, 208,
 &end
#
#    0 AMB  10-2:246     13 TYR  HN          4.50    (#    246:10  Single Ambig)
 &rst
  ixpk= 246, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 190, 191, 121, 122, 245, 246,
 &end
#
#   12 GLN  HB-          13 TYR  HN          3.50    (#    247:10  Unique         3.01, 3.62 A)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 190, 191,
 &end
#
#   80 MET  HG+          80 MET  HN          5.50    (#    248:10  Unique         2.34, 3.53 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1234,1235,
 &end
#
#   80 MET  HB+          80 MET  HN          5.50    (#    249:10  Unique         2.16, 3.09 A)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1231,1232,
 &end
#
#   80 MET  HA           80 MET  HN          4.50    (#    250:10  Unique         2.76, 2.86 A)
 &rst
  ixpk= 250, nxpk= 10, iat=1229,1227, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 ALA  HA           80 MET  HN          3.50    (#    251:10  Unique         2.18, 3.06 A)
 &rst
  ixpk= 251, nxpk= 10, iat=1219,1227, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 LYS  HE+          80 MET  HN          5.50    (#    252:10  Unique         3.42, 5.33 A)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   79 ALA  MB           80 MET  HN          4.50    (#    253:10  Unique         2.84, 4.05 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1221,1222,1223,
 &end
#
#   80 MET  HB-          80 MET  HN          4.50    (#    254:10  Unique         2.16, 3.09 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1231,1232,
 &end
#
#   78 ILE  QG2          80 MET  HN          3.50    (#    255:10  Unique         1.95, 3.04 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1204,1205,1206,
 &end
#
#    0 AMB  10-2:256     49 ASN  HD2-        4.50    (#    256:10  Single Ambig)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 782,1164,
 igr2= 791, 792,
 &end
#
#   50 ALA  HN           49 ASN  HD2-        3.50    (#    257:10  Unique         2.81, 3.93 A)
 &rst
  ixpk= 257, nxpk= 10, iat= 796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 791, 792,
 &end
#
#   75 LEU  HB-          49 ASN  HD2-        3.50    (#    259:10  Unique         3.14, 4.50 A)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1149,1150,
 igr2= 791, 792,
 &end
#
#   60 ILE  HN           59 GLU  HN          3.50    (#    260:10  Unique         2.30, 2.66 A)
 &rst
  ixpk= 260, nxpk= 10, iat= 936, 921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   58 LYS  HA           59 GLU  HN          4.50    (#    261:10  Unique         3.41, 3.47 A)
 &rst
  ixpk= 261, nxpk= 10, iat= 901, 921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 LYS  HB-          59 GLU  HN          4.50    (#    262:10  Unique         2.45, 3.37 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 903, 904,
 &end
#
#    0 AMB  10-2:263      2 GLU  HN          3.50    (#    263:10  Single Ambig)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1,  14, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  18,  19,  18,  19,
 &end
#
#    2 GLU  HA            2 GLU  HN          5.50    (#    264:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  16,  14, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    1 ALA  HA            2 GLU  HN          3.50    (#    265:10  Unique         2.14, 2.36 A)
 &rst
  ixpk= 265, nxpk= 10, iat=   6,  14, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    1 ALA  MB            2 GLU  HN          4.50    (#    266:10  Unique         2.59, 4.07 A)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1,  14, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=   8,   9,  10,
 &end
#
#    0 AMB  10-2:268     49 ASN  HD2-        3.50    (#    268:10  Single Ambig)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 786, 787, 786, 787,
 igr2= 791, 792,
 &end
#
#   58 LYS  HN           59 GLU  HN          3.50    (#    269:10  Unique         2.47, 2.65 A)
 &rst
  ixpk= 269, nxpk= 10, iat= 899, 921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:270     59 GLU  HN          3.50    (#    270:10  Single Ambig)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 923, 867, 868,
 &end
#
#   59 GLU  HG+          59 GLU  HN          4.50    (#    271:10  Unique         1.94, 3.40 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#    0 AMB  10-2:272     59 GLU  HN          2.80    (#    272:10  Single Ambig)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 925, 926, 925, 926, 903, 904,
 &end
#
#   11 GLU  HA           14 GLN  HN          4.50    (#    273:10  Unique         4.27, 4.47 A)
 &rst
  ixpk= 273, nxpk= 10, iat= 173, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 TYR  HB+          14 GLN  HN          4.50    (#    274:10  Unique         2.43, 3.30 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 207, 208,
 &end
#
#    0 AMB  10-2:275     14 GLN  HN          3.50    (#    275:10  Single Ambig)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 231, 232, 231, 232,
 &end
#
#   12 GLN  HN           14 GLN  HN          4.50    (#    276:10  Unique         4.15, 4.42 A)
 &rst
  ixpk= 276, nxpk= 10, iat= 186, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLN  HN           14 GLN  HN          3.50    (#    277:10  Unique         2.12, 2.84 A)
 &rst
  ixpk= 277, nxpk= 10, iat= 241, 224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 GLN  HA           14 GLN  HN          3.50    (#    278:10  Unique         2.84, 2.91 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 226, 224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:279     14 GLN  HN          4.50    (#    279:10  Single Ambig)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 207, 208, 248, 249,
 &end
#
#    0 AMB  10-2:280     14 GLN  HN          2.80    (#    280:10  Single Ambig)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 228, 229, 228, 229,
 &end
#
#   19 GLN  HN           83 VAL  HN          5.50    (#    281:10  Unique         2.94, 3.77 A)
 &rst
  ixpk= 281, nxpk= 10, iat= 306,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 VAL  HA           83 VAL  HN          5.50    (#    282:10  Unique         3.21, 3.66 A)
 &rst
  ixpk= 282, nxpk= 10, iat= 292,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 HIS  HN           83 VAL  HN          4.50    (#    283:10  Unique         2.41, 3.76 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 273,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:284     83 VAL  HN          2.80    (#    284:10  Single Ambig)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1260, 260,
 &end
#
#   83 VAL  HA           83 VAL  HN          4.50    (#    285:10  Unique         2.90, 2.94 A)
 &rst
  ixpk= 285, nxpk= 10, iat=1282,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 LYS  HB+          83 VAL  HN          2.80    (#    286:10  Unique         1.95, 2.61 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1262,1263,
 &end
#
#   82 LYS  HB-          83 VAL  HN          3.50    (#    287:10  Unique         1.95, 2.61 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1262,1263,
 &end
#
#   83 VAL  MGX          83 VAL  HN          3.50    (#    288:10  Unique         1.96, 3.42 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   62 SER  HN           61 LEU  HN          3.50    (#    289:10  Unique         2.60, 2.74 A)
 &rst
  ixpk= 289, nxpk= 10, iat= 974, 955, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:290     61 LEU  HN          4.50    (#    290:10  Single Ambig)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 901, 891,
 &end
#
#   60 ILE  HA           61 LEU  HN          5.50    (#    291:10  Unique         3.46, 3.50 A)
 &rst
  ixpk= 291, nxpk= 10, iat= 938, 955, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:292     61 LEU  HN          2.80    (#    292:10  Single Ambig)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 959, 960, 946, 947,
 &end
#
#   61 LEU  HG           61 LEU  HN          3.50    (#    293:10  Unique         2.52, 2.83 A)
 &rst
  ixpk= 293, nxpk= 10, iat= 962, 955, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 LEU  HB-          61 LEU  HN          4.50    (#    294:10  Unique         2.09, 2.87 A)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 959, 960,
 &end
#
#    0 AMB  10-2:295     61 LEU  HN          3.50    (#    295:10  Single Ambig)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 949, 950, 951,1082,1083,1084,1086,1087,1088,1082,
      1083,1084,1086,1087,1088,
 &end
#
#    0 AMB  10-2:296     61 LEU  HN          4.50    (#    296:10  Single Ambig)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 &end
#
#   60 ILE  HN           61 LEU  HN          3.50    (#    297:10  Unique         2.45, 2.65 A)
 &rst
  ixpk= 297, nxpk= 10, iat= 936, 955, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 VAL  MGY          83 VAL  HN          4.50    (#    298:10  Unique         1.96, 3.42 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  10-2:299     61 LEU  HN          4.50    (#    299:10  Single Ambig)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 955, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 957, 923,
 &end
#
#   30 LYS  HG-          30 LYS  HN          5.50    (#    300:10  Unique         1.96, 3.75 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 485, 486,
 &end
#
#   37 VAL  HA           39 ASP  HN          5.50    (#    301:10  Unique         3.09, 3.25 A)
 &rst
  ixpk= 301, nxpk= 10, iat= 594, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HD+          39 ASP  HN          4.50    (#    302:10  Unique         2.68, 3.34 A)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 609, 610,
 &end
#
#   39 ASP  HB+          39 ASP  HN          3.50    (#    303:10  Unique         2.17, 2.94 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 626, 627,
 &end
#
#    0 AMB  10-2:304     39 ASP  HN          3.50    (#    304:10  Single Ambig)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 626, 627, 615, 616,
 &end
#
#    0 AMB  10-2:305     39 ASP  HN          3.50    (#    305:10  Single Ambig)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 612, 613, 612, 613,
 &end
#
#   39 ASP  HA           39 ASP  HN          4.50    (#    306:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 306, nxpk= 10, iat= 624, 622, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 VAL  MGY          39 ASP  HN          4.50    (#    307:10  Unique         2.41, 4.85 A)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1, 622, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#    0 AMB  10-2:308     58 LYS  HN          3.50    (#    308:10  Single Ambig)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 921, 872,
 &end
#
#    0 AMB  10-2:309     58 LYS  HN          3.50    (#    309:10  Single Ambig)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 901, 856,
 &end
#
#   58 LYS  HB+          58 LYS  HN          3.50    (#    310:10  Unique         2.07, 2.63 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 903, 904,
 &end
#
#   58 LYS  HB-          58 LYS  HN          3.50    (#    311:10  Unique         2.07, 2.63 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 903, 904,
 &end
#
#   57 ALA  MB           58 LYS  HN          3.50    (#    312:10  Unique         2.39, 3.73 A)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 893, 894, 895,
 &end
#
#    0 AMB  10-2:313     58 LYS  HN          5.50    (#    313:10  Single Ambig)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 906, 907, 906, 907,
 &end
#
#    0 AMB  10-2:314     58 LYS  HN          4.50    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
      1087,1088,1082,1083,1084,1086,1087,1088, 415, 416,
       417, 419, 420, 421,
 &end
#
#   57 ALA  HN           58 LYS  HN          4.50    (#    315:10  Unique         2.17, 2.29 A)
 &rst
  ixpk= 315, nxpk= 10, iat= 889, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HA           30 LYS  HN          5.50    (#    316:10  Unique         3.36, 3.47 A)
 &rst
  ixpk= 316, nxpk= 10, iat= 464, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 GLU  HN           30 LYS  HN          3.50    (#    317:10  Unique         2.45, 2.64 A)
 &rst
  ixpk= 317, nxpk= 10, iat= 500, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HN           30 LYS  HN          3.50    (#    318:10  Unique         2.20, 2.24 A)
 &rst
  ixpk= 318, nxpk= 10, iat= 462, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 LYS  HA           30 LYS  HN          3.50    (#    319:10  Unique         2.71, 2.81 A)
 &rst
  ixpk= 319, nxpk= 10, iat= 480, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HB           30 LYS  HN          4.50    (#    320:10  Unique         2.36, 3.91 A)
 &rst
  ixpk= 320, nxpk= 10, iat= 466, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 LYS  HB-          30 LYS  HN          2.80    (#    321:10  Unique         2.09, 2.76 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 482, 483,
 &end
#
#   30 LYS  HG+          30 LYS  HN          4.50    (#    322:10  Unique         1.96, 3.75 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 485, 486,
 &end
#
#   29 VAL  MGY          30 LYS  HN          4.50    (#    323:10  Unique         2.04, 3.96 A)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#   29 VAL  MGX          30 LYS  HN          4.50    (#    324:10  Unique         2.04, 3.96 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#    7 VAL  HN           47 TYR  HN          5.50    (#    325:10  Unique         2.24, 2.79 A)
 &rst
  ixpk= 325, nxpk= 10, iat= 101, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 VAL  HA           47 TYR  HN          2.80    (#    326:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 326, nxpk= 10, iat= 736, 750, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  MGY          47 TYR  HN          4.50    (#    327:10  Unique         2.30, 4.95 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   11 GLU  HN           12 GLN  HN          4.50    (#    328:10  Unique         2.16, 2.19 A)
 &rst
  ixpk= 328, nxpk= 10, iat= 171, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HA           12 GLN  HN          4.50    (#    329:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 329, nxpk= 10, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 GLU  HA           12 GLN  HN          4.50    (#    330:10  Unique         3.42, 3.46 A)
 &rst
  ixpk= 330, nxpk= 10, iat= 173, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:331      0 AMB  10-1:331    3.50    (#    331:10  Double Ambig)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 193, 194,  93,  94,
 igr2= 186, 101,
 &end
#
#    0 AMB  10-2:332      0 AMB  10-1:332    4.50    (#    332:10  Double Ambig)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 190, 191, 121, 122,
 igr2= 186, 101,
 &end
#
#   12 GLN  HB-          12 GLN  HN          2.80    (#    333:10  Unique         2.33, 2.97 A)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 190, 191,
 &end
#
#    9 VAL  MGX          12 GLN  HN          3.50    (#    334:10  Unique         1.94, 4.22 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    8 ARG  HN            7 VAL  HN          4.50    (#    335:10  Unique         2.08, 2.44 A)
 &rst
  ixpk= 335, nxpk= 10, iat= 117, 101, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:336     53 GLN  HN          4.50    (#    336:10  Single Ambig)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 813, 854,
 &end
#
#   52 ARG  HA           53 GLN  HN          4.50    (#    337:10  Unique         3.38, 3.56 A)
 &rst
  ixpk= 337, nxpk= 10, iat= 815, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 GLN  HG+          53 GLN  HN          3.50    (#    338:10  Unique         2.68, 3.79 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 844, 845,
 &end
#
#   53 GLN  HG-          53 GLN  HN          4.50    (#    339:10  Unique         2.68, 3.79 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 844, 845,
 &end
#
#   56 GLN  HB-          53 GLN  HN          4.50    (#    340:10  Unique         4.22, 5.29 A)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 876, 877,
 &end
#
#    0 AMB  10-2:341      7 VAL  HN          3.50    (#    341:10  Single Ambig)
 &rst
  ixpk= 341, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  91, 775, 776,
 &end
#
#    7 VAL  MGY           7 VAL  HN          4.50    (#    342:10  Unique         1.92, 3.43 A)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 VAL  MGX           7 VAL  HN          3.50    (#    343:10  Unique         1.92, 3.43 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   61 LEU  HN           62 SER  HN          3.50    (#    344:10  Unique         2.60, 2.74 A)
 &rst
  ixpk= 344, nxpk= 10, iat= 955, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 GLU  HN           62 SER  HN          3.50    (#    345:10  Unique         2.18, 2.52 A)
 &rst
  ixpk= 345, nxpk= 10, iat= 985, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 SER  HA           62 SER  HN          3.50    (#    346:10  Unique         2.78, 2.85 A)
 &rst
  ixpk= 346, nxpk= 10, iat= 976, 974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:347     62 SER  HN          2.80    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 978, 979, 978, 979,
 &end
#
#   61 LEU  HB+          62 SER  HN          3.50    (#    348:10  Unique         2.28, 3.03 A)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 959, 960,
 &end
#
#   61 LEU  HB-          62 SER  HN          4.50    (#    349:10  Unique         2.28, 3.03 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 959, 960,
 &end
#
#    0 AMB  10-2:350     62 SER  HN          4.50    (#    350:10  Single Ambig)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  10-2:351     85 GLY  HN          5.50    (#    351:10  Single Ambig)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1303,1304,1303,1304,
 &end
#
#   84 LYS  HA           85 GLY  HN          2.80    (#    352:10  Unique         2.14, 2.19 A)
 &rst
  ixpk= 352, nxpk= 10, iat=1298,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   15 GLN  HA           85 GLY  HN          4.50    (#    353:10  Unique         3.21, 4.14 A)
 &rst
  ixpk= 353, nxpk= 10, iat= 243,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   85 GLY  HA+          85 GLY  HN          3.50    (#    354:10  Unique         2.30, 2.67 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1320,1321,
 &end
#
#   85 GLY  HA-          85 GLY  HN          3.50    (#    355:10  Unique         2.30, 2.67 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1320,1321,
 &end
#
#    0 AMB  10-2:356     85 GLY  HN          4.50    (#    356:10  Single Ambig)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1300,1301, 265, 266,
 &end
#
#   16 GLU  HA           85 GLY  HN          5.50    (#    357:10  Unique         2.78, 4.07 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 260,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:358     85 GLY  HN          4.50    (#    358:10  Single Ambig)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1300,1301,1306,1307,1306,1307,
 &end
#
#   72 ALA  HN           46 VAL  HN          4.50    (#    359:10  Unique         2.07, 2.97 A)
 &rst
  ixpk= 359, nxpk= 10, iat=1121, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 VAL  HA           46 VAL  HN          4.50    (#    360:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 736, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASN  HA           46 VAL  HN          5.50    (#    361:10  Unique         2.34, 3.43 A)
 &rst
  ixpk= 361, nxpk= 10, iat=1109, 734, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 LYS  HA           46 VAL  HN          2.80    (#    362:10  Unique         2.14, 2.21 A)
 &rst
  ixpk= 362, nxpk= 10, iat= 714, 734, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 VAL  MGY          46 VAL  HN          4.50    (#    363:10  Unique         1.95, 3.26 A)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  10-2:364     46 VAL  HN          4.50    (#    364:10  Single Ambig)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 716, 717, 716, 717,
 &end
#
#   14 GLN  HN           15 GLN  HN          3.50    (#    365:10  Unique         2.12, 2.84 A)
 &rst
  ixpk= 365, nxpk= 10, iat= 224, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLU  HN           15 GLN  HN          4.50    (#    366:10  Unique         1.87, 2.97 A)
 &rst
  ixpk= 366, nxpk= 10, iat= 258, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLN  HA           15 GLN  HN          4.50    (#    367:10  Unique         2.75, 3.70 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 188, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLN  HA           15 GLN  HN          3.50    (#    368:10  Unique         2.75, 2.88 A)
 &rst
  ixpk= 368, nxpk= 10, iat= 243, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 GLN  HA           15 GLN  HN          4.50    (#    369:10  Unique         2.49, 3.01 A)
 &rst
  ixpk= 369, nxpk= 10, iat= 226, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLN  HG+          15 GLN  HN          3.50    (#    370:10  Unique         2.41, 3.57 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 248, 249,
 &end
#
#   15 GLN  HG-          15 GLN  HN          4.50    (#    371:10  Unique         2.41, 3.57 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 248, 249,
 &end
#
#    0 AMB  10-2:372     15 GLN  HN          2.80    (#    372:10  Single Ambig)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 245, 246, 245, 246,
 &end
#
#   27 LYS  HA           28 GLU  HN          5.50    (#    374:10  Unique         3.22, 3.45 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 427, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 LYS  HN           28 GLU  HN          3.50    (#    375:10  Unique         2.46, 2.67 A)
 &rst
  ixpk= 375, nxpk= 10, iat= 425, 447, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 VAL  HN           28 GLU  HN          2.80    (#    376:10  Unique         1.89, 2.48 A)
 &rst
  ixpk= 376, nxpk= 10, iat= 462, 447, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   28 GLU  HA           28 GLU  HN          4.50    (#    377:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 377, nxpk= 10, iat= 449, 447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:378     28 GLU  HN          3.50    (#    378:10  Single Ambig)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 454, 455, 451, 452, 399, 400,
 &end
#
#    0 AMB  10-2:379     28 GLU  HN          3.50    (#    379:10  Single Ambig)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 454, 455, 396, 397,
 &end
#
#    0 AMB  10-2:380     28 GLU  HN          3.50    (#    380:10  Single Ambig)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 451, 452, 429, 430,
 &end
#
#   25 PRO  HB-          28 GLU  HN          5.50    (#    381:10  Unique         3.18, 4.14 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 399, 400,
 &end
#
#    0 AMB  10-2:382     28 GLU  HN          5.50    (#    382:10  Single Ambig)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 432, 433, 432, 433,
 &end
#
#    2 GLU  HA           43 THR  HN          4.50    (#    383:10  Unique         3.40, 4.42 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  16, 682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ASP  HA           43 THR  HN          2.80    (#    384:10  Unique         2.14, 2.36 A)
 &rst
  ixpk= 384, nxpk= 10, iat= 672, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 THR  HB           43 THR  HN          2.80    (#    385:10  Unique         2.61, 2.71 A)
 &rst
  ixpk= 385, nxpk= 10, iat= 686, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 ASP  HB+          43 THR  HN          4.50    (#    386:10  Unique         1.95, 3.33 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 674, 675,
 &end
#
#   42 ASP  HB-          43 THR  HN          3.50    (#    387:10  Unique         1.95, 3.33 A)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#   43 THR  HG1          43 THR  HN          4.50    (#    388:10  Unique         2.08, 2.65 A)
 &rst
  ixpk= 388, nxpk= 10, iat= 692, 682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:389     77 ASP  HN          4.50    (#    389:10  Single Ambig)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1171,1172,1171,1172,
 &end
#
#   76 LYS  HN           77 ASP  HN          4.50    (#    390:10  Unique         2.19, 2.83 A)
 &rst
  ixpk= 390, nxpk= 10, iat=1164,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ASP  HB-          77 ASP  HN          3.50    (#    391:10  Unique         2.07, 2.99 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1190,1191,
 &end
#
#    0 AMB  10-2:392      0 AMB  10-1:392    4.50    (#    392:10  Double Ambig)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1168,1169,1208,1209, 940,
 igr2=1186,1000,
 &end
#
#   78 ILE  HN           77 ASP  HN          3.50    (#    393:10  Unique         1.90, 2.25 A)
 &rst
  ixpk= 393, nxpk= 10, iat=1198,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:394      0 AMB  10-1:394    4.50    (#    394:10  Double Ambig)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1188, 976,
 igr2=1186,1000,
 &end
#
#   39 ASP  HA           41 ASN  HN          4.50    (#    396:10  Unique         3.43, 4.07 A)
 &rst
  ixpk= 396, nxpk= 10, iat= 624, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:397      0 AMB  10-1:397    3.50    (#    397:10  Double Ambig)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1190,1191,1007,1008,
 igr2=1186,1000,
 &end
#
#   40 LYS  HA           41 ASN  HN          5.50    (#    398:10  Unique         2.55, 3.03 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 636, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   41 ASN  HB+          41 ASN  HN          3.50    (#    399:10  Unique         2.14, 3.10 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 660, 661,
 &end
#
#   40 LYS  HB-          41 ASN  HN          5.50    (#    400:10  Unique         2.24, 4.17 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 638, 639,
 &end
#
#   40 LYS  HN           41 ASN  HN          3.50    (#    401:10  Unique         1.89, 2.81 A)
 &rst
  ixpk= 401, nxpk= 10, iat= 634, 656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 ASP  HN           41 ASN  HN          3.50    (#    402:10  Unique         1.89, 2.54 A)
 &rst
  ixpk= 402, nxpk= 10, iat= 670, 656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ASN  HA           41 ASN  HN          4.50    (#    403:10  Unique         2.76, 2.88 A)
 &rst
  ixpk= 403, nxpk= 10, iat= 658, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASN  HB-          41 ASN  HN          3.50    (#    404:10  Unique         2.14, 3.10 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 660, 661,
 &end
#
#   63 GLU  HN           64 MET  HN          3.50    (#    405:10  Unique         2.25, 2.62 A)
 &rst
  ixpk= 405, nxpk= 10, iat= 985,1000, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 MET  HA           64 MET  HN          4.50    (#    406:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 406, nxpk= 10, iat=1002,1000, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:407     64 MET  HN          3.50    (#    407:10  Single Ambig)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 957, 987,
 &end
#
#    0 AMB  10-2:408     64 MET  HN          3.50    (#    408:10  Single Ambig)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1004,1005,1007,1008,
 &end
#
#   64 MET  HB-          64 MET  HN          3.50    (#    409:10  Unique         2.07, 2.83 A)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1004,1005,
 &end
#
#    0 AMB  10-2:410     64 MET  HN          3.50    (#    410:10  Single Ambig)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 989, 990, 989, 990,
 &end
#
#   77 ASP  HN           76 LYS  HN          4.50    (#    411:10  Unique         2.19, 2.83 A)
 &rst
  ixpk= 411, nxpk= 10, iat=1186,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 LYS  HA           76 LYS  HN          4.50    (#    412:10  Unique         2.27, 2.77 A)
 &rst
  ixpk= 412, nxpk= 10, iat=1166,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 LEU  HB+          76 LYS  HN          4.50    (#    413:10  Unique         1.95, 3.27 A)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1149,1150,
 &end
#
#    0 AMB  10-2:414      0 AMB  10-1:414    3.50    (#    414:10  Double Ambig)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1168,1169,1168,1169, 310, 311,
 igr2=1164, 323,
 &end
#
#    0 AMB  10-2:415     76 LYS  HN          4.50    (#    415:10  Single Ambig)
 &rst
  ixpk= 415, nxpk= 10, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1171,1172,1171,1172,
 &end
#
#   41 ASN  HB+          41 ASN  HD2+        4.50    (#    417:10  Unique         2.12, 3.22 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#   41 ASN  HB-          41 ASN  HD2+        3.50    (#    418:10  Unique         2.12, 3.22 A)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#   41 ASN  HB+          41 ASN  HD2-        5.50    (#    419:10  Unique         2.12, 3.22 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#   41 ASN  HB-          41 ASN  HD2-        4.50    (#    420:10  Unique         2.12, 3.22 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 660, 661,
 igr2= 665, 666,
 &end
#
#    0 AMB  10-2:421      0 AMB  10-1:421    4.50    (#    421:10  Double Ambig)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1149,1150, 310, 311,
 igr2=1164, 323,
 &end
#
#   47 TYR  HA           48 CYS  HN          3.50    (#    422:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 422, nxpk= 10, iat= 752, 771, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:423     48 CYS  HN          3.50    (#    423:10  Single Ambig)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1133,1134, 754, 755,
 &end
#
#   47 TYR  HB-          48 CYS  HN          5.50    (#    424:10  Unique         2.46, 3.63 A)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 754, 755,
 &end
#
#   83 VAL  HN           17 HIS  HN          4.50    (#    425:10  Unique         2.41, 3.76 A)
 &rst
  ixpk= 425, nxpk= 10, iat=1280, 273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HA           17 HIS  HN          2.80    (#    426:10  Unique         2.14, 2.26 A)
 &rst
  ixpk= 426, nxpk= 10, iat= 260, 273, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 GLU  HG+          17 HIS  HN          4.50    (#    427:10  Unique         2.57, 4.21 A)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 265, 266,
 &end
#
#   84 LYS  HA           17 HIS  HN          5.50    (#    428:10  Unique         3.54, 4.33 A)
 &rst
  ixpk= 428, nxpk= 10, iat=1298, 273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 GLU  HG-          17 HIS  HN          4.50    (#    429:10  Unique         2.57, 4.21 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 265, 266,
 &end
#
#   82 LYS  HB-          17 HIS  HN          5.50    (#    430:10  Unique         1.95, 4.26 A)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1262,1263,
 &end
#
#   30 LYS  HN           31 GLU  HN          3.50    (#    431:10  Unique         2.45, 2.64 A)
 &rst
  ixpk= 431, nxpk= 10, iat= 478, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ARG  HN           31 GLU  HN          2.80    (#    432:10  Unique         2.13, 2.31 A)
 &rst
  ixpk= 432, nxpk= 10, iat= 515, 500, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   28 GLU  HA           31 GLU  HN          5.50    (#    433:10  Unique         3.54, 3.73 A)
 &rst
  ixpk= 433, nxpk= 10, iat= 449, 500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 GLU  HA           31 GLU  HN          3.50    (#    434:10  Unique         2.93, 2.93 A)
 &rst
  ixpk= 434, nxpk= 10, iat= 502, 500, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 LYS  HA           31 GLU  HN          4.50    (#    435:10  Unique         3.44, 3.49 A)
 &rst
  ixpk= 435, nxpk= 10, iat= 480, 500, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:436     31 GLU  HN          4.50    (#    436:10  Single Ambig)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 507, 508, 507, 508,
 &end
#
#    0 AMB  10-2:437     31 GLU  HN          2.80    (#    437:10  Single Ambig)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 504, 505, 504, 505,
 &end
#
#   30 LYS  HB+          31 GLU  HN          3.50    (#    438:10  Unique         2.47, 3.30 A)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 482, 483,
 &end
#
#   16 GLU  HA           16 GLU  HN          3.50    (#    439:10  Unique         2.28, 2.59 A)
 &rst
  ixpk= 439, nxpk= 10, iat= 260, 258, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLN  HA           16 GLU  HN          4.50    (#    440:10  Unique         2.17, 3.01 A)
 &rst
  ixpk= 440, nxpk= 10, iat= 243, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:441     16 GLU  HN          3.50    (#    441:10  Single Ambig)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 245, 246, 245, 246,
 &end
#
#   16 GLU  HB-          16 GLU  HN          4.50    (#    442:10  Unique         2.98, 3.49 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 262, 263,
 &end
#
#   21 ALA  HN           20 GLY  HN          4.50    (#    443:10  Unique         1.94, 2.58 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 330, 323, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HA+          20 GLY  HN          4.50    (#    445:10  Unique         2.29, 2.64 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1, 323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 325, 326,
 &end
#
#   19 GLN  HA           20 GLY  HN          2.80    (#    446:10  Unique         2.15, 2.23 A)
 &rst
  ixpk= 446, nxpk= 10, iat= 308, 323, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 GLN  HN           11 GLU  HN          4.50    (#    447:10  Unique         2.16, 2.19 A)
 &rst
  ixpk= 447, nxpk= 10, iat= 186, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 GLU  HA           11 GLU  HN          3.50    (#    448:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 448, nxpk= 10, iat= 173, 171, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 VAL  HB           11 GLU  HN          4.50    (#    449:10  Unique         2.27, 2.28 A)
 &rst
  ixpk= 449, nxpk= 10, iat= 145, 171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:450     11 GLU  HN          3.50    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 178, 179, 178, 179,
 &end
#
#    0 AMB  10-2:451     11 GLU  HN          2.80    (#    451:10  Single Ambig)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 175, 176, 175, 176,
 &end
#
#    0 AMB  10-2:452     11 GLU  HN          3.50    (#    452:10  Single Ambig)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 164, 165, 396, 397,
 &end
#
#    9 VAL  MGX          11 GLU  HN          4.50    (#    453:10  Unique         2.81, 4.20 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    0 AMB  10-2:454     11 GLU  HN          4.50    (#    454:10  Single Ambig)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 158, 159, 158, 159,
 &end
#
#   30 LYS  HA           32 ARG  HN          4.50    (#    455:10  Unique         3.75, 3.88 A)
 &rst
  ixpk= 455, nxpk= 10, iat= 480, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 VAL  HA           32 ARG  HN          5.50    (#    457:10  Unique         2.89, 3.18 A)
 &rst
  ixpk= 457, nxpk= 10, iat= 464, 515, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:458     32 ARG  HN          3.50    (#    458:10  Single Ambig)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 504, 505, 504, 505,
 &end
#
#   33 ILE  HN           32 ARG  HN          3.50    (#    459:10  Unique         1.92, 2.24 A)
 &rst
  ixpk= 459, nxpk= 10, iat= 539, 515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 GLU  HN           32 ARG  HN          2.80    (#    460:10  Unique         2.13, 2.31 A)
 &rst
  ixpk= 460, nxpk= 10, iat= 500, 515, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 ARG  HA           32 ARG  HN          4.50    (#    461:10  Unique         2.90, 2.94 A)
 &rst
  ixpk= 461, nxpk= 10, iat= 517, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 GLU  HA           32 ARG  HN          4.50    (#    462:10  Unique         3.22, 3.24 A)
 &rst
  ixpk= 462, nxpk= 10, iat= 502, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:463     32 ARG  HN          3.50    (#    463:10  Single Ambig)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 519, 520, 522, 523,
 &end
#
#   32 ARG  HB-          32 ARG  HN          2.80    (#    464:10  Unique         2.39, 2.97 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 519, 520,
 &end
#
#    0 AMB  10-2:465     32 ARG  HN          5.50    (#    465:10  Single Ambig)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 379, 380, 381, 386, 387, 388,
 &end
#
#   37 VAL  MGY          37 VAL  HN          5.50    (#    466:10  Unique         2.01, 4.10 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   36 ALA  HN           37 VAL  HN          2.80    (#    467:10  Unique         1.89, 2.32 A)
 &rst
  ixpk= 467, nxpk= 10, iat= 582, 592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 ALA  HA           37 VAL  HN          4.50    (#    468:10  Unique         3.48, 3.52 A)
 &rst
  ixpk= 468, nxpk= 10, iat= 584, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:469     37 VAL  HN          3.50    (#    469:10  Single Ambig)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 594, 560,
 &end
#
#   33 ILE  HA           37 VAL  HN          5.50    (#    470:10  Unique         2.75, 3.34 A)
 &rst
  ixpk= 470, nxpk= 10, iat= 541, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HD-          37 VAL  HN          4.50    (#    471:10  Unique         2.94, 3.64 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 609, 610,
 &end
#
#   37 VAL  HB           37 VAL  HN          3.50    (#    472:10  Unique         2.61, 2.78 A)
 &rst
  ixpk= 472, nxpk= 10, iat= 596, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:473     37 VAL  HN          2.80    (#    473:10  Single Ambig)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 586, 587, 588, 549, 550,
 &end
#
#   33 ILE  QD1          37 VAL  HN          4.50    (#    474:10  Unique         3.18, 4.92 A)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 552, 553, 554,
 &end
#
#   37 VAL  MGX          37 VAL  HN          3.50    (#    475:10  Unique         2.01, 4.10 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   68 HIS  HN           67 THR  HN          3.50    (#    476:10  Unique         1.89, 2.56 A)
 &rst
  ixpk= 476, nxpk= 10, iat=1059,1045, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HA           67 THR  HN          2.80    (#    477:10  Unique         2.14, 2.32 A)
 &rst
  ixpk= 477, nxpk= 10, iat=1026,1045, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:478     67 THR  HN          3.50    (#    478:10  Single Ambig)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1047,1049,
 &end
#
#   66 TYR  HB+          67 THR  HN          5.50    (#    479:10  Unique         1.99, 3.58 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1028,1029,
 &end
#
#   67 THR  MG2          67 THR  HN          3.50    (#    480:10  Unique         1.95, 3.29 A)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1051,1052,1053,
 &end
#
#   28 GLU  HN           27 LYS  HN          3.50    (#    481:10  Unique         2.46, 2.67 A)
 &rst
  ixpk= 481, nxpk= 10, iat= 447, 425, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 LEU  HN           27 LYS  HN          4.50    (#    482:10  Unique         2.56, 2.72 A)
 &rst
  ixpk= 482, nxpk= 10, iat= 406, 425, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 LYS  HA           27 LYS  HN          3.50    (#    483:10  Unique         2.77, 2.80 A)
 &rst
  ixpk= 483, nxpk= 10, iat= 427, 425, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 LEU  HA           27 LYS  HN          4.50    (#    484:10  Unique         3.43, 3.50 A)
 &rst
  ixpk= 484, nxpk= 10, iat= 408, 425, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:485     27 LYS  HN          2.80    (#    485:10  Single Ambig)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 429, 430, 410, 411,
 &end
#
#    0 AMB  10-2:486     27 LYS  HN          4.50    (#    486:10  Single Ambig)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 399, 400, 413,
 &end
#
#    0 AMB  10-2:487     27 LYS  HN          3.50    (#    487:10  Single Ambig)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 432, 433, 432, 433,
 &end
#
#    0 AMB  10-2:488     27 LYS  HN          4.50    (#    488:10  Single Ambig)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 415, 416, 417, 419, 420, 421, 415, 416, 417, 419,
       420, 421,
 &end
#
#   40 LYS  HB+          67 THR  HN          5.50    (#    491:10  Unique         2.71, 4.24 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 638, 639,
 &end
#
#    0 AMB  10-2:493     32 ARG  HE          4.50    (#    493:10  Single Ambig)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 525, 526, 525, 526,
 &end
#
#    0 AMB  10-2:494     32 ARG  HE          4.50    (#    494:10  Single Ambig)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 522, 523, 519, 520,
 &end
#
#   32 ARG  HG-          32 ARG  HE          5.50    (#    495:10  Unique         2.09, 2.95 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 522, 523,
 &end
#
#    0 AMB  10-2:496     55 GLY  HN          3.50    (#    496:10  Single Ambig)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 867, 868, 808, 809,
 &end
#
#   55 GLY  HA-          55 GLY  HN          3.50    (#    497:10  Unique         2.29, 2.54 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 867, 868,
 &end
#
#   55 GLY  HN           71 ASN  HD2-        5.50    (#    498:10  Unique         2.37, 4.57 A)
 &rst
  ixpk= 498, nxpk= 10, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1116,1117,
 &end
#
#   71 ASN  HB+          71 ASN  HD2-        5.50    (#    499:10  Unique         2.16, 3.49 A)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#   55 GLY  HA-          71 ASN  HD2+        5.50    (#    500:10  Unique         2.91, 5.36 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 867, 868,
 igr2=1116,1117,
 &end
#
#   71 ASN  HB+          71 ASN  HD2+        4.50    (#    501:10  Unique         2.16, 3.49 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#   71 ASN  HB-          71 ASN  HD2+        4.50    (#    502:10  Unique         2.16, 3.49 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#   55 GLY  HA-          71 ASN  HD2-        5.50    (#    503:10  Unique         2.91, 5.36 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 867, 868,
 igr2=1116,1117,
 &end
#
#    0 AMB  10-2:504     71 ASN  HD2-        4.50    (#    504:10  Single Ambig)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1133,1134, 867, 868,
 igr2=1116,1117,
 &end
#
#    0 AMB  10-2:505     74 GLY  HN          4.50    (#    505:10  Single Ambig)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1140,1141, 808, 809,
 &end
#
#    0 AMB  10-2:506     74 GLY  HN          3.50    (#    506:10  Single Ambig)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1133,1134,1140,1141,
 &end
#
#    0 AMB  10-2:507     74 GLY  HN          2.80    (#    507:10  Single Ambig)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1133,1134, 808, 809,
 &end
#
#   54 SER  HB-          54 SER  HN          4.50    (#    508:10  Unique         2.13, 3.01 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859,
 &end
#
#   53 GLN  HN           54 SER  HN          4.50    (#    509:10  Unique         2.60, 2.75 A)
 &rst
  ixpk= 509, nxpk= 10, iat= 837, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:510     54 SER  HN          3.50    (#    510:10  Single Ambig)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 865, 872,
 &end
#
#   52 ARG  HA           54 SER  HN          5.50    (#    511:10  Unique         3.60, 4.06 A)
 &rst
  ixpk= 511, nxpk= 10, iat= 815, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:512     54 SER  HN          3.50    (#    512:10  Single Ambig)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 858, 859, 856,
 &end
#
#   56 GLN  HB-          54 SER  HN          4.50    (#    513:10  Unique         4.42, 5.35 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 876, 877,
 &end
#
#    0 AMB  10-2:514     54 SER  HN          5.50    (#    514:10  Single Ambig)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 817, 818, 817, 818,
 &end
#
#    7 VAL  MGX          54 SER  HN          5.50    (#    515:10  Unique         2.51, 5.18 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   15 GLN  HG+          15 GLN  HE2+        5.50    (#    516:10  Unique         2.12, 3.25 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 248, 249,
 igr2= 253, 254,
 &end
#
#   12 GLN  HG+          12 GLN  HE2+        3.50    (#    517:10  Unique         2.12, 3.29 A)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 193, 194,
 igr2= 198, 199,
 &end
#
#    9 VAL  MGX          12 GLN  HE2+        4.50    (#    518:10  Unique         3.39, 6.58 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 198, 199,
 &end
#
#    0 AMB  10-2:519     12 GLN  HE2-        4.50    (#    519:10  Single Ambig)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 248, 249, 193, 194,
 igr2= 198, 199,
 &end
#
#    8 ARG  HA            9 VAL  HN          2.80    (#    520:10  Unique         2.20, 2.31 A)
 &rst
  ixpk= 520, nxpk= 10, iat= 119, 141, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    9 VAL  HA            9 VAL  HN          4.50    (#    521:10  Unique         2.71, 2.73 A)
 &rst
  ixpk= 521, nxpk= 10, iat= 143, 141, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 VAL  HB            9 VAL  HN          5.50    (#    522:10  Unique         3.60, 3.60 A)
 &rst
  ixpk= 522, nxpk= 10, iat= 145, 141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:523      9 VAL  HN          3.50    (#    523:10  Single Ambig)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 121, 122, 190, 191,
 &end
#
#    0 AMB  10-2:524      9 VAL  HN          3.50    (#    524:10  Single Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 121, 122, 190, 191,
 &end
#
#    9 VAL  MGY           9 VAL  HN          3.50    (#    525:10  Unique         1.94, 3.05 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    9 VAL  MGX           9 VAL  HN          2.80    (#    526:10  Unique         1.94, 3.05 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   19 GLN  HG-          19 GLN  HE2+        4.50    (#    527:10  Unique         2.12, 3.25 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 313, 314,
 igr2= 318, 319,
 &end
#
#   26 LEU  MDX          53 GLN  HE2+        5.50    (#    528:10  Unique         3.65, 7.03 A)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 849, 850,
 &end
#
#   53 GLN  HG-          53 GLN  HE2-        5.50    (#    529:10  Unique         2.14, 3.41 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 844, 845,
 igr2= 849, 850,
 &end
#
#   53 GLN  HG+          53 GLN  HE2+        5.50    (#    530:10  Unique         2.14, 3.41 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 844, 845,
 igr2= 849, 850,
 &end
#
#    0 AMB  10-2:531      0 AMB  10-1:531    4.50    (#    531:10  Double Ambig)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 844, 845, 876, 877,
 igr2= 849, 850, 884, 885,
 &end
#
#    0 AMB  10-2:532      0 AMB  10-1:532    3.50    (#    532:10  Double Ambig)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 879, 880, 879, 880,
 igr2= 884, 885, 884, 885,
 &end
#
#    0 AMB  10-2:533     56 GLN  HE2-        4.50    (#    533:10  Single Ambig)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 879, 880, 879, 880,
 igr2= 884, 885,
 &end
#
#   34 ALA  HN           35 THR  HN          3.50    (#    534:10  Unique         2.26, 2.52 A)
 &rst
  ixpk= 534, nxpk= 10, iat= 558, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 THR  HA           35 THR  HN          3.50    (#    535:10  Unique         2.76, 2.92 A)
 &rst
  ixpk= 535, nxpk= 10, iat= 570, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ALA  MB           35 THR  HN          3.50    (#    536:10  Unique         2.52, 3.86 A)
 &rst
  ixpk= 536, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 562, 563, 564,
 &end
#
#   35 THR  HG1          35 THR  HN          4.50    (#    537:10  Unique         2.17, 3.02 A)
 &rst
  ixpk= 537, nxpk= 10, iat= 578, 568, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 ASN  HA           23 ASN  HD2+        4.50    (#    538:10  Unique         1.95, 3.00 A)
 &rst
  ixpk= 538, nxpk= 10, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 368, 369,
 &end
#
#    0 AMB  10-2:539      0 AMB  10-1:539    4.50    (#    539:10  Double Ambig)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 363, 364, 396, 397,
 igr2= 368, 369, 368, 369,
 &end
#
#   23 ASN  HA           23 ASN  HD2-        3.50    (#    540:10  Unique         1.95, 3.00 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 368, 369,
 &end
#
#   13 TYR  HB+          23 ASN  HD2-        5.50    (#    541:10  Unique         1.95, 3.25 A)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 368, 369,
 &end
#
#    0 AMB  10-2:542     50 ALA  HN          5.50    (#    542:10  Single Ambig)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 796, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1133,1134, 808, 809,
 &end
#
#    0 AMB  10-2:543     50 ALA  HN          4.50    (#    543:10  Single Ambig)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 796, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1145, 791, 792,
 &end
#
#   66 TYR  HN           65 GLY  HN          3.50    (#    544:10  Unique         1.89, 2.20 A)
 &rst
  ixpk= 544, nxpk= 10, iat=1024,1017, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:545     65 GLY  HN          5.50    (#    545:10  Single Ambig)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 976,1026,
 &end
#
#   65 GLY  HA+          65 GLY  HN          3.50    (#    546:10  Unique         2.45, 2.76 A)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1019,1020,
 &end
#
#    0 AMB  10-2:547     65 GLY  HN          5.50    (#    547:10  Single Ambig)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 987, 957,1047,
 &end
#
#   65 GLY  HA-          65 GLY  HN          2.80    (#    548:10  Unique         2.45, 2.76 A)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1019,1020,
 &end
#
#   79 ALA  MB           79 ALA  HN          3.50    (#    549:10  Unique         2.09, 3.05 A)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1,1217, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1221,1222,1223,
 &end
#
#   78 ILE  QG2          79 ALA  HN          4.50    (#    550:10  Unique         1.97, 3.33 A)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1,1217, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1204,1205,1206,
 &end
#
#   72 ALA  HN           73 GLY  HN          3.50    (#    551:10  Unique         2.06, 2.68 A)
 &rst
  ixpk= 551, nxpk= 10, iat=1121,1131, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 ASN  HA           73 GLY  HN          5.50    (#    552:10  Unique         3.66, 4.22 A)
 &rst
  ixpk= 552, nxpk= 10, iat=1109,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   72 ALA  HA           73 GLY  HN          5.50    (#    553:10  Unique         3.51, 3.57 A)
 &rst
  ixpk= 553, nxpk= 10, iat=1123,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 GLY  HA+          73 GLY  HN          3.50    (#    554:10  Unique         2.29, 2.68 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1133,1134,
 &end
#
#    0 AMB  10-2:555     73 GLY  HN          3.50    (#    555:10  Single Ambig)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 754, 755,1133,1134,
 &end
#
#   72 ALA  MB           73 GLY  HN          5.50    (#    556:10  Unique         2.02, 3.10 A)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1125,1126,1127,
 &end
#
#   79 ALA  HA           79 ALA  HN          4.50    (#    557:10  Unique         2.83, 2.91 A)
 &rst
  ixpk= 557, nxpk= 10, iat=1219,1217, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ILE  HA           79 ALA  HN          3.50    (#    558:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 558, nxpk= 10, iat=1200,1217, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 VAL  HN           19 GLN  HN          5.50    (#    559:10  Unique         2.94, 3.77 A)
 &rst
  ixpk= 559, nxpk= 10, iat=1280, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 GLN  HG-          19 GLN  HN          5.50    (#    560:10  Unique         2.09, 4.17 A)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 313, 314,
 &end
#
#    0 AMB  10-2:561     19 GLN  HN          5.50    (#    561:10  Single Ambig)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1265,1266,1231,1232,
 &end
#
#   83 VAL  MGX          19 GLN  HN          5.50    (#    562:10  Unique         2.24, 4.51 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  10-2:563      4 TRP  HE1         5.50    (#    563:10  Single Ambig)
 &rst
  ixpk= 563, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  18,  19,  18,  19,
 &end
#
#    0 AMB  10-2:564      4 TRP  HE1         5.50    (#    564:10  Single Ambig)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 722, 723, 719, 720,
 &end
#
#    0 AMB  10-2:565      4 TRP  HE1         5.50    (#    565:10  Single Ambig)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 716, 717, 716, 717,
 &end
#
#   46 VAL  MGX          72 ALA  HN          5.50    (#    567:10  Unique         1.95, 4.55 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1,1121, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
#   68 HIS  HB+          44 VAL  HN          5.50    (#    569:10  Unique         4.52, 5.48 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1063,1064,
 &end
#
#    0 AMB  10-2:570     44 VAL  HN          5.50    (#    570:10  Single Ambig)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1063,1064, 674, 675,
 &end
#
#   44 VAL  MGX          44 VAL  HN          5.50    (#    571:10  Unique         2.59, 4.17 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  10-2:572     45 LYS  HN          5.50    (#    572:10  Single Ambig)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 702, 703, 704, 706, 707, 708, 722, 723,
 &end
#
#    0 AMB  10-2:574      6 ASP  HN          5.50    (#    574:10  Single Ambig)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  80,  81,  80,  81,
 &end
#
#    0 AMB  10-2:575     68 HIS  HN          5.50    (#    575:10  Single Ambig)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1026, 976,
 &end
#
#   67 THR  MG2          68 HIS  HN          5.50    (#    576:10  Unique         2.16, 4.65 A)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1,1059, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1051,1052,1053,
 &end
#
#   44 VAL  HN           70 GLU  HN          5.50    (#    577:10  Unique         2.83, 3.53 A)
 &rst
  ixpk= 577, nxpk= 10, iat= 696,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 VAL  HN           70 GLU  HN          5.50    (#    578:10  Unique         3.80, 4.61 A)
 &rst
  ixpk= 578, nxpk= 10, iat= 734,1092, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:579     70 GLU  HN          5.50    (#    579:10  Single Ambig)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 719, 720, 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  10-2:580     70 GLU  HN          5.50    (#    580:10  Single Ambig)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 716, 717, 716, 717, 964, 965, 966, 968, 969, 970,
       964, 965, 966, 968, 969, 970,
 &end
#
#    4 TRP  HB-           4 TRP  HN          3.50    (#    581:10  Unique         2.21, 2.92 A)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1,  46, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#    3 HIS  HB-           4 TRP  HN          5.50    (#    582:10  Unique         2.62, 3.41 A)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1,  46, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  33,  34,
 &end
#
#    6 ASP  HN           24 ILE  HN          5.50    (#    583:10  Unique         3.76, 4.44 A)
 &rst
  ixpk= 583, nxpk= 10, iat=  89, 373, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  HG1+         24 ILE  HN          5.50    (#    584:10  Unique         2.53, 3.58 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 383, 384,
 &end
#
#   23 ASN  HB-          24 ILE  HN          5.50    (#    585:10  Unique         4.19, 4.47 A)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1, 373, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 363, 364,
 &end
#
#   22 ILE  HG1-         23 ASN  HN          5.50    (#    586:10  Unique         1.94, 2.62 A)
 &rst
  ixpk= 586, nxpk= 10, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 350, 351,
 &end
#
#   34 ALA  HN           36 ALA  HN          5.50    (#    587:10  Unique         3.80, 4.15 A)
 &rst
  ixpk= 587, nxpk= 10, iat= 558, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:588     36 ALA  HN          5.50    (#    588:10  Single Ambig)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 522, 523, 519, 520, 596,
 &end
#
#    0 AMB  10-2:589     36 ALA  HN          5.50    (#    589:10  Single Ambig)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 386, 387, 388, 379, 380, 381,
 &end
#
#   37 VAL  MGX          36 ALA  HN          5.50    (#    590:10  Unique         3.84, 6.14 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 598, 599, 600, 602, 603, 604,
 &end
#
#   39 ASP  HB+          40 LYS  HN          5.50    (#    591:10  Unique         2.23, 3.74 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 626, 627,
 &end
#
#    0 AMB  10-2:592     40 LYS  HN          5.50    (#    592:10  Single Ambig)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 647, 648, 647, 648,
 &end
#
#   39 ASP  HB-          40 LYS  HN          5.50    (#    593:10  Unique         2.23, 3.74 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 626, 627,
 &end
#
#    0 AMB  10-2:594      5 ILE  HN          5.50    (#    594:10  Single Ambig)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 712,  89,
 &end
#
#    0 AMB  10-2:595      5 ILE  HN          5.50    (#    595:10  Single Ambig)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 750, 734,
 &end
#
#    4 TRP  HE3           5 ILE  HN          5.50    (#    596:10  Unique         3.13, 3.85 A)
 &rst
  ixpk= 596, nxpk= 10, iat=  65,  70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 TRP  HB+           5 ILE  HN          5.50    (#    597:10  Unique         3.35, 4.16 A)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#    0 AMB  10-2:598      5 ILE  HN          5.50    (#    598:10  Single Ambig)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 740, 741, 742, 744, 745, 746, 107, 108, 109, 111,
       112, 113,
 &end
#
#    0 AMB  10-2:599      5 ILE  HN          5.50    (#    599:10  Single Ambig)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 716, 717, 716, 717,
 &end
#
#   74 GLY  HN           75 LEU  HN          5.50    (#    601:10  Unique         2.82, 4.02 A)
 &rst
  ixpk= 601, nxpk= 10, iat=1138,1145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  HN           75 LEU  HN          5.50    (#    602:10  Unique         5.13, 5.44 A)
 &rst
  ixpk= 602, nxpk= 10, iat=1198,1145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  QD1          75 LEU  HN          5.50    (#    603:10  Unique         4.07, 5.94 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#    0 AMB  10-2:604     75 LEU  HN          5.50    (#    604:10  Single Ambig)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1154,1155,1156,1158,1159,1160,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   75 LEU  HG           75 LEU  HN          5.50    (#    605:10  Unique         2.35, 4.18 A)
 &rst
  ixpk= 605, nxpk= 10, iat=1152,1145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 ARG  HA           34 ALA  HN          5.50    (#    606:10  Unique         3.42, 3.90 A)
 &rst
  ixpk= 606, nxpk= 10, iat= 517, 558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 MET  ME           34 ALA  HN          5.50    (#    607:10  Unique         2.89, 5.16 A)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1011,1012,1013,
 &end
#
#    0 AMB  10-2:608     34 ALA  HN          5.50    (#    608:10  Single Ambig)
 &rst
  ixpk= 608, nxpk= 10, iat=  -1, 558, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 543, 522, 523, 519, 520,
 &end
#
#    0 AMB  10-2:609     26 LEU  HN          5.50    (#    609:10  Single Ambig)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 396, 397, 454, 455,
 &end
#
#    7 VAL  MGX          26 LEU  HN          5.50    (#    610:10  Unique         2.08, 4.84 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   77 ASP  HA           78 ILE  HN          5.50    (#    612:10  Unique         3.44, 3.53 A)
 &rst
  ixpk= 612, nxpk= 10, iat=1188,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   76 LYS  HA           78 ILE  HN          5.50    (#    613:10  Unique         3.72, 4.37 A)
 &rst
  ixpk= 613, nxpk= 10, iat=1166,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 LEU  HA           78 ILE  HN          5.50    (#    614:10  Unique         3.39, 4.05 A)
 &rst
  ixpk= 614, nxpk= 10, iat=1147,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ASP  HB+          78 ILE  HN          5.50    (#    615:10  Unique         2.38, 3.12 A)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1190,1191,
 &end
#
#   77 ASP  HB-          78 ILE  HN          5.50    (#    616:10  Unique         2.38, 3.12 A)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1190,1191,
 &end
#
#   78 ILE  QD1          78 ILE  HN          5.50    (#    617:10  Unique         1.97, 3.92 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#   20 GLY  HA+          21 ALA  HN          5.50    (#    618:10  Unique         2.41, 3.09 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 325, 326,
 &end
#
#    4 TRP  HB+          21 ALA  HN          5.50    (#    619:10  Unique         3.77, 5.10 A)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#    0 AMB  10-2:620     21 ALA  HN          5.50    (#    620:10  Single Ambig)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 294, 310, 311, 350, 351,
 &end
#
#    0 AMB  10-2:621     22 ILE  HN          5.50    (#    621:10  Single Ambig)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 386, 387, 388,  83,  84,  85,
 &end
#
#    0 AMB  10-2:622     82 LYS  HN          3.50    (#    622:10  Single Ambig)
 &rst
  ixpk= 622, nxpk= 10, iat=  -1,1258, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1268,1269,1262,1263,
 &end
#
#   55 GLY  HA-          56 GLN  HN          5.50    (#    623:10  Unique         2.70, 3.19 A)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 867, 868,
 &end
#
#    8 ARG  HE            8 ARG  HN          5.50    (#    624:10  Unique         3.12, 4.26 A)
 &rst
  ixpk= 624, nxpk= 10, iat= 130, 117, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:625      8 ARG  HN          5.50    (#    625:10  Single Ambig)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1, 117, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 775, 776,  91,
 &end
#
#   36 ALA  MB           33 ILE  HN          5.50    (#    626:10  Unique         4.03, 5.87 A)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 586, 587, 588,
 &end
#
#    0 AMB  10-2:627     33 ILE  HN          5.50    (#    627:10  Single Ambig)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 586, 587, 588, 549, 550,
 &end
#
#   29 VAL  MGX          33 ILE  HN          5.50    (#    628:10  Unique         2.77, 5.37 A)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  10-2:629     69 VAL  HN          5.50    (#    629:10  Single Ambig)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1,1076, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1092,1107,
 &end
#
#   52 ARG  HG+          52 ARG  HN          5.50    (#    631:10  Unique         2.41, 3.28 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 820, 821,
 &end
#
#    0 AMB  10-2:634     29 VAL  HN          5.50    (#    634:10  Single Ambig)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 485, 486, 413, 519, 520,
 &end
#
#    0 AMB  10-2:635     29 VAL  HN          5.50    (#    635:10  Single Ambig)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 427, 375,
 &end
#
#   44 VAL  MGY           3 HIS  HN          5.50    (#    636:10  Unique         4.27, 6.33 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  10-2:637      3 HIS  HN          5.50    (#    637:10  Single Ambig)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  21,  22,  21,  22,
 &end
#
#    3 HIS  HB+           3 HIS  HN          5.50    (#    638:10  Unique         2.61, 3.27 A)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1,  29, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  33,  34,
 &end
#
#   43 THR  HB            3 HIS  HN          5.50    (#    639:10  Unique         4.20, 4.73 A)
 &rst
  ixpk= 639, nxpk= 10, iat= 686,  29, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 VAL  MGY          18 VAL  HN          5.50    (#    640:10  Unique         4.39, 7.28 A)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  10-2:642     18 VAL  HN          5.50    (#    642:10  Single Ambig)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 286,  65,
 &end
#
#    0 AMB  10-2:644     71 ASN  HN          5.50    (#    644:10  Single Ambig)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1099,1100,1099,1100,
 &end
#
#    0 AMB  10-2:645     71 ASN  HN          5.50    (#    645:10  Single Ambig)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088, 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  10-2:646     66 TYR  HN          5.50    (#    646:10  Single Ambig)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#    0 AMB  10-2:647     66 TYR  HN          5.50    (#    647:10  Single Ambig)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 644, 645, 959, 960,
 &end
#
#    0 AMB  10-2:648     66 TYR  HN          5.50    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 957, 978, 979, 978, 979,1047,
 &end
#
#   66 TYR  HE           66 TYR  HN          5.50    (#    649:10  Unique         4.05, 5.09 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1,1024, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1034,1039,
 &end
#
#    0 AMB  10-2:650     60 ILE  HN          5.50    (#    650:10  Single Ambig)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 962, 485, 486, 413,
 &end
#
#    0 AMB  10-2:651     13 TYR  HN          5.50    (#    651:10  Single Ambig)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 248, 249,  93,  94, 164, 165,
 &end
#
#    9 VAL  MGX          13 TYR  HN          5.50    (#    652:10  Unique         3.25, 5.89 A)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   12 GLN  HA           13 TYR  HN          5.50    (#    653:10  Unique         3.35, 3.40 A)
 &rst
  ixpk= 653, nxpk= 10, iat= 188, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 ALA  HN           80 MET  HN          5.50    (#    654:10  Unique         1.91, 2.70 A)
 &rst
  ixpk= 654, nxpk= 10, iat=1217,1227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:655     80 MET  HN          5.50    (#    655:10  Single Ambig)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1234,1235,1268,1269,1202,
 &end
#
#    0 AMB  10-2:656     80 MET  HN          5.50    (#    656:10  Single Ambig)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302,
 &end
#
#   49 ASN  HA           49 ASN  HD2-        5.50    (#    657:10  Unique         1.95, 2.83 A)
 &rst
  ixpk= 657, nxpk= 10, iat= 784,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 791, 792,
 &end
#
#   74 GLY  HA+          49 ASN  HD2-        5.50    (#    658:10  Unique         4.62, 6.82 A)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1140,1141,
 igr2= 791, 792,
 &end
#
#    0 AMB  10-2:659     59 GLU  HN          5.50    (#    659:10  Single Ambig)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
 igr1= 415, 416, 417, 419, 420, 421, 949, 950, 951,1082,
      1083,1084,1086,1087,1088,1082,1083,1084,1086,1087,
      1088,
 &end
#
#    0 AMB  10-2:660     59 GLU  HN          5.50    (#    660:10  Single Ambig)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 906, 907, 906, 907, 959, 960,
 &end
#
#    0 AMB  10-2:661     59 GLU  HN          5.50    (#    661:10  Single Ambig)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 946, 947, 959, 960,
 &end
#
#    0 AMB  10-2:662     59 GLU  HN          5.50    (#    662:10  Single Ambig)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1, 921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 955, 889,
 &end
#
#   13 TYR  HN           14 GLN  HN          4.50    (#    667:10  Unique         2.65, 2.83 A)
 &rst
  ixpk= 667, nxpk= 10, iat= 203, 224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:668     14 GLN  HN          5.50    (#    668:10  Single Ambig)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 211, 220, 236, 237,
 &end
#
#   10 PRO  HA           14 GLN  HN          5.50    (#    669:10  Unique         4.36, 5.13 A)
 &rst
  ixpk= 669, nxpk= 10, iat= 167, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HA           39 ASP  HN          5.50    (#    670:10  Unique         3.39, 3.44 A)
 &rst
  ixpk= 670, nxpk= 10, iat= 618, 622, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:671     58 LYS  HN          5.50    (#    671:10  Single Ambig)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 946, 947, 959, 960, 738, 410, 411,
 &end
#
#   58 LYS  HD+          58 LYS  HN          5.50    (#    672:10  Unique         3.79, 4.82 A)
 &rst
  ixpk= 672, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 909, 910,
 &end
#
#   55 GLY  HA+          58 LYS  HN          5.50    (#    673:10  Unique         2.98, 3.85 A)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 867, 868,
 &end
#
#   32 ARG  HN           30 LYS  HN          5.50    (#    674:10  Unique         3.65, 3.83 A)
 &rst
  ixpk= 674, nxpk= 10, iat= 515, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 TYR  HA           47 TYR  HN          5.50    (#    675:10  Unique         2.87, 2.91 A)
 &rst
  ixpk= 675, nxpk= 10, iat= 752, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 ASP  HA           47 TYR  HN          5.50    (#    676:10  Unique         1.92, 2.65 A)
 &rst
  ixpk= 676, nxpk= 10, iat=  91, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 TYR  HB-          47 TYR  HN          5.50    (#    677:10  Unique         2.56, 3.51 A)
 &rst
  ixpk= 677, nxpk= 10, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 754, 755,
 &end
#
#   46 VAL  HB           47 TYR  HN          4.50    (#    678:10  Unique         2.91, 3.22 A)
 &rst
  ixpk= 678, nxpk= 10, iat= 738, 750, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  MGX          47 TYR  HN          5.50    (#    679:10  Unique         2.30, 4.95 A)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   14 GLN  HN           12 GLN  HN          5.50    (#    680:10  Unique         4.15, 4.42 A)
 &rst
  ixpk= 680, nxpk= 10, iat= 224, 186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:681      0 AMB  10-1:681    5.50    (#    681:10  Double Ambig)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 167, 119,
 igr2= 186, 101,
 &end
#
#    0 AMB  10-2:682      7 VAL  HN          4.50    (#    682:10  Single Ambig)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1, 101, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  91, 775, 776,
 &end
#
#   12 GLN  HG+          12 GLN  HN          4.50    (#    683:10  Unique         2.48, 3.44 A)
 &rst
  ixpk= 683, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 193, 194,
 &end
#
#    9 VAL  MGY          12 GLN  HN          5.50    (#    684:10  Unique         1.94, 4.22 A)
 &rst
  ixpk= 684, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#    7 VAL  HA            7 VAL  HN          5.50    (#    685:10  Unique         2.84, 2.89 A)
 &rst
  ixpk= 685, nxpk= 10, iat= 103, 101, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:686     53 GLN  HN          5.50    (#    686:10  Single Ambig)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 820, 821, 413,
 &end
#
#   64 MET  HN           62 SER  HN          5.50    (#    687:10  Unique         3.73, 4.19 A)
 &rst
  ixpk= 687, nxpk= 10, iat=1000, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 LYS  HA           62 SER  HN          5.50    (#    688:10  Unique         3.76, 4.42 A)
 &rst
  ixpk= 688, nxpk= 10, iat= 901, 974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:689     62 SER  HN          5.50    (#    689:10  Single Ambig)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 989, 990, 989, 990, 903, 904, 925, 926,
 &end
#
#    0 AMB  10-2:690     62 SER  HN          5.50    (#    690:10  Single Ambig)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 962, 903, 904, 909, 910,
 &end
#
#    0 AMB  10-2:691     62 SER  HN          5.50    (#    691:10  Single Ambig)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1, 974, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 964, 965, 966, 968, 969, 970, 964, 965, 966, 968,
       969, 970,
 &end
#
#    0 AMB  10-2:692     46 VAL  HN          5.50    (#    692:10  Single Ambig)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1092,1107,
 &end
#
#    0 AMB  10-2:693     46 VAL  HN          5.50    (#    693:10  Single Ambig)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 722, 723, 719, 720, 702, 703, 704, 706, 707, 708,
      
 &end
#
#    0 AMB  10-2:694     46 VAL  HN          3.50    (#    694:10  Single Ambig)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 734, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 740, 741, 742, 744, 745, 746,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   46 VAL  HB           46 VAL  HN          4.50    (#    695:10  Unique         3.65, 3.71 A)
 &rst
  ixpk= 695, nxpk= 10, iat= 738, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:696     15 GLN  HN          3.50    (#    696:10  Single Ambig)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 228, 229, 228, 229,
 &end
#
#   26 LEU  HA           28 GLU  HN          5.50    (#    697:10  Unique         3.54, 3.80 A)
 &rst
  ixpk= 697, nxpk= 10, iat= 408, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 VAL  HA           28 GLU  HN          5.50    (#    698:10  Unique         4.24, 4.34 A)
 &rst
  ixpk= 698, nxpk= 10, iat= 464, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ILE  QG2          28 GLU  HN          5.50    (#    699:10  Unique         4.19, 5.80 A)
 &rst
  ixpk= 699, nxpk= 10, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 379, 380, 381,
 &end
#
#    0 AMB  10-2:700     43 THR  HN          5.50    (#    700:10  Single Ambig)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  18,  19,  18,  19,
 &end
#
#    3 HIS  HD2          43 THR  HN          5.50    (#    702:10  Unique         5.17, 5.46 A)
 &rst
  ixpk= 702, nxpk= 10, iat=  42, 682, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:703      0 AMB  10-1:703    5.50    (#    703:10  Double Ambig)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1138, 974,
 igr2=1186,1000,
 &end
#
#    0 AMB  10-2:704      0 AMB  10-1:704    5.50    (#    704:10  Double Ambig)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1147, 938,
 igr2=1186,1000,
 &end
#
#    0 AMB  10-2:705     77 ASP  HN          5.50    (#    705:10  Single Ambig)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1208,1209,1152,
 &end
#
#   78 ILE  QD1          77 ASP  HN          5.50    (#    706:10  Unique         2.74, 5.51 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1211,1212,1213,
 &end
#
#   75 LEU  HN           76 LYS  HN          5.50    (#    707:10  Unique         2.01, 2.99 A)
 &rst
  ixpk= 707, nxpk= 10, iat=1145,1164, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 GLY  HA-          20 GLY  HN          4.50    (#    708:10  Unique         2.29, 2.64 A)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1, 323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 325, 326,
 &end
#
#   50 ALA  HN           48 CYS  HN          5.50    (#    709:10  Unique         3.79, 5.32 A)
 &rst
  ixpk= 709, nxpk= 10, iat= 796, 771, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 GLY  HA+          48 CYS  HN          5.50    (#    710:10  Unique         1.97, 3.79 A)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1, 771, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1140,1141,
 &end
#
#   41 ASN  HN           41 ASN  HD2+        5.50    (#    711:10  Unique         3.13, 5.04 A)
 &rst
  ixpk= 711, nxpk= 10, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 665, 666,
 &end
#
#   83 VAL  MGX          17 HIS  HN          5.50    (#    712:10  Unique         2.80, 5.94 A)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#    0 AMB  10-2:713     17 HIS  HN          5.50    (#    713:10  Single Ambig)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1286,1287,1288,1290,1291,1292,1154,1155,1156,1158,
      1159,1160,
 &end
#
#   82 LYS  HB+          17 HIS  HN          5.50    (#    714:10  Unique         1.95, 4.26 A)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1262,1263,
 &end
#
#    0 AMB  10-2:715     17 HIS  HN          5.50    (#    715:10  Single Ambig)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 262, 263, 245, 246, 245, 246,
 &end
#
#   17 HIS  HB-          17 HIS  HN          5.50    (#    716:10  Unique         2.48, 3.53 A)
 &rst
  ixpk= 716, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 277, 278,
 &end
#
#   17 HIS  HB+          17 HIS  HN          5.50    (#    717:10  Unique         2.48, 3.53 A)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 277, 278,
 &end
#
#   16 GLU  HN           17 HIS  HN          5.50    (#    719:10  Unique         2.02, 3.46 A)
 &rst
  ixpk= 719, nxpk= 10, iat= 258, 273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 HIS  HN           16 GLU  HN          5.50    (#    720:10  Unique         2.02, 3.46 A)
 &rst
  ixpk= 720, nxpk= 10, iat= 273, 258, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 VAL  HA           31 GLU  HN          5.50    (#    721:10  Unique         3.81, 3.99 A)
 &rst
  ixpk= 721, nxpk= 10, iat= 464, 500, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 VAL  MGY          31 GLU  HN          5.50    (#    722:10  Unique         4.46, 5.77 A)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 468, 469, 470, 472, 473, 474,
 &end
#
#    0 AMB  10-2:723     31 GLU  HN          5.50    (#    723:10  Single Ambig)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1, 500, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 485, 486, 562, 563, 564,
 &end
#
#   19 GLN  HE2+         20 GLY  HN          5.50    (#    724:10  Unique         2.05, 5.05 A)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1, 323, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 318, 319,
 &end
#
#    0 AMB  10-2:725     20 GLY  HN          5.50    (#    725:10  Single Ambig)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1, 323, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 313, 314, 313, 314,
 &end
#
#   83 VAL  MGX          20 GLY  HN          5.50    (#    726:10  Unique         4.14, 6.47 A)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1, 323, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1286,1287,1288,1290,1291,1292,
 &end
#
#   10 PRO  HA           11 GLU  HN          5.50    (#    727:10  Unique         3.37, 3.39 A)
 &rst
  ixpk= 727, nxpk= 10, iat= 167, 171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 VAL  HA           11 GLU  HN          5.50    (#    728:10  Unique         3.91, 3.92 A)
 &rst
  ixpk= 728, nxpk= 10, iat= 143, 171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 VAL  MGY          11 GLU  HN          5.50    (#    729:10  Unique         2.81, 4.20 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 147, 148, 149, 151, 152, 153,
 &end
#
#   64 MET  ME           32 ARG  HN          5.50    (#    730:10  Unique         4.73, 5.85 A)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1011,1012,1013,
 &end
#
#   38 PRO  HA           37 VAL  HN          5.50    (#    731:10  Unique         4.32, 4.58 A)
 &rst
  ixpk= 731, nxpk= 10, iat= 618, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HD+          37 VAL  HN          5.50    (#    732:10  Unique         2.94, 3.64 A)
 &rst
  ixpk= 732, nxpk= 10, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   68 HIS  HD2          67 THR  HN          5.50    (#    733:10  Unique         2.20, 2.81 A)
 &rst
  ixpk= 733, nxpk= 10, iat=1072,1045, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 TYR  HB-          67 THR  HN          5.50    (#    736:10  Unique         1.99, 3.58 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1028,1029,
 &end
#
#   40 LYS  HB-          67 THR  HN          5.50    (#    737:10  Unique         2.71, 4.24 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 638, 639,
 &end
#
#    0 AMB  10-2:738     67 THR  HN          5.50    (#    738:10  Single Ambig)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1,1045, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1082,1083,1084,1086,1087,1088,1082,1083,1084,1086,
      1087,1088,
 &end
#
#   29 VAL  HN           27 LYS  HN          5.50    (#    739:10  Unique         3.93, 4.32 A)
 &rst
  ixpk= 739, nxpk= 10, iat= 462, 425, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 PRO  HB+          27 LYS  HN          5.50    (#    740:10  Unique         2.21, 3.29 A)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1, 425, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 399, 400,
 &end
#
#   71 ASN  HD2+         55 GLY  HN          5.50    (#    742:10  Unique         2.37, 4.57 A)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1116,1117,
 &end
#
#   52 ARG  HA           55 GLY  HN          5.50    (#    744:10  Unique         3.27, 3.79 A)
 &rst
  ixpk= 744, nxpk= 10, iat= 815, 865, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 VAL  HA           71 ASN  HD2-        5.50    (#    745:10  Unique         4.75, 6.27 A)
 &rst
  ixpk= 745, nxpk= 10, iat= 736,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1116,1117,
 &end
#
#   51 GLY  HA+          71 ASN  HD2-        5.50    (#    746:10  Unique         3.76, 5.53 A)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 808, 809,
 igr2=1116,1117,
 &end
#
#    0 AMB  10-2:747      0 AMB  10-1:747    5.50    (#    747:10  Double Ambig)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1133,1134, 867, 868,
 igr2=1116,1117,1116,1117,
 &end
#
#   71 ASN  HB-          71 ASN  HD2-        5.50    (#    748:10  Unique         2.16, 3.49 A)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1111,1112,
 igr2=1116,1117,
 &end
#
#   55 GLY  HN           71 ASN  HD2+        5.50    (#    749:10  Unique         2.37, 4.57 A)
 &rst
  ixpk= 749, nxpk= 10, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1116,1117,
 &end
#
#   77 ASP  HB-          74 GLY  HN          5.50    (#    750:10  Unique         2.01, 4.01 A)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1,1138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1190,1191,
 &end
#
#   53 GLN  HE2-         54 SER  HN          4.50    (#    751:10  Unique         4.51, 5.11 A)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 849, 850,
 &end
#
#    0 AMB  10-2:753     54 SER  HN          5.50    (#    753:10  Single Ambig)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 839, 808, 809,1133,1134,
 &end
#
#   15 GLN  HG+          15 GLN  HE2-        5.50    (#    754:10  Unique         2.12, 3.25 A)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 248, 249,
 igr2= 253, 254,
 &end
#
#   15 GLN  HG-          15 GLN  HE2+        5.50    (#    755:10  Unique         2.12, 3.25 A)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 248, 249,
 igr2= 253, 254,
 &end
#
#   15 GLN  HG-          15 GLN  HE2-        5.50    (#    756:10  Unique         2.12, 3.25 A)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 248, 249,
 igr2= 253, 254,
 &end
#
#    9 VAL  MGX          12 GLN  HE2-        5.50    (#    758:10  Unique         3.39, 6.58 A)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 147, 148, 149, 151, 152, 153,
 igr2= 198, 199,
 &end
#
#    0 AMB  10-2:759      0 AMB  10-1:759    4.50    (#    759:10  Double Ambig)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 248, 249, 193, 194,
 igr2= 198, 199, 198, 199,
 &end
#
#   12 GLN  HG+          12 GLN  HE2-        4.50    (#    760:10  Unique         2.12, 3.29 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 193, 194,
 igr2= 198, 199,
 &end
#
#    0 AMB  10-2:761      9 VAL  HN          5.50    (#    761:10  Single Ambig)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1, 141, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 402, 158, 159, 158, 159,
 &end
#
#    0 AMB  10-2:762     14 GLN  HE2-        5.50    (#    762:10  Single Ambig)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 231, 232, 231, 232,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:763      0 AMB  10-1:763    5.50    (#    763:10  Double Ambig)
 &rst
  ixpk= 763, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 231, 232, 231, 232,
 igr2= 236, 237, 236, 237,
 &end
#
#   19 GLN  HG-          19 GLN  HE2-        5.50    (#    764:10  Unique         2.12, 3.25 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 313, 314,
 igr2= 318, 319,
 &end
#
#   53 GLN  HG+          53 GLN  HE2-        5.50    (#    765:10  Unique         2.14, 3.41 A)
 &rst
  ixpk= 765, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 844, 845,
 igr2= 849, 850,
 &end
#
#   26 LEU  MDX          53 GLN  HE2-        5.50    (#    766:10  Unique         3.65, 7.03 A)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 849, 850,
 &end
#
#   26 LEU  MDX          56 GLN  HE2-        5.50    (#    767:10  Unique         2.25, 5.62 A)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 415, 416, 417, 419, 420, 421,
 igr2= 884, 885,
 &end
#
#    0 AMB  10-2:768      8 ARG  HE          5.50    (#    768:10  Single Ambig)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1, 130, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 124, 125, 124, 125,
 &end
#
#    8 ARG  HB-           8 ARG  HE          5.50    (#    769:10  Unique         1.96, 2.90 A)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1, 130, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 121, 122,
 &end
#
#    0 AMB  10-2:770      8 ARG  HE          5.50    (#    770:10  Single Ambig)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1, 130, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 101, 186, 286,
 &end
#
#   37 VAL  HN           35 THR  HN          5.50    (#    772:10  Unique         2.67, 3.57 A)
 &rst
  ixpk= 772, nxpk= 10, iat= 592, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 ARG  HA           35 THR  HN          5.50    (#    773:10  Unique         3.17, 3.69 A)
 &rst
  ixpk= 773, nxpk= 10, iat= 517, 568, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 THR  HB           35 THR  HN          3.50    (#    774:10  Unique         2.70, 2.95 A)
 &rst
  ixpk= 774, nxpk= 10, iat= 572, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 ILE  QG2          35 THR  HN          5.50    (#    775:10  Unique         4.45, 5.35 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 545, 546, 547,
 &end
#
#    0 AMB  10-2:777      0 AMB  10-1:777    5.50    (#    777:10  Double Ambig)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 158, 159, 158, 159,
 igr2= 368, 369, 368, 369,
 &end
#
#   13 TYR  HB+          23 ASN  HD2+        5.50    (#    778:10  Unique         1.95, 3.25 A)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 368, 369,
 &end
#
#   13 TYR  HB-          23 ASN  HD2+        5.50    (#    779:10  Unique         1.95, 3.25 A)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 207, 208,
 igr2= 368, 369,
 &end
#
#    0 AMB  10-2:780     23 ASN  HD2-        5.50    (#    780:10  Single Ambig)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 363, 364, 396, 397,
 igr2= 368, 369,
 &end
#
#   23 ASN  HB-          23 ASN  HD2-        5.50    (#    781:10  Unique         2.23, 3.45 A)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 368, 369,
 &end
#
#   23 ASN  HB-          23 ASN  HD2+        5.50    (#    782:10  Unique         2.23, 3.45 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 363, 364,
 igr2= 368, 369,
 &end
#
#   74 GLY  HA+          50 ALA  HN          5.50    (#    783:10  Unique         2.50, 4.95 A)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1, 796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1140,1141,
 &end
#
#   64 MET  HB-          65 GLY  HN          5.50    (#    784:10  Unique         2.63, 3.30 A)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1004,1005,
 &end
#
#   64 MET  HB+          65 GLY  HN          5.50    (#    785:10  Unique         2.63, 3.30 A)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1004,1005,
 &end
#
#   64 MET  HA           65 GLY  HN          4.50    (#    786:10  Unique         3.45, 3.49 A)
 &rst
  ixpk= 786, nxpk= 10, iat=1002,1017, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HD           65 GLY  HN          5.50    (#    787:10  Unique         2.16, 5.02 A)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1032,1041,
 &end
#
#   80 MET  HN           79 ALA  HN          5.50    (#    788:10  Unique         1.91, 2.70 A)
 &rst
  ixpk= 788, nxpk= 10, iat=1227,1217, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  HG1+         79 ALA  HN          5.50    (#    790:10  Unique         4.24, 4.69 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1,1217, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1208,1209,
 &end
#
#   47 TYR  HA           73 GLY  HN          5.50    (#    792:10  Unique         1.95, 2.53 A)
 &rst
  ixpk= 792, nxpk= 10, iat= 752,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   54 SER  HB+          73 GLY  HN          5.50    (#    793:10  Unique         2.55, 4.65 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 858, 859,
 &end
#
#   84 LYS  HA           84 LYS  HN          4.50    (#    794:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 794, nxpk= 10, iat=1298,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:795     53 GLN  HN          3.50    (#    795:10  Single Ambig)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 817, 818, 817, 818,
 &end
#
#   75 LEU  HB-          50 ALA  HN          5.50    (#    796:10  Unique         3.52, 5.57 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1, 796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1149,1150,
 &end
#
#    0 AMB  10-2:797     32 ARG  HE          5.50    (#    797:10  Single Ambig)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 386, 387, 388, 379, 380, 381,
 &end
#
#   32 ARG  HA           32 ARG  HE          5.50    (#    798:10  Unique         2.39, 4.26 A)
 &rst
  ixpk= 798, nxpk= 10, iat= 517, 528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1   4.671  -1.329  -3.617
    2    H2   ALA   1           H2       ALA   1   5.051   0.181  -3.180
    3    H3   ALA   1           H3       ALA   1   5.281  -1.072  -2.090
    4    HA   ALA   1           HA       ALA   1   2.827  -1.426  -2.177
    5    HB1  ALA   1           HB1      ALA   1   3.543  -0.139  -0.259
    6    HB2  ALA   1           HB2      ALA   1   3.832   1.304  -1.229
    7    HB3  ALA   1           HB3      ALA   1   2.177   0.739  -0.954
    8    H    GLU   2           H        GLU   2   0.821   0.494  -2.640
    9    HA   GLU   2           HA       GLU   2   1.323   1.740  -5.086
   10    HB2  GLU   2           HB2      GLU   2  -0.070   0.491  -6.606
   11    HB3  GLU   2           HB3      GLU   2   0.805  -0.752  -5.749
   12    HG2  GLU   2           HG2      GLU   2  -1.372  -0.744  -4.155
   13    HG3  GLU   2           HG3      GLU   2  -2.121   0.017  -5.567
   14    H    HIS   3           H        HIS   3  -0.609   3.009  -5.723
   15    HA   HIS   3           HA       HIS   3  -2.794   3.145  -3.715
   16    HB2  HIS   3           HB2      HIS   3  -1.103   5.459  -4.758
   17    HB3  HIS   3           HB3      HIS   3  -2.708   5.692  -4.077
   18    HD1  HIS   3           HD1      HIS   3  -2.958   5.016  -1.373
   19    HD2  HIS   3           HD2      HIS   3   0.906   5.222  -3.012
   20    HE1  HIS   3           HE1      HIS   3  -1.342   5.129   0.586
   21    H    TRP   4           H        TRP   4  -4.812   3.587  -4.684
   22    HA   TRP   4           HA       TRP   4  -4.933   3.710  -7.669
   23    HB2  TRP   4           HB2      TRP   4  -6.948   2.921  -5.517
   24    HB3  TRP   4           HB3      TRP   4  -7.369   3.215  -7.194
   25    HD1  TRP   4           HD1      TRP   4  -5.119   0.830  -5.153
   26    HE1  TRP   4           HE1      TRP   4  -4.771  -1.332  -6.461
   27    HE3  TRP   4           HE3      TRP   4  -7.816   2.002  -9.326
   28    HZ2  TRP   4           HZ2      TRP   4  -5.780  -2.511  -8.863
   29    HZ3  TRP   4           HZ3      TRP   4  -8.125   0.346 -11.111
   30    HH2  TRP   4           HH2      TRP   4  -7.126  -1.938 -10.911
   31    H    ILE   5           H        ILE   5  -5.182   5.728  -8.456
   32    HA   ILE   5           HA       ILE   5  -6.504   7.820  -6.758
   33    HB   ILE   5           HB       ILE   5  -3.951   7.958  -8.394
   34   HG12  ILE   5          HG12      ILE   5  -4.205   9.114  -5.633
   35   HG13  ILE   5          HG13      ILE   5  -4.254   7.357  -5.721
   36   HG21  ILE   5          HG21      ILE   5  -5.325   9.980  -8.908
   37   HG22  ILE   5          HG22      ILE   5  -5.524  10.293  -7.190
   38   HG23  ILE   5          HG23      ILE   5  -3.909  10.395  -7.939
   39   HD11  ILE   5          HD11      ILE   5  -2.137   7.283  -6.810
   40   HD12  ILE   5          HD12      ILE   5  -2.026   9.072  -6.857
   41   HD13  ILE   5          HD13      ILE   5  -1.992   8.202  -5.305
   42    H    ASP   6           H        ASP   6  -8.355   8.243  -7.651
   43    HA   ASP   6           HA       ASP   6  -8.946   7.869 -10.518
   44    HB2  ASP   6           HB2      ASP   6 -10.657   7.474  -8.750
   45    HB3  ASP   6           HB3      ASP   6 -10.450   9.119  -8.186
   46    H    VAL   7           H        VAL   7  -8.561   9.551 -11.975
   47    HA   VAL   7           HA       VAL   7  -7.837  12.240 -10.869
   48    HB   VAL   7           HB       VAL   7  -6.372  12.473 -12.863
   49   HG11  VAL   7          HG11      VAL   7  -5.327  11.852 -10.727
   50   HG12  VAL   7          HG12      VAL   7  -5.571  10.139 -11.098
   51   HG13  VAL   7          HG13      VAL   7  -4.486  11.140 -12.095
   52   HG21  VAL   7          HG21      VAL   7  -6.711   9.469 -13.255
   53   HG22  VAL   7          HG22      VAL   7  -7.406  10.713 -14.315
   54   HG23  VAL   7          HG23      VAL   7  -5.649  10.583 -14.127
   55    H    ARG   8           H        ARG   8 -10.593  11.100 -11.962
   56    HA   ARG   8           HA       ARG   8 -10.904  12.832 -14.358
   57    HB2  ARG   8           HB2      ARG   8 -13.129  12.147 -14.498
   58    HB3  ARG   8           HB3      ARG   8 -12.292  10.695 -13.968
   59    HG2  ARG   8           HG2      ARG   8 -12.973  11.231 -11.593
   60    HG3  ARG   8           HG3      ARG   8 -13.977  12.483 -12.211
   61    HD2  ARG   8           HD2      ARG   8 -15.465  10.779 -12.372
   62    HD3  ARG   8           HD3      ARG   8 -14.700  10.480 -13.928
   63    HE   ARG   8           HE       ARG   8 -13.205   9.104 -11.940
   64   HH11  ARG   8          HH11      ARG   8 -16.710   9.319 -12.520
   65   HH12  ARG   8          HH12      ARG   8 -16.994   7.976 -11.479
   66   HH21  ARG   8          HH21      ARG   8 -13.582   7.383 -10.765
   67   HH22  ARG   8          HH22      ARG   8 -15.250   6.843 -10.506
   68    H    VAL   9           H        VAL   9 -12.784  14.552 -14.102
   69    HA   VAL   9           HA       VAL   9 -11.868  16.485 -12.260
   70    HB   VAL   9           HB       VAL   9 -13.837  17.750 -13.061
   71   HG11  VAL   9          HG11      VAL   9 -11.764  17.705 -14.397
   72   HG12  VAL   9          HG12      VAL   9 -12.329  16.267 -15.283
   73   HG13  VAL   9          HG13      VAL   9 -13.195  17.805 -15.435
   74   HG21  VAL   9          HG21      VAL   9 -14.601  15.206 -14.569
   75   HG22  VAL   9          HG22      VAL   9 -15.484  15.965 -13.220
   76   HG23  VAL   9          HG23      VAL   9 -15.328  16.809 -14.767
   77    HA   PRO  10           HA       PRO  10 -13.407  15.272  -8.480
   78    HB2  PRO  10           HB2      PRO  10 -14.307  17.558  -7.172
   79    HB3  PRO  10           HB3      PRO  10 -12.596  17.121  -7.441
   80    HG2  PRO  10           HG2      PRO  10 -14.333  19.014  -9.038
   81    HG3  PRO  10           HG3      PRO  10 -12.628  19.229  -8.530
   82    HD2  PRO  10           HD2      PRO  10 -13.327  18.436 -11.039
   83    HD3  PRO  10           HD3      PRO  10 -11.851  17.823 -10.253
   84    H    GLU  11           H        GLU  11 -15.851  17.309 -10.158
   85    HA   GLU  11           HA       GLU  11 -18.105  16.407  -8.647
   86    HB2  GLU  11           HB2      GLU  11 -17.790  17.626 -11.420
   87    HB3  GLU  11           HB3      GLU  11 -19.362  17.226 -10.705
   88    HG2  GLU  11           HG2      GLU  11 -18.741  18.602  -8.676
   89    HG3  GLU  11           HG3      GLU  11 -17.288  19.133  -9.518
   90    H    GLN  12           H        GLN  12 -16.255  14.854 -11.228
   91    HA   GLN  12           HA       GLN  12 -18.459  12.956 -11.745
   92    HB2  GLN  12           HB2      GLN  12 -15.745  13.347 -13.009
   93    HB3  GLN  12           HB3      GLN  12 -16.848  11.987 -13.328
   94    HG2  GLN  12           HG2      GLN  12 -18.625  13.978 -13.634
   95    HG3  GLN  12           HG3      GLN  12 -17.203  14.904 -14.024
   96   HE21  GLN  12          HE22      GLN  12 -18.763  14.874 -16.098
   97   HE22  GLN  12          HE21      GLN  12 -18.361  13.577 -17.235
   98    H    TYR  13           H        TYR  13 -15.330  13.072 -10.035
   99    HA   TYR  13           HA       TYR  13 -15.044  10.321  -9.421
  100    HB2  TYR  13           HB2      TYR  13 -13.247  11.570  -8.738
  101    HB3  TYR  13           HB3      TYR  13 -14.195  12.969  -8.348
  102    HD1  TYR  13           HD1      TYR  13 -13.523   9.484  -7.047
  103    HD2  TYR  13           HD2      TYR  13 -14.465  13.603  -6.184
  104    HE1  TYR  13           HE1      TYR  13 -13.235   9.048  -4.633
  105    HE2  TYR  13           HE2      TYR  13 -14.195  13.166  -3.749
  106    HH   TYR  13           HH       TYR  13 -13.233   9.814  -2.604
  107    H    GLN  14           H        GLN  14 -16.963  12.923  -7.816
  108    HA   GLN  14           HA       GLN  14 -17.924  11.288  -5.726
  109    HB2  GLN  14           HB2      GLN  14 -18.999  13.847  -6.999
  110    HB3  GLN  14           HB3      GLN  14 -19.767  13.091  -5.597
  111    HG2  GLN  14           HG2      GLN  14 -17.767  13.284  -4.267
  112    HG3  GLN  14           HG3      GLN  14 -16.822  13.866  -5.640
  113   HE21  GLN  14          HE22      GLN  14 -17.036  16.125  -6.345
  114   HE22  GLN  14          HE21      GLN  14 -18.021  17.253  -5.403
  115    H    GLN  15           H        GLN  15 -18.902  11.196  -9.078
  116    HA   GLN  15           HA       GLN  15 -21.678  10.507  -8.490
  117    HB2  GLN  15           HB2      GLN  15 -20.085   9.708 -10.946
  118    HB3  GLN  15           HB3      GLN  15 -21.832   9.815 -10.787
  119    HG2  GLN  15           HG2      GLN  15 -19.924  12.189 -10.593
  120    HG3  GLN  15           HG3      GLN  15 -20.785  11.749 -12.047
  121   HE21  GLN  15          HE22      GLN  15 -20.885  14.270 -10.050
  122   HE22  GLN  15          HE21      GLN  15 -22.647  14.450  -9.935
  123    H    GLU  16           H        GLU  16 -18.607   8.661  -9.107
  124    HA   GLU  16           HA       GLU  16 -19.202   6.465  -7.460
  125    HB2  GLU  16           HB2      GLU  16 -20.897   5.617  -8.696
  126    HB3  GLU  16           HB3      GLU  16 -20.458   6.486 -10.157
  127    HG2  GLU  16           HG2      GLU  16 -18.756   4.800 -10.679
  128    HG3  GLU  16           HG3      GLU  16 -19.183   3.898  -9.235
  129    H    HIS  17           H        HIS  17 -17.266   5.297  -7.233
  130    HA   HIS  17           HA       HIS  17 -15.197   5.490  -9.281
  131    HB2  HIS  17           HB2      HIS  17 -13.557   6.565  -7.973
  132    HB3  HIS  17           HB3      HIS  17 -14.970   7.598  -7.850
  133    HD1  HIS  17           HD1      HIS  17 -16.483   6.616  -5.344
  134    HD2  HIS  17           HD2      HIS  17 -12.306   6.473  -5.753
  135    HE1  HIS  17           HE1      HIS  17 -15.522   6.600  -2.980
  136    H    VAL  18           H        VAL  18 -13.232   4.166  -8.601
  137    HA   VAL  18           HA       VAL  18 -14.167   1.585  -7.696
  138    HB   VAL  18           HB       VAL  18 -11.332   2.582  -8.146
  139   HG11  VAL  18          HG11      VAL  18 -11.329   0.619  -6.706
  140   HG12  VAL  18          HG12      VAL  18 -12.401  -0.235  -7.824
  141   HG13  VAL  18          HG13      VAL  18 -10.736   0.197  -8.313
  142   HG21  VAL  18          HG21      VAL  18 -13.182   0.985  -9.983
  143   HG22  VAL  18          HG22      VAL  18 -12.729   2.690 -10.217
  144   HG23  VAL  18          HG23      VAL  18 -11.487   1.452 -10.307
  145    H    GLN  19           H        GLN  19 -14.045   0.780  -5.807
  146    HA   GLN  19           HA       GLN  19 -14.157   2.319  -3.458
  147    HB2  GLN  19           HB2      GLN  19 -15.323   0.169  -3.974
  148    HB3  GLN  19           HB3      GLN  19 -13.777  -0.645  -4.113
  149    HG2  GLN  19           HG2      GLN  19 -13.391  -0.325  -1.658
  150    HG3  GLN  19           HG3      GLN  19 -14.977   0.444  -1.533
  151   HE21  GLN  19          HE22      GLN  19 -15.870  -1.282  -0.100
  152   HE22  GLN  19          HE21      GLN  19 -16.248  -2.828  -0.833
  153    H    GLY  20           H        GLY  20 -12.664   2.761  -1.904
  154    HA2  GLY  20           HA2      GLY  20 -10.775   2.547  -0.593
  155    HA3  GLY  20           HA3      GLY  20 -10.279   1.134  -1.543
  156    H    ALA  21           H        ALA  21 -11.020   3.917  -3.474
  157    HA   ALA  21           HA       ALA  21  -8.135   4.433  -3.946
  158    HB1  ALA  21           HB1      ALA  21  -9.502   3.839  -5.918
  159    HB2  ALA  21           HB2      ALA  21 -10.639   5.141  -5.529
  160    HB3  ALA  21           HB3      ALA  21  -8.996   5.544  -6.030
  161    H    ILE  22           H        ILE  22  -7.794   6.791  -4.542
  162    HA   ILE  22           HA       ILE  22  -9.308   8.698  -2.820
  163    HB   ILE  22           HB       ILE  22  -7.027   8.272  -1.948
  164   HG12  ILE  22          HG12      ILE  22  -7.229  11.110  -3.033
  165   HG13  ILE  22          HG13      ILE  22  -8.149  10.495  -1.654
  166   HG21  ILE  22          HG21      ILE  22  -5.910   7.730  -4.080
  167   HG22  ILE  22          HG22      ILE  22  -6.056   9.428  -4.579
  168   HG23  ILE  22          HG23      ILE  22  -5.022   8.959  -3.207
  169   HD11  ILE  22          HD11      ILE  22  -5.985   9.976  -0.490
  170   HD12  ILE  22          HD12      ILE  22  -5.115  10.731  -1.848
  171   HD13  ILE  22          HD13      ILE  22  -6.206  11.698  -0.844
  172    H    ASN  23           H        ASN  23  -9.127  11.003  -3.928
  173    HA   ASN  23           HA       ASN  23  -9.115  10.729  -6.888
  174    HB2  ASN  23           HB2      ASN  23 -11.333  10.960  -6.527
  175    HB3  ASN  23           HB3      ASN  23 -11.167  12.072  -5.144
  176   HD21  ASN  23          HD22      ASN  23 -10.101  11.955  -8.608
  177   HD22  ASN  23          HD21      ASN  23 -10.733  13.499  -9.053
  178    H    ILE  24           H        ILE  24  -7.750  12.056  -7.830
  179    HA   ILE  24           HA       ILE  24  -7.109  14.645  -6.592
  180    HB   ILE  24           HB       ILE  24  -4.904  12.804  -7.618
  181   HG12  ILE  24          HG12      ILE  24  -5.664  13.502  -4.743
  182   HG13  ILE  24          HG13      ILE  24  -5.690  11.903  -5.480
  183   HG21  ILE  24          HG21      ILE  24  -4.762  15.280  -7.952
  184   HG22  ILE  24          HG22      ILE  24  -4.942  15.523  -6.253
  185   HG23  ILE  24          HG23      ILE  24  -3.490  14.680  -6.853
  186   HD11  ILE  24          HD11      ILE  24  -3.206  12.019  -5.783
  187   HD12  ILE  24          HD12      ILE  24  -3.219  13.528  -4.826
  188   HD13  ILE  24          HD13      ILE  24  -3.801  12.006  -4.115
  189    HA   PRO  25           HA       PRO  25  -8.787  14.531 -10.878
  190    HB2  PRO  25           HB2      PRO  25  -8.837  17.502 -10.329
  191    HB3  PRO  25           HB3      PRO  25 -10.078  16.484 -11.108
  192    HG2  PRO  25           HG2      PRO  25 -10.345  17.295  -8.519
  193    HG3  PRO  25           HG3      PRO  25 -10.807  15.629  -9.003
  194    HD2  PRO  25           HD2      PRO  25  -8.283  16.576  -7.642
  195    HD3  PRO  25           HD3      PRO  25  -9.258  15.121  -7.314
  196    H    LEU  26           H        LEU  26  -7.768  15.012 -12.904
  197    HA   LEU  26           HA       LEU  26  -5.098  15.447 -13.153
  198    HB2  LEU  26           HB2      LEU  26  -6.515  14.734 -14.979
  199    HB3  LEU  26           HB3      LEU  26  -7.368  16.276 -15.002
  200    HG   LEU  26           HG       LEU  26  -5.267  17.418 -15.744
  201   HD11  LEU  26          HD11      LEU  26  -3.571  15.824 -14.845
  202   HD12  LEU  26          HD12      LEU  26  -4.181  14.567 -15.948
  203   HD13  LEU  26          HD13      LEU  26  -3.388  16.024 -16.589
  204   HD21  LEU  26          HD21      LEU  26  -6.171  15.092 -17.481
  205   HD22  LEU  26          HD22      LEU  26  -6.979  16.662 -17.358
  206   HD23  LEU  26          HD23      LEU  26  -5.364  16.544 -18.074
  207    H    LYS  27           H        LYS  27  -7.507  17.976 -12.845
  208    HA   LYS  27           HA       LYS  27  -5.905  20.262 -13.452
  209    HB2  LYS  27           HB2      LYS  27  -8.411  19.831 -11.749
  210    HB3  LYS  27           HB3      LYS  27  -7.710  21.428 -12.068
  211    HG2  LYS  27           HG2      LYS  27  -7.742  20.858 -14.551
  212    HG3  LYS  27           HG3      LYS  27  -8.750  19.469 -14.185
  213    HD2  LYS  27           HD2      LYS  27 -10.557  20.836 -14.235
  214    HD3  LYS  27           HD3      LYS  27  -9.946  21.692 -12.821
  215    HE2  LYS  27           HE2      LYS  27  -8.936  23.409 -14.128
  216    HE3  LYS  27           HE3      LYS  27  -8.672  22.351 -15.481
  217    HZ1  LYS  27           HZ1      LYS  27 -10.994  22.407 -16.061
  218    HZ2  LYS  27           HZ2      LYS  27 -11.382  23.317 -14.754
  219    HZ3  LYS  27           HZ3      LYS  27 -10.508  23.958 -15.980
  220    H    GLU  28           H        GLU  28  -6.088  18.357 -10.573
  221    HA   GLU  28           HA       GLU  28  -4.948  20.496  -8.849
  222    HB2  GLU  28           HB2      GLU  28  -6.417  17.865  -8.320
  223    HB3  GLU  28           HB3      GLU  28  -5.948  18.996  -7.068
  224    HG2  GLU  28           HG2      GLU  28  -7.895  19.762  -9.316
  225    HG3  GLU  28           HG3      GLU  28  -8.414  18.924  -7.867
  226    H    VAL  29           H        VAL  29  -4.389  17.424 -10.410
  227    HA   VAL  29           HA       VAL  29  -2.999  16.048  -8.530
  228    HB   VAL  29           HB       VAL  29  -3.856  15.492 -10.988
  229   HG11  VAL  29          HG11      VAL  29  -2.063  16.658 -12.174
  230   HG12  VAL  29          HG12      VAL  29  -0.849  15.588 -11.421
  231   HG13  VAL  29          HG13      VAL  29  -2.092  14.912 -12.484
  232   HG21  VAL  29          HG21      VAL  29  -1.701  13.838  -9.648
  233   HG22  VAL  29          HG22      VAL  29  -3.442  13.781  -9.286
  234   HG23  VAL  29          HG23      VAL  29  -2.851  13.293 -10.872
  235    H    LYS  30           H        LYS  30  -1.620  18.525 -10.610
  236    HA   LYS  30           HA       LYS  30   1.135  18.075 -10.102
  237    HB2  LYS  30           HB2      LYS  30  -0.587  20.530 -10.721
  238    HB3  LYS  30           HB3      LYS  30   1.141  20.702 -10.431
  239    HG2  LYS  30           HG2      LYS  30   1.672  19.089 -12.207
  240    HG3  LYS  30           HG3      LYS  30  -0.062  18.879 -12.566
  241    HD2  LYS  30           HD2      LYS  30  -0.281  21.177 -13.222
  242    HD3  LYS  30           HD3      LYS  30   1.312  21.581 -12.573
  243    HE2  LYS  30           HE2      LYS  30   2.417  20.078 -14.227
  244    HE3  LYS  30           HE3      LYS  30   0.870  19.650 -14.934
  245    HZ1  LYS  30           HZ1      LYS  30   0.556  22.001 -15.487
  246    HZ2  LYS  30           HZ2      LYS  30   1.990  22.378 -14.777
  247    HZ3  LYS  30           HZ3      LYS  30   1.963  21.497 -16.169
  248    H    GLU  31           H        GLU  31  -1.315  19.660  -8.100
  249    HA   GLU  31           HA       GLU  31   0.707  21.069  -6.503
  250    HB2  GLU  31           HB2      GLU  31  -2.343  21.014  -6.539
  251    HB3  GLU  31           HB3      GLU  31  -1.376  22.022  -5.472
  252    HG2  GLU  31           HG2      GLU  31  -0.490  22.318  -8.281
  253    HG3  GLU  31           HG3      GLU  31  -2.193  22.630  -8.164
  254    H    ARG  32           H        ARG  32  -0.618  17.975  -6.556
  255    HA   ARG  32           HA       ARG  32  -0.690  17.725  -3.552
  256    HB2  ARG  32           HB2      ARG  32  -2.771  18.353  -5.080
  257    HB3  ARG  32           HB3      ARG  32  -2.715  16.653  -5.553
  258    HG2  ARG  32           HG2      ARG  32  -2.989  16.055  -3.106
  259    HG3  ARG  32           HG3      ARG  32  -3.056  17.811  -2.755
  260    HD2  ARG  32           HD2      ARG  32  -4.793  17.822  -4.784
  261    HD3  ARG  32           HD3      ARG  32  -4.958  16.111  -4.399
  262    HE   ARG  32           HE       ARG  32  -5.352  17.508  -2.001
  263   HH11  ARG  32          HH11      ARG  32  -6.660  17.983  -5.218
  264   HH12  ARG  32          HH12      ARG  32  -8.216  18.483  -4.742
  265   HH21  ARG  32          HH21      ARG  32  -7.608  18.058  -1.279
  266   HH22  ARG  32          HH22      ARG  32  -8.816  18.441  -2.475
  267    H    ILE  33           H        ILE  33  -0.206  16.007  -6.638
  268    HA   ILE  33           HA       ILE  33  -0.449  13.432  -5.572
  269    HB   ILE  33           HB       ILE  33  -0.300  13.942  -7.977
  270   HG12  ILE  33          HG12      ILE  33   1.185  12.035  -8.597
  271   HG13  ILE  33          HG13      ILE  33   1.837  12.013  -6.971
  272   HG21  ILE  33          HG21      ILE  33   1.514  15.683  -7.922
  273   HG22  ILE  33          HG22      ILE  33   2.691  14.408  -7.564
  274   HG23  ILE  33          HG23      ILE  33   1.823  14.419  -9.097
  275   HD11  ILE  33          HD11      ILE  33  -0.430  11.398  -6.101
  276   HD12  ILE  33          HD12      ILE  33  -1.080  11.520  -7.754
  277   HD13  ILE  33          HD13      ILE  33   0.122  10.278  -7.346
  278    H    ALA  34           H        ALA  34   2.202  15.792  -5.445
  279    HA   ALA  34           HA       ALA  34   4.217  14.158  -4.358
  280    HB1  ALA  34           HB1      ALA  34   4.616  16.441  -5.234
  281    HB2  ALA  34           HB2      ALA  34   3.664  17.126  -3.890
  282    HB3  ALA  34           HB3      ALA  34   5.191  16.286  -3.565
  283    H    THR  35           H        THR  35   1.316  15.498  -2.808
  284    HA   THR  35           HA       THR  35   2.354  15.022  -0.117
  285    HB   THR  35           HB       THR  35  -0.533  15.657  -0.726
  286    HG1  THR  35           HG1      THR  35   0.192  17.951  -0.859
  287   HG21  THR  35          HG21      THR  35   0.195  15.444   1.607
  288   HG22  THR  35          HG22      THR  35   1.473  16.641   1.358
  289   HG23  THR  35          HG23      THR  35  -0.238  17.128   1.285
  290    H    ALA  36           H        ALA  36   0.021  13.613  -2.436
  291    HA   ALA  36           HA       ALA  36  -1.011  11.629  -0.601
  292    HB1  ALA  36           HB1      ALA  36  -2.301  12.494  -2.487
  293    HB2  ALA  36           HB2      ALA  36  -1.104  11.855  -3.642
  294    HB3  ALA  36           HB3      ALA  36  -2.076  10.739  -2.661
  295    H    VAL  37           H        VAL  37   1.621  11.715  -2.972
  296    HA   VAL  37           HA       VAL  37   2.496   8.981  -2.261
  297    HB   VAL  37           HB       VAL  37   2.347  10.060  -5.108
  298   HG11  VAL  37          HG11      VAL  37   4.114   8.386  -4.580
  299   HG12  VAL  37          HG12      VAL  37   2.894   7.301  -3.899
  300   HG13  VAL  37          HG13      VAL  37   2.895   7.688  -5.624
  301   HG21  VAL  37          HG21      VAL  37   0.450   8.095  -3.754
  302   HG22  VAL  37          HG22      VAL  37   0.026   9.686  -4.430
  303   HG23  VAL  37          HG23      VAL  37   0.566   8.388  -5.504
  304    HA   PRO  38           HA       PRO  38   5.589  12.422  -1.918
  305    HB2  PRO  38           HB2      PRO  38   6.814  11.659   0.430
  306    HB3  PRO  38           HB3      PRO  38   5.294  12.595   0.363
  307    HG2  PRO  38           HG2      PRO  38   5.647   9.615   0.766
  308    HG3  PRO  38           HG3      PRO  38   4.563  10.730   1.648
  309    HD2  PRO  38           HD2      PRO  38   3.696   9.145  -0.399
  310    HD3  PRO  38           HD3      PRO  38   3.014  10.773  -0.122
  311    H    ASP  39           H        ASP  39   5.939   9.001  -2.257
  312    HA   ASP  39           HA       ASP  39   8.845   9.224  -2.866
  313    HB2  ASP  39           HB2      ASP  39   8.543   7.686  -0.945
  314    HB3  ASP  39           HB3      ASP  39   7.329   6.782  -1.861
  315    H    LYS  40           H        LYS  40   9.250   8.873  -4.867
  316    HA   LYS  40           HA       LYS  40   7.137   8.735  -6.831
  317    HB2  LYS  40           HB2      LYS  40  10.082   8.299  -7.448
  318    HB3  LYS  40           HB3      LYS  40   8.872   9.156  -8.394
  319    HG2  LYS  40           HG2      LYS  40   8.890  10.930  -6.522
  320    HG3  LYS  40           HG3      LYS  40  10.304  10.074  -5.858
  321    HD2  LYS  40           HD2      LYS  40  11.624  11.157  -7.368
  322    HD3  LYS  40           HD3      LYS  40  10.731  10.375  -8.671
  323    HE2  LYS  40           HE2      LYS  40   8.985  12.169  -8.577
  324    HE3  LYS  40           HE3      LYS  40   9.812  12.909  -7.223
  325    HZ1  LYS  40           HZ1      LYS  40  11.761  13.300  -8.765
  326    HZ2  LYS  40           HZ2      LYS  40  10.910  12.644  -9.992
  327    HZ3  LYS  40           HZ3      LYS  40  10.404  14.025  -9.399
  328    H    ASN  41           H        ASN  41   9.258   6.477  -5.337
  329    HA   ASN  41           HA       ASN  41   9.411   4.642  -7.584
  330    HB2  ASN  41           HB2      ASN  41  11.268   4.746  -6.089
  331    HB3  ASN  41           HB3      ASN  41  10.248   4.571  -4.672
  332   HD21  ASN  41          HD22      ASN  41   9.725   2.581  -3.924
  333   HD22  ASN  41          HD21      ASN  41  10.168   1.062  -4.711
  334    H    ASP  42           H        ASP  42   7.003   5.508  -5.251
  335    HA   ASP  42           HA       ASP  42   5.865   2.903  -4.873
  336    HB2  ASP  42           HB2      ASP  42   5.450   4.804  -3.307
  337    HB3  ASP  42           HB3      ASP  42   4.494   5.600  -4.569
  338    H    THR  43           H        THR  43   3.941   2.027  -5.876
  339    HA   THR  43           HA       THR  43   3.820   2.676  -8.710
  340    HB   THR  43           HB       THR  43   2.194   0.609  -7.204
  341    HG1  THR  43           HG1      THR  43   3.722  -0.786  -7.354
  342   HG21  THR  43          HG21      THR  43   1.588   1.050  -9.599
  343   HG22  THR  43          HG22      THR  43   3.268   0.696 -10.061
  344   HG23  THR  43          HG23      THR  43   2.249  -0.582  -9.362
  345    H    VAL  44           H        VAL  44   2.419   4.089  -9.561
  346    HA   VAL  44           HA       VAL  44   0.069   4.919  -7.915
  347    HB   VAL  44           HB       VAL  44   1.340   6.458 -10.203
  348   HG11  VAL  44          HG11      VAL  44  -1.031   6.985  -9.435
  349   HG12  VAL  44          HG12      VAL  44  -0.338   7.296  -7.827
  350   HG13  VAL  44          HG13      VAL  44   0.112   8.325  -9.198
  351   HG21  VAL  44          HG21      VAL  44   1.881   6.671  -7.219
  352   HG22  VAL  44          HG22      VAL  44   3.088   6.275  -8.453
  353   HG23  VAL  44          HG23      VAL  44   2.380   7.900  -8.412
  354    H    LYS  45           H        LYS  45  -1.782   3.880  -8.578
  355    HA   LYS  45           HA       LYS  45  -2.023   3.100 -11.449
  356    HB2  LYS  45           HB2      LYS  45  -3.665   2.288  -9.004
  357    HB3  LYS  45           HB3      LYS  45  -3.932   1.755 -10.670
  358    HG2  LYS  45           HG2      LYS  45  -1.212   1.264 -10.359
  359    HG3  LYS  45           HG3      LYS  45  -1.805   0.981  -8.725
  360    HD2  LYS  45           HD2      LYS  45  -3.421  -0.683  -9.593
  361    HD3  LYS  45           HD3      LYS  45  -2.913  -0.337 -11.272
  362    HE2  LYS  45           HE2      LYS  45  -0.724  -1.173 -10.924
  363    HE3  LYS  45           HE3      LYS  45  -0.862  -0.999  -9.168
  364    HZ1  LYS  45           HZ1      LYS  45  -2.317  -2.783  -9.008
  365    HZ2  LYS  45           HZ2      LYS  45  -2.391  -3.028 -10.667
  366    HZ3  LYS  45           HZ3      LYS  45  -0.997  -3.285  -9.837
  367    H    VAL  46           H        VAL  46  -3.092   4.534 -12.729
  368    HA   VAL  46           HA       VAL  46  -4.942   6.449 -11.392
  369    HB   VAL  46           HB       VAL  46  -4.415   7.976 -13.299
  370   HG11  VAL  46          HG11      VAL  46  -3.456   8.267 -11.061
  371   HG12  VAL  46          HG12      VAL  46  -2.109   7.190 -11.475
  372   HG13  VAL  46          HG13      VAL  46  -2.283   8.749 -12.303
  373   HG21  VAL  46          HG21      VAL  46  -2.018   6.150 -13.784
  374   HG22  VAL  46          HG22      VAL  46  -3.366   6.361 -14.909
  375   HG23  VAL  46          HG23      VAL  46  -2.319   7.732 -14.529
  376    H    TYR  47           H        TYR  47  -6.987   6.728 -12.201
  377    HA   TYR  47           HA       TYR  47  -7.631   5.665 -14.834
  378    HB2  TYR  47           HB2      TYR  47  -9.483   4.293 -14.199
  379    HB3  TYR  47           HB3      TYR  47  -8.003   3.676 -13.474
  380    HD1  TYR  47           HD1      TYR  47 -11.266   5.274 -12.830
  381    HD2  TYR  47           HD2      TYR  47  -7.583   3.889 -11.076
  382    HE1  TYR  47           HE1      TYR  47 -12.245   5.520 -10.574
  383    HE2  TYR  47           HE2      TYR  47  -8.579   4.160  -8.780
  384    HH   TYR  47           HH       TYR  47 -10.650   4.877  -7.516
  385    H    CYS  48           H        CYS  48 -10.007   6.259 -15.300
  386    HA   CYS  48           HA       CYS  48 -11.299   8.277 -13.720
  387    HB2  CYS  48           HB2      CYS  48 -11.037  10.133 -15.362
  388    HB3  CYS  48           HB3      CYS  48  -9.468   9.642 -14.744
  389    HG   CYS  48           HG       CYS  48  -9.087  10.207 -17.009
  390    H    ASN  49           H        ASN  49 -12.956   9.365 -15.603
  391    HA   ASN  49           HA       ASN  49 -14.369   7.194 -17.043
  392    HB2  ASN  49           HB2      ASN  49 -15.513   9.276 -15.951
  393    HB3  ASN  49           HB3      ASN  49 -14.659  10.269 -17.192
  394   HD21  ASN  49          HD22      ASN  49 -16.303   7.030 -17.765
  395   HD22  ASN  49          HD21      ASN  49 -17.548   7.785 -18.752
  396    H    ALA  50           H        ALA  50 -12.813   6.017 -18.258
  397    HA   ALA  50           HA       ALA  50 -12.866   5.848 -20.606
  398    HB1  ALA  50           HB1      ALA  50 -14.515   7.644 -21.047
  399    HB2  ALA  50           HB2      ALA  50 -13.171   8.818 -21.081
  400    HB3  ALA  50           HB3      ALA  50 -13.241   7.535 -22.289
  401    H    GLY  51           H        GLY  51 -10.769   7.284 -18.614
  402    HA2  GLY  51           HA2      GLY  51  -8.586   6.429 -18.584
  403    HA3  GLY  51           HA3      GLY  51  -8.631   6.199 -20.339
  404    H    ARG  52           H        ARG  52  -9.764   9.138 -20.297
  405    HA   ARG  52           HA       ARG  52  -7.351  10.127 -21.438
  406    HB2  ARG  52           HB2      ARG  52  -9.844  11.584 -20.435
  407    HB3  ARG  52           HB3      ARG  52  -8.598  12.394 -21.409
  408    HG2  ARG  52           HG2      ARG  52  -9.751   9.746 -22.379
  409    HG3  ARG  52           HG3      ARG  52 -10.717  11.208 -22.477
  410    HD2  ARG  52           HD2      ARG  52  -8.177  11.989 -23.468
  411    HD3  ARG  52           HD3      ARG  52  -8.388  10.373 -24.102
  412    HE   ARG  52           HE       ARG  52 -10.190  12.734 -24.685
  413   HH11  ARG  52          HH11      ARG  52  -9.909   9.134 -24.867
  414   HH12  ARG  52          HH12      ARG  52 -11.408   8.913 -25.697
  415   HH21  ARG  52          HH21      ARG  52 -12.388  12.325 -25.602
  416   HH22  ARG  52          HH22      ARG  52 -12.883  10.669 -25.961
  417    H    GLN  53           H        GLN  53  -8.897  11.081 -18.411
  418    HA   GLN  53           HA       GLN  53  -6.957  13.109 -17.837
  419    HB2  GLN  53           HB2      GLN  53  -9.032  11.679 -16.093
  420    HB3  GLN  53           HB3      GLN  53  -7.896  12.871 -15.525
  421    HG2  GLN  53           HG2      GLN  53  -9.637  14.220 -15.756
  422    HG3  GLN  53           HG3      GLN  53  -8.889  14.484 -17.325
  423   HE21  GLN  53          HE22      GLN  53 -10.086  12.164 -18.657
  424   HE22  GLN  53          HE21      GLN  53 -11.825  12.425 -18.755
  425    H    SER  54           H        SER  54  -7.090   9.544 -17.421
  426    HA   SER  54           HA       SER  54  -4.862   9.403 -15.611
  427    HB2  SER  54           HB2      SER  54  -5.551   7.160 -17.453
  428    HB3  SER  54           HB3      SER  54  -5.188   7.152 -15.723
  429    HG   SER  54           HG       SER  54  -7.354   6.677 -16.349
  430    H    GLY  55           H        GLY  55  -5.220   9.051 -19.205
  431    HA2  GLY  55           HA2      GLY  55  -2.521   8.289 -19.693
  432    HA3  GLY  55           HA3      GLY  55  -3.628   9.060 -20.844
  433    H    GLN  56           H        GLN  56  -4.213  11.447 -19.652
  434    HA   GLN  56           HA       GLN  56  -2.009  13.162 -20.146
  435    HB2  GLN  56           HB2      GLN  56  -4.735  13.443 -18.820
  436    HB3  GLN  56           HB3      GLN  56  -3.617  14.802 -18.843
  437    HG2  GLN  56           HG2      GLN  56  -3.400  14.656 -21.288
  438    HG3  GLN  56           HG3      GLN  56  -4.496  13.283 -21.349
  439   HE21  GLN  56          HE22      GLN  56  -4.805  15.692 -22.935
  440   HE22  GLN  56          HE21      GLN  56  -6.176  16.658 -22.372
  441    H    ALA  57           H        ALA  57  -3.419  11.986 -17.017
  442    HA   ALA  57           HA       ALA  57  -1.654  13.543 -15.405
  443    HB1  ALA  57           HB1      ALA  57  -3.656  12.503 -14.447
  444    HB2  ALA  57           HB2      ALA  57  -3.011  10.878 -14.799
  445    HB3  ALA  57           HB3      ALA  57  -2.202  11.922 -13.609
  446    H    LYS  58           H        LYS  58  -1.424  10.327 -16.967
  447    HA   LYS  58           HA       LYS  58   0.953   9.531 -15.716
  448    HB2  LYS  58           HB2      LYS  58  -0.638   8.117 -17.106
  449    HB3  LYS  58           HB3      LYS  58   0.094   8.823 -18.561
  450    HG2  LYS  58           HG2      LYS  58   2.310   8.093 -17.848
  451    HG3  LYS  58           HG3      LYS  58   1.629   7.442 -16.344
  452    HD2  LYS  58           HD2      LYS  58   0.437   5.722 -17.653
  453    HD3  LYS  58           HD3      LYS  58   1.101   6.432 -19.160
  454    HE2  LYS  58           HE2      LYS  58   3.407   6.338 -17.825
  455    HE3  LYS  58           HE3      LYS  58   2.645   5.126 -16.861
  456    HZ1  LYS  58           HZ1      LYS  58   2.265   3.797 -18.899
  457    HZ2  LYS  58           HZ2      LYS  58   2.951   4.965 -19.822
  458    HZ3  LYS  58           HZ3      LYS  58   3.876   4.102 -18.761
  459    H    GLU  59           H        GLU  59   0.545  11.574 -18.681
  460    HA   GLU  59           HA       GLU  59   3.297  11.675 -19.374
  461    HB2  GLU  59           HB2      GLU  59   1.113  13.764 -19.803
  462    HB3  GLU  59           HB3      GLU  59   2.708  13.771 -20.556
  463    HG2  GLU  59           HG2      GLU  59   2.142  11.412 -21.448
  464    HG3  GLU  59           HG3      GLU  59   0.484  11.732 -20.968
  465    H    ILE  60           H        ILE  60   1.383  14.007 -17.385
  466    HA   ILE  60           HA       ILE  60   3.696  15.606 -16.866
  467    HB   ILE  60           HB       ILE  60   2.309  16.815 -15.254
  468   HG12  ILE  60          HG12      ILE  60   0.293  14.591 -15.680
  469   HG13  ILE  60          HG13      ILE  60   1.119  14.978 -14.168
  470   HG21  ILE  60          HG21      ILE  60   2.091  17.233 -17.713
  471   HG22  ILE  60          HG22      ILE  60   0.722  16.103 -17.766
  472   HG23  ILE  60          HG23      ILE  60   0.608  17.613 -16.838
  473   HD11  ILE  60          HD11      ILE  60  -0.095  17.102 -14.037
  474   HD12  ILE  60          HD12      ILE  60  -0.935  16.740 -15.579
  475   HD13  ILE  60          HD13      ILE  60  -1.189  15.707 -14.207
  476    H    LEU  61           H        LEU  61   2.308  12.811 -15.150
  477    HA   LEU  61           HA       LEU  61   3.939  13.180 -12.804
  478    HB2  LEU  61           HB2      LEU  61   2.503  10.749 -13.938
  479    HB3  LEU  61           HB3      LEU  61   3.359  10.784 -12.390
  480    HG   LEU  61           HG       LEU  61   0.991  12.601 -12.994
  481   HD11  LEU  61          HD11      LEU  61   0.297  10.236 -12.914
  482   HD12  LEU  61          HD12      LEU  61   1.162  10.011 -11.372
  483   HD13  LEU  61          HD13      LEU  61  -0.251  11.095 -11.476
  484   HD21  LEU  61          HD21      LEU  61   2.501  12.026 -10.445
  485   HD22  LEU  61          HD22      LEU  61   2.482  13.557 -11.340
  486   HD23  LEU  61          HD23      LEU  61   0.987  12.983 -10.607
  487    H    SER  62           H        SER  62   4.410  11.277 -15.844
  488    HA   SER  62           HA       SER  62   6.932  10.160 -15.090
  489    HB2  SER  62           HB2      SER  62   5.947  11.038 -17.824
  490    HB3  SER  62           HB3      SER  62   7.387  10.058 -17.515
  491    HG   SER  62           HG       SER  62   5.154   9.141 -18.038
  492    H    GLU  63           H        GLU  63   5.983  13.368 -16.490
  493    HA   GLU  63           HA       GLU  63   8.674  14.233 -16.814
  494    HB2  GLU  63           HB2      GLU  63   6.533  15.210 -17.860
  495    HB3  GLU  63           HB3      GLU  63   6.366  16.150 -16.368
  496    HG2  GLU  63           HG2      GLU  63   8.504  17.272 -16.763
  497    HG3  GLU  63           HG3      GLU  63   8.981  16.074 -17.944
  498    H    MET  64           H        MET  64   6.376  14.553 -14.087
  499    HA   MET  64           HA       MET  64   8.131  16.067 -12.375
  500    HB2  MET  64           HB2      MET  64   5.699  14.306 -11.864
  501    HB3  MET  64           HB3      MET  64   6.515  15.208 -10.584
  502    HG2  MET  64           HG2      MET  64   6.045  17.328 -11.669
  503    HG3  MET  64           HG3      MET  64   5.424  16.534 -13.095
  504    HE1  MET  64           HE1      MET  64   4.744  15.870  -9.199
  505    HE2  MET  64           HE2      MET  64   4.823  17.631  -9.452
  506    HE3  MET  64           HE3      MET  64   3.289  16.866  -8.992
  507    H    GLY  65           H        GLY  65   8.367  12.898 -13.516
  508    HA2  GLY  65           HA2      GLY  65  10.249  11.634 -13.265
  509    HA3  GLY  65           HA3      GLY  65  10.601  12.384 -11.711
  510    H    TYR  66           H        TYR  66   7.313  11.174 -12.076
  511    HA   TYR  66           HA       TYR  66   7.793   8.915 -10.215
  512    HB2  TYR  66           HB2      TYR  66   5.351   9.842 -11.781
  513    HB3  TYR  66           HB3      TYR  66   5.416   8.388 -10.797
  514    HD1  TYR  66           HD1      TYR  66   5.380  12.096 -10.646
  515    HD2  TYR  66           HD2      TYR  66   5.518   8.419  -8.403
  516    HE1  TYR  66           HE1      TYR  66   4.979  13.356  -8.553
  517    HE2  TYR  66           HE2      TYR  66   5.089   9.683  -6.286
  518    HH   TYR  66           HH       TYR  66   4.709  11.999  -5.318
  519    H    THR  67           H        THR  67   8.472   6.935 -10.977
  520    HA   THR  67           HA       THR  67   8.539   6.561 -13.901
  521    HB   THR  67           HB       THR  67  10.351   4.854 -13.050
  522    HG1  THR  67           HG1      THR  67  11.015   5.111 -10.998
  523   HG21  THR  67          HG21      THR  67  10.860   7.049 -14.217
  524   HG22  THR  67          HG22      THR  67  10.800   7.866 -12.647
  525   HG23  THR  67          HG23      THR  67  12.047   6.650 -12.966
  526    H    HIS  68           H        HIS  68   6.456   5.604 -11.492
  527    HA   HIS  68           HA       HIS  68   5.941   2.906 -12.653
  528    HB2  HIS  68           HB2      HIS  68   5.707   3.675  -9.723
  529    HB3  HIS  68           HB3      HIS  68   5.560   2.068 -10.410
  530    HD1  HIS  68           HD1      HIS  68   7.945   0.684 -10.572
  531    HD2  HIS  68           HD2      HIS  68   8.231   4.767  -9.620
  532    HE1  HIS  68           HE1      HIS  68  10.331   1.104  -9.882
  533    H    VAL  69           H        VAL  69   4.590   5.232 -13.527
  534    HA   VAL  69           HA       VAL  69   1.991   5.190 -12.085
  535    HB   VAL  69           HB       VAL  69   2.830   6.928 -14.427
  536   HG11  VAL  69          HG11      VAL  69   0.380   6.545 -14.255
  537   HG12  VAL  69          HG12      VAL  69   0.418   7.024 -12.546
  538   HG13  VAL  69          HG13      VAL  69   0.777   8.209 -13.823
  539   HG21  VAL  69          HG21      VAL  69   2.733   7.573 -11.443
  540   HG22  VAL  69          HG22      VAL  69   4.178   7.503 -12.470
  541   HG23  VAL  69          HG23      VAL  69   2.959   8.735 -12.766
  542    H    GLU  70           H        GLU  70   0.302   4.048 -12.996
  543    HA   GLU  70           HA       GLU  70   0.589   2.968 -15.749
  544    HB2  GLU  70           HB2      GLU  70   1.398   1.313 -14.151
  545    HB3  GLU  70           HB3      GLU  70  -0.122   1.390 -13.246
  546    HG2  GLU  70           HG2      GLU  70  -1.250   0.112 -14.825
  547    HG3  GLU  70           HG3      GLU  70  -0.500   0.957 -16.168
  548    H    ASN  71           H        ASN  71  -1.322   3.063 -16.862
  549    HA   ASN  71           HA       ASN  71  -3.656   4.247 -15.501
  550    HB2  ASN  71           HB2      ASN  71  -3.232   5.195 -17.692
  551    HB3  ASN  71           HB3      ASN  71  -3.176   3.571 -18.418
  552   HD21  ASN  71          HD22      ASN  71  -5.589   4.621 -15.896
  553   HD22  ASN  71          HD21      ASN  71  -6.931   4.377 -17.003
  554    H    ALA  72           H        ALA  72  -4.736   2.777 -14.317
  555    HA   ALA  72           HA       ALA  72  -4.642  -0.063 -14.748
  556    HB1  ALA  72           HB1      ALA  72  -5.192   0.913 -12.537
  557    HB2  ALA  72           HB2      ALA  72  -6.675   1.629 -13.212
  558    HB3  ALA  72           HB3      ALA  72  -6.510  -0.132 -13.107
  559    H    GLY  73           H        GLY  73  -6.733   2.449 -16.055
  560    HA2  GLY  73           HA2      GLY  73  -7.761   1.365 -18.264
  561    HA3  GLY  73           HA3      GLY  73  -8.741   0.536 -17.045
  562    H    GLY  74           H        GLY  74 -10.617   1.601 -17.755
  563    HA2  GLY  74           HA2      GLY  74 -10.899   4.349 -16.635
  564    HA3  GLY  74           HA3      GLY  74 -11.841   3.822 -18.038
  565    H    LEU  75           H        LEU  75 -13.040   4.680 -15.638
  566    HA   LEU  75           HA       LEU  75 -13.643   3.187 -13.514
  567    HB2  LEU  75           HB2      LEU  75 -14.657   5.363 -14.027
  568    HB3  LEU  75           HB3      LEU  75 -15.578   4.710 -15.334
  569    HG   LEU  75           HG       LEU  75 -17.239   5.027 -13.820
  570   HD11  LEU  75          HD11      LEU  75 -17.357   2.468 -14.053
  571   HD12  LEU  75          HD12      LEU  75 -16.443   2.405 -12.498
  572   HD13  LEU  75          HD13      LEU  75 -18.023   3.096 -12.537
  573   HD21  LEU  75          HD21      LEU  75 -15.030   4.962 -11.903
  574   HD22  LEU  75          HD22      LEU  75 -16.443   6.024 -12.121
  575   HD23  LEU  75          HD23      LEU  75 -16.651   4.520 -11.268
  576    H    LYS  76           H        LYS  76 -15.168   2.760 -16.633
  577    HA   LYS  76           HA       LYS  76 -17.042   0.742 -15.908
  578    HB2  LYS  76           HB2      LYS  76 -16.089   2.207 -18.335
  579    HB3  LYS  76           HB3      LYS  76 -16.552   0.552 -18.722
  580    HG2  LYS  76           HG2      LYS  76 -18.678   0.830 -17.447
  581    HG3  LYS  76           HG3      LYS  76 -18.228   2.523 -17.137
  582    HD2  LYS  76           HD2      LYS  76 -17.897   2.458 -19.838
  583    HD3  LYS  76           HD3      LYS  76 -19.096   1.169 -19.666
  584    HE2  LYS  76           HE2      LYS  76 -19.988   3.160 -17.900
  585    HE3  LYS  76           HE3      LYS  76 -19.425   4.104 -19.248
  586    HZ1  LYS  76           HZ1      LYS  76 -20.876   2.537 -20.683
  587    HZ2  LYS  76           HZ2      LYS  76 -21.431   1.872 -19.289
  588    HZ3  LYS  76           HZ3      LYS  76 -21.811   3.410 -19.659
  589    H    ASP  77           H        ASP  77 -13.830   0.566 -17.216
  590    HA   ASP  77           HA       ASP  77 -14.200  -2.122 -18.350
  591    HB2  ASP  77           HB2      ASP  77 -13.067  -0.371 -19.629
  592    HB3  ASP  77           HB3      ASP  77 -11.962  -0.040 -18.297
  593    H    ILE  78           H        ILE  78 -12.726  -0.346 -15.670
  594    HA   ILE  78           HA       ILE  78 -11.126  -2.439 -14.656
  595    HB   ILE  78           HB       ILE  78 -12.347   0.047 -13.386
  596   HG12  ILE  78          HG12      ILE  78  -9.455  -0.639 -14.135
  597   HG13  ILE  78          HG13      ILE  78 -10.540   0.176 -15.236
  598   HG21  ILE  78          HG21      ILE  78 -11.996  -1.591 -11.578
  599   HG22  ILE  78          HG22      ILE  78 -10.330  -1.888 -12.146
  600   HG23  ILE  78          HG23      ILE  78 -10.789  -0.327 -11.463
  601   HD11  ILE  78          HD11      ILE  78 -10.823   2.053 -13.644
  602   HD12  ILE  78          HD12      ILE  78  -9.666   1.285 -12.539
  603   HD13  ILE  78          HD13      ILE  78  -9.139   1.804 -14.145
  604    H    ALA  79           H        ALA  79 -11.706  -4.305 -13.807
  605    HA   ALA  79           HA       ALA  79 -14.448  -4.998 -13.417
  606    HB1  ALA  79           HB1      ALA  79 -12.773  -6.533 -14.334
  607    HB2  ALA  79           HB2      ALA  79 -11.883  -6.532 -12.789
  608    HB3  ALA  79           HB3      ALA  79 -13.515  -7.232 -12.881
  609    H    MET  80           H        MET  80 -12.345  -3.483 -11.254
  610    HA   MET  80           HA       MET  80 -13.009  -4.821  -8.823
  611    HB2  MET  80           HB2      MET  80 -11.959  -1.982  -9.249
  612    HB3  MET  80           HB3      MET  80 -12.012  -2.849  -7.709
  613    HG2  MET  80           HG2      MET  80 -10.739  -4.743  -8.980
  614    HG3  MET  80           HG3      MET  80 -10.394  -3.526 -10.183
  615    HE1  MET  80           HE1      MET  80 -10.110  -1.878  -6.392
  616    HE2  MET  80           HE2      MET  80 -10.359  -3.626  -6.123
  617    HE3  MET  80           HE3      MET  80  -8.795  -2.865  -5.765
  618    HA   PRO  81           HA       PRO  81 -17.013  -3.104  -7.864
  619    HB2  PRO  81           HB2      PRO  81 -16.680  -2.777  -5.054
  620    HB3  PRO  81           HB3      PRO  81 -17.350  -4.177  -5.924
  621    HG2  PRO  81           HG2      PRO  81 -14.653  -3.879  -4.706
  622    HG3  PRO  81           HG3      PRO  81 -15.526  -5.362  -5.145
  623    HD2  PRO  81           HD2      PRO  81 -13.382  -4.079  -6.474
  624    HD3  PRO  81           HD3      PRO  81 -14.359  -5.429  -7.119
  625    H    LYS  82           H        LYS  82 -18.071  -1.158  -6.868
  626    HA   LYS  82           HA       LYS  82 -16.292   1.213  -6.820
  627    HB2  LYS  82           HB2      LYS  82 -18.891   0.990  -8.430
  628    HB3  LYS  82           HB3      LYS  82 -18.006   2.462  -8.080
  629    HG2  LYS  82           HG2      LYS  82 -17.337   2.060 -10.222
  630    HG3  LYS  82           HG3      LYS  82 -15.996   1.382  -9.303
  631    HD2  LYS  82           HD2      LYS  82 -17.053  -0.907  -9.599
  632    HD3  LYS  82           HD3      LYS  82 -18.312  -0.161 -10.596
  633    HE2  LYS  82           HE2      LYS  82 -16.677   0.559 -12.235
  634    HE3  LYS  82           HE3      LYS  82 -15.336   0.130 -11.157
  635    HZ1  LYS  82           HZ1      LYS  82 -15.926  -2.156 -11.387
  636    HZ2  LYS  82           HZ2      LYS  82 -17.186  -1.792 -12.417
  637    HZ3  LYS  82           HZ3      LYS  82 -15.620  -1.519 -12.843
  638    H    VAL  83           H        VAL  83 -17.290   3.024  -5.782
  639    HA   VAL  83           HA       VAL  83 -19.811   2.571  -4.364
  640    HB   VAL  83           HB       VAL  83 -18.953   3.547  -2.292
  641   HG11  VAL  83          HG11      VAL  83 -19.041   1.087  -2.433
  642   HG12  VAL  83          HG12      VAL  83 -17.372   1.045  -3.024
  643   HG13  VAL  83          HG13      VAL  83 -17.715   1.635  -1.384
  644   HG21  VAL  83          HG21      VAL  83 -16.177   3.399  -3.570
  645   HG22  VAL  83          HG22      VAL  83 -17.080   4.853  -3.141
  646   HG23  VAL  83          HG23      VAL  83 -16.515   3.791  -1.861
  647    H    LYS  84           H        LYS  84 -20.555   4.759  -3.536
  648    HA   LYS  84           HA       LYS  84 -20.187   6.729  -5.736
  649    HB2  LYS  84           HB2      LYS  84 -22.448   6.703  -3.734
  650    HB3  LYS  84           HB3      LYS  84 -22.395   7.369  -5.358
  651    HG2  LYS  84           HG2      LYS  84 -22.151   4.310  -5.257
  652    HG3  LYS  84           HG3      LYS  84 -23.663   4.956  -4.738
  653    HD2  LYS  84           HD2      LYS  84 -22.618   6.217  -7.199
  654    HD3  LYS  84           HD3      LYS  84 -22.954   4.507  -7.380
  655    HE2  LYS  84           HE2      LYS  84 -25.250   5.042  -6.219
  656    HE3  LYS  84           HE3      LYS  84 -24.882   6.722  -6.568
  657    HZ1  LYS  84           HZ1      LYS  84 -24.795   6.181  -8.944
  658    HZ2  LYS  84           HZ2      LYS  84 -24.982   4.587  -8.693
  659    HZ3  LYS  84           HZ3      LYS  84 -26.227   5.603  -8.415
  660    H    GLY  85           H        GLY  85 -20.265   9.056  -4.965
  661    HA2  GLY  85           HA2      GLY  85 -18.629   9.597  -2.568
  662    HA3  GLY  85           HA3      GLY  85 -19.234  10.731  -3.793
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1   4.640   1.345  -2.488
    2    H2   ALA   1           H2       ALA   1   4.987   0.105  -1.443
    3    H3   ALA   1           H3       ALA   1   4.961  -0.146  -3.073
    4    HA   ALA   1           HA       ALA   1   2.984  -1.042  -2.141
    5    HB1  ALA   1           HB1      ALA   1   2.937   0.457  -0.139
    6    HB2  ALA   1           HB2      ALA   1   2.443   1.810  -1.182
    7    HB3  ALA   1           HB3      ALA   1   1.382   0.399  -0.972
    8    H    GLU   2           H        GLU   2   0.575   0.449  -2.817
    9    HA   GLU   2           HA       GLU   2   1.023   1.875  -5.265
   10    HB2  GLU   2           HB2      GLU   2  -0.341   0.520  -6.716
   11    HB3  GLU   2           HB3      GLU   2   0.970  -0.481  -6.099
   12    HG2  GLU   2           HG2      GLU   2  -0.647  -1.412  -4.378
   13    HG3  GLU   2           HG3      GLU   2  -1.939  -0.522  -5.192
   14    H    HIS   3           H        HIS   3  -1.124   2.862  -5.972
   15    HA   HIS   3           HA       HIS   3  -3.270   2.838  -3.952
   16    HB2  HIS   3           HB2      HIS   3  -1.706   5.323  -4.800
   17    HB3  HIS   3           HB3      HIS   3  -3.287   5.373  -4.028
   18    HD1  HIS   3           HD1      HIS   3  -3.371   4.499  -1.399
   19    HD2  HIS   3           HD2      HIS   3   0.403   5.018  -3.200
   20    HE1  HIS   3           HE1      HIS   3  -1.676   4.545   0.496
   21    H    TRP   4           H        TRP   4  -5.238   3.206  -4.890
   22    HA   TRP   4           HA       TRP   4  -5.460   3.537  -7.811
   23    HB2  TRP   4           HB2      TRP   4  -7.539   3.207  -5.591
   24    HB3  TRP   4           HB3      TRP   4  -7.928   3.442  -7.280
   25    HD1  TRP   4           HD1      TRP   4  -6.671   0.798  -4.862
   26    HE1  TRP   4           HE1      TRP   4  -6.538  -1.476  -6.004
   27    HE3  TRP   4           HE3      TRP   4  -7.629   2.273  -9.670
   28    HZ2  TRP   4           HZ2      TRP   4  -6.775  -2.539  -8.703
   29    HZ3  TRP   4           HZ3      TRP   4  -7.682   0.611 -11.499
   30    HH2  TRP   4           HH2      TRP   4  -7.235  -1.793 -11.036
   31    H    ILE   5           H        ILE   5  -4.950   5.591  -8.402
   32    HA   ILE   5           HA       ILE   5  -6.133   7.855  -6.847
   33    HB   ILE   5           HB       ILE   5  -3.547   7.825  -8.454
   34   HG12  ILE   5          HG12      ILE   5  -4.159   7.957  -5.474
   35   HG13  ILE   5          HG13      ILE   5  -3.193   6.760  -6.323
   36   HG21  ILE   5          HG21      ILE   5  -3.326  10.183  -7.809
   37   HG22  ILE   5          HG22      ILE   5  -4.820   9.961  -8.697
   38   HG23  ILE   5          HG23      ILE   5  -4.873  10.106  -6.932
   39   HD11  ILE   5          HD11      ILE   5  -2.465   9.637  -5.678
   40   HD12  ILE   5          HD12      ILE   5  -1.713   8.151  -5.087
   41   HD13  ILE   5          HD13      ILE   5  -1.511   8.628  -6.786
   42    H    ASP   6           H        ASP   6  -8.038   8.008  -7.867
   43    HA   ASP   6           HA       ASP   6  -8.283   7.888 -10.771
   44    HB2  ASP   6           HB2      ASP   6 -10.123   7.396  -9.021
   45    HB3  ASP   6           HB3      ASP   6 -10.264   9.137  -8.857
   46    H    VAL   7           H        VAL   7  -8.847   9.895 -11.965
   47    HA   VAL   7           HA       VAL   7  -7.824  12.403 -10.822
   48    HB   VAL   7           HB       VAL   7  -6.355  12.816 -12.792
   49   HG11  VAL   7          HG11      VAL   7  -5.483  10.316 -11.281
   50   HG12  VAL   7          HG12      VAL   7  -4.449  11.504 -12.095
   51   HG13  VAL   7          HG13      VAL   7  -5.362  11.966 -10.655
   52   HG21  VAL   7          HG21      VAL   7  -7.444  11.072 -14.287
   53   HG22  VAL   7          HG22      VAL   7  -5.675  11.068 -14.250
   54   HG23  VAL   7          HG23      VAL   7  -6.591   9.828 -13.364
   55    H    ARG   8           H        ARG   8 -10.410  11.110 -11.898
   56    HA   ARG   8           HA       ARG   8 -11.376  12.604 -14.114
   57    HB2  ARG   8           HB2      ARG   8 -13.588  12.072 -13.224
   58    HB3  ARG   8           HB3      ARG   8 -12.533  10.665 -13.135
   59    HG2  ARG   8           HG2      ARG   8 -12.122  11.189 -10.693
   60    HG3  ARG   8           HG3      ARG   8 -13.245  12.533 -10.812
   61    HD2  ARG   8           HD2      ARG   8 -14.328  10.650  -9.825
   62    HD3  ARG   8           HD3      ARG   8 -15.017  10.938 -11.437
   63    HE   ARG   8           HE       ARG   8 -12.869   8.977 -11.346
   64   HH11  ARG   8          HH11      ARG   8 -16.410   9.397 -10.893
   65   HH12  ARG   8          HH12      ARG   8 -16.723   7.725 -11.230
   66   HH21  ARG   8          HH21      ARG   8 -13.326   6.872 -11.502
   67   HH22  ARG   8          HH22      ARG   8 -14.995   6.262 -11.626
   68    H    VAL   9           H        VAL   9 -12.915  14.377 -14.087
   69    HA   VAL   9           HA       VAL   9 -12.116  16.644 -12.621
   70    HB   VAL   9           HB       VAL   9 -14.283  17.634 -13.411
   71   HG11  VAL   9          HG11      VAL   9 -12.221  17.695 -14.778
   72   HG12  VAL   9          HG12      VAL   9 -12.682  16.165 -15.554
   73   HG13  VAL   9          HG13      VAL   9 -13.680  17.614 -15.775
   74   HG21  VAL   9          HG21      VAL   9 -14.760  14.927 -14.735
   75   HG22  VAL   9          HG22      VAL   9 -15.703  15.608 -13.387
   76   HG23  VAL   9          HG23      VAL   9 -15.708  16.408 -14.962
   77    HA   PRO  10           HA       PRO  10 -13.358  15.795  -8.645
   78    HB2  PRO  10           HB2      PRO  10 -14.415  18.140  -7.572
   79    HB3  PRO  10           HB3      PRO  10 -12.684  17.817  -7.864
   80    HG2  PRO  10           HG2      PRO  10 -14.645  19.292  -9.642
   81    HG3  PRO  10           HG3      PRO  10 -12.954  19.767  -9.195
   82    HD2  PRO  10           HD2      PRO  10 -13.516  18.605 -11.562
   83    HD3  PRO  10           HD3      PRO  10 -12.039  18.163 -10.664
   84    H    GLU  11           H        GLU  11 -16.104  17.407 -10.317
   85    HA   GLU  11           HA       GLU  11 -18.100  16.549  -8.484
   86    HB2  GLU  11           HB2      GLU  11 -18.129  17.374 -11.398
   87    HB3  GLU  11           HB3      GLU  11 -19.613  16.869 -10.551
   88    HG2  GLU  11           HG2      GLU  11 -19.226  18.645  -8.848
   89    HG3  GLU  11           HG3      GLU  11 -17.766  19.153  -9.699
   90    H    GLN  12           H        GLN  12 -16.312  14.638 -10.781
   91    HA   GLN  12           HA       GLN  12 -18.470  12.625 -10.981
   92    HB2  GLN  12           HB2      GLN  12 -15.749  12.859 -12.305
   93    HB3  GLN  12           HB3      GLN  12 -16.825  11.454 -12.463
   94    HG2  GLN  12           HG2      GLN  12 -18.590  12.833 -13.413
   95    HG3  GLN  12           HG3      GLN  12 -17.598  14.281 -13.256
   96   HE21  GLN  12          HE22      GLN  12 -18.545  13.782 -15.754
   97   HE22  GLN  12          HE21      GLN  12 -17.288  13.164 -16.793
   98    H    TYR  13           H        TYR  13 -15.924  13.395  -8.772
   99    HA   TYR  13           HA       TYR  13 -15.435  10.625  -7.969
  100    HB2  TYR  13           HB2      TYR  13 -13.835  12.484  -7.571
  101    HB3  TYR  13           HB3      TYR  13 -14.991  13.228  -6.477
  102    HD1  TYR  13           HD2      TYR  13 -13.841   9.576  -6.749
  103    HD2  TYR  13           HD1      TYR  13 -13.986  13.202  -4.376
  104    HE1  TYR  13           HE2      TYR  13 -12.634   8.453  -4.942
  105    HE2  TYR  13           HE1      TYR  13 -12.829  12.028  -2.534
  106    HH   TYR  13           HH       TYR  13 -11.746   8.602  -2.838
  107    H    GLN  14           H        GLN  14 -17.936  12.996  -7.439
  108    HA   GLN  14           HA       GLN  14 -19.207  11.789  -5.151
  109    HB2  GLN  14           HB2      GLN  14 -20.485  13.271  -7.484
  110    HB3  GLN  14           HB3      GLN  14 -21.162  13.062  -5.874
  111    HG2  GLN  14           HG2      GLN  14 -19.416  14.508  -4.909
  112    HG3  GLN  14           HG3      GLN  14 -18.663  14.706  -6.497
  113   HE21  GLN  14          HE22      GLN  14 -20.361  15.400  -8.308
  114   HE22  GLN  14          HE21      GLN  14 -21.386  16.744  -7.836
  115    H    GLN  15           H        GLN  15 -18.638  10.569  -8.297
  116    HA   GLN  15           HA       GLN  15 -21.196   9.070  -8.462
  117    HB2  GLN  15           HB2      GLN  15 -19.422   9.967 -10.765
  118    HB3  GLN  15           HB3      GLN  15 -21.052   9.304 -10.834
  119    HG2  GLN  15           HG2      GLN  15 -21.909  11.365  -9.651
  120    HG3  GLN  15           HG3      GLN  15 -20.284  12.037  -9.661
  121   HE21  GLN  15          HE22      GLN  15 -20.531  13.807 -10.926
  122   HE22  GLN  15          HE21      GLN  15 -21.093  13.756 -12.586
  123    H    GLU  16           H        GLU  16 -20.464   7.210 -10.372
  124    HA   GLU  16           HA       GLU  16 -19.488   5.212  -8.693
  125    HB2  GLU  16           HB2      GLU  16 -20.995   4.896 -10.599
  126    HB3  GLU  16           HB3      GLU  16 -19.683   5.254 -11.726
  127    HG2  GLU  16           HG2      GLU  16 -18.447   3.255 -10.909
  128    HG3  GLU  16           HG3      GLU  16 -19.732   2.939  -9.739
  129    H    HIS  17           H        HIS  17 -17.436   4.836  -7.935
  130    HA   HIS  17           HA       HIS  17 -15.157   4.908  -9.797
  131    HB2  HIS  17           HB2      HIS  17 -13.806   6.315  -8.371
  132    HB3  HIS  17           HB3      HIS  17 -15.258   7.194  -8.816
  133    HD1  HIS  17           HD1      HIS  17 -17.179   7.381  -6.808
  134    HD2  HIS  17           HD2      HIS  17 -13.275   6.152  -5.820
  135    HE1  HIS  17           HE1      HIS  17 -16.955   7.656  -4.277
  136    H    VAL  18           H        VAL  18 -13.191   3.872  -8.710
  137    HA   VAL  18           HA       VAL  18 -14.003   1.315  -7.779
  138    HB   VAL  18           HB       VAL  18 -11.282   2.666  -7.901
  139   HG11  VAL  18          HG11      VAL  18 -11.941  -0.218  -7.249
  140   HG12  VAL  18          HG12      VAL  18 -10.336   0.346  -7.780
  141   HG13  VAL  18          HG13      VAL  18 -11.019   0.934  -6.263
  142   HG21  VAL  18          HG21      VAL  18 -12.505   2.200 -10.094
  143   HG22  VAL  18          HG22      VAL  18 -10.963   1.371  -9.916
  144   HG23  VAL  18          HG23      VAL  18 -12.489   0.484  -9.668
  145    H    GLN  19           H        GLN  19 -14.013   0.381  -5.817
  146    HA   GLN  19           HA       GLN  19 -14.726   1.816  -3.551
  147    HB2  GLN  19           HB2      GLN  19 -15.184  -0.555  -4.040
  148    HB3  GLN  19           HB3      GLN  19 -13.503  -0.973  -3.730
  149    HG2  GLN  19           HG2      GLN  19 -15.350   0.321  -1.667
  150    HG3  GLN  19           HG3      GLN  19 -15.212  -1.417  -1.872
  151   HE21  GLN  19          HE22      GLN  19 -14.172   0.976   0.135
  152   HE22  GLN  19          HE21      GLN  19 -12.641   0.304   0.624
  153    H    GLY  20           H        GLY  20 -13.617   3.164  -2.286
  154    HA2  GLY  20           HA2      GLY  20 -12.068   3.843  -0.768
  155    HA3  GLY  20           HA3      GLY  20 -11.149   2.362  -1.053
  156    H    ALA  21           H        ALA  21 -11.601   3.961  -4.063
  157    HA   ALA  21           HA       ALA  21  -8.815   4.721  -4.214
  158    HB1  ALA  21           HB1      ALA  21 -10.122   3.982  -6.184
  159    HB2  ALA  21           HB2      ALA  21 -11.164   5.416  -6.024
  160    HB3  ALA  21           HB3      ALA  21  -9.445   5.610  -6.421
  161    H    ILE  22           H        ILE  22  -7.979   6.840  -4.489
  162    HA   ILE  22           HA       ILE  22  -9.510   9.040  -3.187
  163    HB   ILE  22           HB       ILE  22  -7.298   8.591  -2.255
  164   HG12  ILE  22          HG12      ILE  22  -7.211  11.206  -3.805
  165   HG13  ILE  22          HG13      ILE  22  -8.205  10.933  -2.361
  166   HG21  ILE  22          HG21      ILE  22  -6.138   9.308  -4.977
  167   HG22  ILE  22          HG22      ILE  22  -5.226   8.916  -3.506
  168   HG23  ILE  22          HG23      ILE  22  -6.179   7.670  -4.274
  169   HD11  ILE  22          HD11      ILE  22  -6.175  12.061  -1.697
  170   HD12  ILE  22          HD12      ILE  22  -6.090  10.398  -1.090
  171   HD13  ILE  22          HD13      ILE  22  -5.159  10.884  -2.529
  172    H    ASN  23           H        ASN  23  -9.520  11.132  -4.461
  173    HA   ASN  23           HA       ASN  23  -9.022  10.791  -7.387
  174    HB2  ASN  23           HB2      ASN  23 -11.406  10.703  -7.104
  175    HB3  ASN  23           HB3      ASN  23 -11.357  12.275  -6.257
  176   HD21  ASN  23          HD22      ASN  23 -11.677  13.991  -7.670
  177   HD22  ASN  23          HD21      ASN  23 -11.238  13.955  -9.393
  178    H    ILE  24           H        ILE  24  -7.747  12.261  -8.197
  179    HA   ILE  24           HA       ILE  24  -7.382  14.847  -6.802
  180    HB   ILE  24           HB       ILE  24  -5.000  13.301  -7.862
  181   HG12  ILE  24          HG12      ILE  24  -5.941  13.332  -4.959
  182   HG13  ILE  24          HG13      ILE  24  -5.900  11.926  -6.019
  183   HG21  ILE  24          HG21      ILE  24  -3.744  15.012  -6.771
  184   HG22  ILE  24          HG22      ILE  24  -5.119  15.883  -7.483
  185   HG23  ILE  24          HG23      ILE  24  -5.126  15.496  -5.764
  186   HD11  ILE  24          HD11      ILE  24  -3.402  12.233  -6.244
  187   HD12  ILE  24          HD12      ILE  24  -3.508  13.454  -4.952
  188   HD13  ILE  24          HD13      ILE  24  -3.995  11.778  -4.636
  189    HA   PRO  25           HA       PRO  25  -8.921  14.902 -11.085
  190    HB2  PRO  25           HB2      PRO  25  -8.962  17.881 -10.589
  191    HB3  PRO  25           HB3      PRO  25 -10.207  16.848 -11.350
  192    HG2  PRO  25           HG2      PRO  25 -10.421  17.710  -8.759
  193    HG3  PRO  25           HG3      PRO  25 -10.945  16.068  -9.237
  194    HD2  PRO  25           HD2      PRO  25  -8.431  16.915  -7.820
  195    HD3  PRO  25           HD3      PRO  25  -9.419  15.442  -7.596
  196    H    LEU  26           H        LEU  26  -7.927  15.210 -13.098
  197    HA   LEU  26           HA       LEU  26  -5.252  15.853 -13.378
  198    HB2  LEU  26           HB2      LEU  26  -6.550  14.705 -15.069
  199    HB3  LEU  26           HB3      LEU  26  -7.542  16.143 -15.351
  200    HG   LEU  26           HG       LEU  26  -5.505  17.331 -16.236
  201   HD11  LEU  26          HD11      LEU  26  -3.724  16.026 -15.111
  202   HD12  LEU  26          HD12      LEU  26  -4.219  14.566 -15.998
  203   HD13  LEU  26          HD13      LEU  26  -3.530  15.959 -16.862
  204   HD21  LEU  26          HD21      LEU  26  -5.509  16.196 -18.375
  205   HD22  LEU  26          HD22      LEU  26  -6.161  14.721 -17.628
  206   HD23  LEU  26          HD23      LEU  26  -7.145  16.197 -17.707
  207    H    LYS  27           H        LYS  27  -7.956  18.168 -13.305
  208    HA   LYS  27           HA       LYS  27  -6.457  20.446 -14.226
  209    HB2  LYS  27           HB2      LYS  27  -8.932  20.332 -12.441
  210    HB3  LYS  27           HB3      LYS  27  -8.352  21.750 -13.296
  211    HG2  LYS  27           HG2      LYS  27  -9.485  19.205 -14.531
  212    HG3  LYS  27           HG3      LYS  27 -10.257  20.779 -14.455
  213    HD2  LYS  27           HD2      LYS  27  -7.774  20.083 -16.087
  214    HD3  LYS  27           HD3      LYS  27  -9.414  20.306 -16.698
  215    HE2  LYS  27           HE2      LYS  27  -9.394  22.670 -15.905
  216    HE3  LYS  27           HE3      LYS  27  -7.733  22.462 -15.339
  217    HZ1  LYS  27           HZ1      LYS  27  -7.800  23.486 -17.518
  218    HZ2  LYS  27           HZ2      LYS  27  -7.074  22.034 -17.639
  219    HZ3  LYS  27           HZ3      LYS  27  -8.612  22.230 -18.159
  220    H    GLU  28           H        GLU  28  -6.296  18.758 -11.226
  221    HA   GLU  28           HA       GLU  28  -5.123  21.110  -9.801
  222    HB2  GLU  28           HB2      GLU  28  -6.869  18.860  -8.710
  223    HB3  GLU  28           HB3      GLU  28  -6.235  20.211  -7.787
  224    HG2  GLU  28           HG2      GLU  28  -8.348  20.330  -9.988
  225    HG3  GLU  28           HG3      GLU  28  -8.625  20.486  -8.272
  226    H    VAL  29           H        VAL  29  -4.730  17.811 -10.785
  227    HA   VAL  29           HA       VAL  29  -3.611  16.561  -8.730
  228    HB   VAL  29           HB       VAL  29  -4.291  15.582 -10.854
  229   HG11  VAL  29          HG11      VAL  29  -3.092  17.137 -12.408
  230   HG12  VAL  29          HG12      VAL  29  -1.570  16.339 -11.968
  231   HG13  VAL  29          HG13      VAL  29  -2.860  15.421 -12.770
  232   HG21  VAL  29          HG21      VAL  29  -2.793  13.720 -10.916
  233   HG22  VAL  29          HG22      VAL  29  -1.499  14.656 -10.146
  234   HG23  VAL  29          HG23      VAL  29  -2.975  14.242  -9.236
  235    H    LYS  30           H        LYS  30  -1.624  18.692 -10.830
  236    HA   LYS  30           HA       LYS  30   0.844  17.800  -9.748
  237    HB2  LYS  30           HB2      LYS  30   0.158  20.517 -10.951
  238    HB3  LYS  30           HB3      LYS  30   1.786  19.900 -10.646
  239    HG2  LYS  30           HG2      LYS  30   1.292  17.954 -12.184
  240    HG3  LYS  30           HG3      LYS  30  -0.270  18.688 -12.548
  241    HD2  LYS  30           HD2      LYS  30   1.217  19.237 -14.332
  242    HD3  LYS  30           HD3      LYS  30   0.906  20.719 -13.416
  243    HE2  LYS  30           HE2      LYS  30   3.091  20.423 -12.235
  244    HE3  LYS  30           HE3      LYS  30   3.378  18.936 -13.147
  245    HZ1  LYS  30           HZ1      LYS  30   3.126  21.645 -14.329
  246    HZ2  LYS  30           HZ2      LYS  30   4.518  20.825 -14.132
  247    HZ3  LYS  30           HZ3      LYS  30   3.397  20.275 -15.179
  248    H    GLU  31           H        GLU  31  -1.566  19.871  -8.282
  249    HA   GLU  31           HA       GLU  31   0.316  21.175  -6.467
  250    HB2  GLU  31           HB2      GLU  31  -1.925  22.072  -7.481
  251    HB3  GLU  31           HB3      GLU  31  -2.718  21.056  -6.277
  252    HG2  GLU  31           HG2      GLU  31  -2.605  23.319  -5.468
  253    HG3  GLU  31           HG3      GLU  31  -1.558  22.332  -4.467
  254    H    ARG  32           H        ARG  32  -1.411  18.141  -6.531
  255    HA   ARG  32           HA       ARG  32  -1.188  17.868  -3.549
  256    HB2  ARG  32           HB2      ARG  32  -3.390  18.641  -4.221
  257    HB3  ARG  32           HB3      ARG  32  -3.554  17.324  -5.378
  258    HG2  ARG  32           HG2      ARG  32  -3.707  15.688  -3.595
  259    HG3  ARG  32           HG3      ARG  32  -3.298  16.912  -2.369
  260    HD2  ARG  32           HD2      ARG  32  -5.366  18.076  -2.701
  261    HD3  ARG  32           HD3      ARG  32  -5.711  17.206  -4.191
  262    HE   ARG  32           HE       ARG  32  -5.699  15.974  -1.459
  263   HH11  ARG  32          HH11      ARG  32  -7.272  16.263  -4.635
  264   HH12  ARG  32          HH12      ARG  32  -8.236  14.829  -4.436
  265   HH21  ARG  32          HH21      ARG  32  -7.219  14.293  -1.088
  266   HH22  ARG  32          HH22      ARG  32  -8.353  13.854  -2.310
  267    H    ILE  33           H        ILE  33  -0.707  16.260  -6.643
  268    HA   ILE  33           HA       ILE  33  -0.849  13.619  -5.711
  269    HB   ILE  33           HB       ILE  33  -0.753  14.279  -8.053
  270   HG12  ILE  33          HG12      ILE  33   0.784  12.507  -8.902
  271   HG13  ILE  33          HG13      ILE  33   1.423  12.296  -7.281
  272   HG21  ILE  33          HG21      ILE  33   1.184  14.972  -9.247
  273   HG22  ILE  33          HG22      ILE  33   1.094  16.032  -7.851
  274   HG23  ILE  33          HG23      ILE  33   2.251  14.686  -7.854
  275   HD11  ILE  33          HD11      ILE  33  -0.300  10.615  -7.895
  276   HD12  ILE  33          HD12      ILE  33  -0.825  11.576  -6.504
  277   HD13  ILE  33          HD13      ILE  33  -1.491  11.910  -8.121
  278    H    ALA  34           H        ALA  34   1.785  15.999  -5.342
  279    HA   ALA  34           HA       ALA  34   3.759  14.221  -4.359
  280    HB1  ALA  34           HB1      ALA  34   3.258  17.144  -3.634
  281    HB2  ALA  34           HB2      ALA  34   4.758  16.237  -3.352
  282    HB3  ALA  34           HB3      ALA  34   4.225  16.556  -5.012
  283    H    THR  35           H        THR  35   0.972  15.765  -2.680
  284    HA   THR  35           HA       THR  35   1.762  14.973  -0.053
  285    HB   THR  35           HB       THR  35  -1.080  15.436  -1.038
  286    HG1  THR  35           HG1      THR  35  -0.682  17.639  -0.813
  287   HG21  THR  35          HG21      THR  35   0.342  16.150   1.570
  288   HG22  THR  35          HG22      THR  35  -1.363  16.482   1.183
  289   HG23  THR  35          HG23      THR  35  -0.805  14.812   1.344
  290    H    ALA  36           H        ALA  36  -0.302  13.487  -2.604
  291    HA   ALA  36           HA       ALA  36  -1.108  11.256  -0.964
  292    HB1  ALA  36           HB1      ALA  36  -2.467  12.100  -2.819
  293    HB2  ALA  36           HB2      ALA  36  -1.194  11.659  -3.984
  294    HB3  ALA  36           HB3      ALA  36  -2.049  10.394  -3.076
  295    H    VAL  37           H        VAL  37   1.620  11.801  -3.173
  296    HA   VAL  37           HA       VAL  37   2.610   9.042  -2.671
  297    HB   VAL  37           HB       VAL  37   2.866  10.460  -5.341
  298   HG11  VAL  37          HG11      VAL  37   3.411   8.218  -6.134
  299   HG12  VAL  37          HG12      VAL  37   4.430   8.550  -4.725
  300   HG13  VAL  37          HG13      VAL  37   3.008   7.508  -4.557
  301   HG21  VAL  37          HG21      VAL  37   0.462  10.152  -5.050
  302   HG22  VAL  37          HG22      VAL  37   1.085   8.979  -6.200
  303   HG23  VAL  37          HG23      VAL  37   0.709   8.465  -4.539
  304    HA   PRO  38           HA       PRO  38   5.382  12.433  -1.343
  305    HB2  PRO  38           HB2      PRO  38   6.378  11.358   0.972
  306    HB3  PRO  38           HB3      PRO  38   4.729  12.037   0.831
  307    HG2  PRO  38           HG2      PRO  38   5.568   9.127   0.586
  308    HG3  PRO  38           HG3      PRO  38   4.264   9.818   1.609
  309    HD2  PRO  38           HD2      PRO  38   3.741   8.742  -0.827
  310    HD3  PRO  38           HD3      PRO  38   2.875  10.204  -0.263
  311    H    ASP  39           H        ASP  39   6.250   9.360  -2.588
  312    HA   ASP  39           HA       ASP  39   9.017  10.299  -2.959
  313    HB2  ASP  39           HB2      ASP  39   9.123   8.809  -0.974
  314    HB3  ASP  39           HB3      ASP  39   8.362   7.515  -1.909
  315    H    LYS  40           H        LYS  40   9.762   9.807  -4.969
  316    HA   LYS  40           HA       LYS  40   7.771   9.327  -6.911
  317    HB2  LYS  40           HB2      LYS  40  10.797   9.420  -7.209
  318    HB3  LYS  40           HB3      LYS  40   9.637   9.473  -8.540
  319    HG2  LYS  40           HG2      LYS  40   8.640  11.552  -7.615
  320    HG3  LYS  40           HG3      LYS  40   9.828  11.532  -6.297
  321    HD2  LYS  40           HD2      LYS  40  11.660  11.596  -8.033
  322    HD3  LYS  40           HD3      LYS  40  10.425  11.843  -9.270
  323    HE2  LYS  40           HE2      LYS  40  10.941  13.651  -6.858
  324    HE3  LYS  40           HE3      LYS  40  11.524  13.951  -8.496
  325    HZ1  LYS  40           HZ1      LYS  40   9.225  14.100  -9.238
  326    HZ2  LYS  40           HZ2      LYS  40   8.672  13.862  -7.705
  327    HZ3  LYS  40           HZ3      LYS  40   9.532  15.201  -8.068
  328    H    ASN  41           H        ASN  41   9.812   6.981  -5.278
  329    HA   ASN  41           HA       ASN  41   9.764   5.108  -7.488
  330    HB2  ASN  41           HB2      ASN  41  11.126   3.798  -6.310
  331    HB3  ASN  41           HB3      ASN  41  11.420   5.256  -5.379
  332   HD21  ASN  41          HD22      ASN  41  10.053   5.493  -3.340
  333   HD22  ASN  41          HD21      ASN  41   9.599   4.028  -2.472
  334    H    ASP  42           H        ASP  42   7.388   5.998  -5.093
  335    HA   ASP  42           HA       ASP  42   6.290   3.360  -4.713
  336    HB2  ASP  42           HB2      ASP  42   6.020   5.261  -3.111
  337    HB3  ASP  42           HB3      ASP  42   4.930   6.032  -4.279
  338    H    THR  43           H        THR  43   4.371   2.451  -5.602
  339    HA   THR  43           HA       THR  43   4.129   3.080  -8.427
  340    HB   THR  43           HB       THR  43   2.376   1.078  -7.027
  341    HG1  THR  43           HG1      THR  43   4.083   0.383  -6.127
  342   HG21  THR  43          HG21      THR  43   3.889   0.977  -9.668
  343   HG22  THR  43          HG22      THR  43   2.811  -0.285  -9.032
  344   HG23  THR  43          HG23      THR  43   2.153   1.295  -9.470
  345    H    VAL  44           H        VAL  44   2.122   3.635  -9.533
  346    HA   VAL  44           HA       VAL  44  -0.171   4.394  -7.806
  347    HB   VAL  44           HB       VAL  44   0.813   6.177 -10.060
  348   HG11  VAL  44          HG11      VAL  44  -1.588   6.341  -9.534
  349   HG12  VAL  44          HG12      VAL  44  -1.207   6.580  -7.822
  350   HG13  VAL  44          HG13      VAL  44  -0.751   7.810  -9.029
  351   HG21  VAL  44          HG21      VAL  44   1.540   7.820  -8.344
  352   HG22  VAL  44          HG22      VAL  44   1.283   6.597  -7.077
  353   HG23  VAL  44          HG23      VAL  44   2.533   6.367  -8.321
  354    H    LYS  45           H        LYS  45  -2.109   3.831  -8.722
  355    HA   LYS  45           HA       LYS  45  -2.106   2.804 -11.533
  356    HB2  LYS  45           HB2      LYS  45  -3.848   2.055  -9.135
  357    HB3  LYS  45           HB3      LYS  45  -4.128   1.510 -10.783
  358    HG2  LYS  45           HG2      LYS  45  -1.627   0.898  -9.138
  359    HG3  LYS  45           HG3      LYS  45  -3.014  -0.175  -9.345
  360    HD2  LYS  45           HD2      LYS  45  -2.596  -0.312 -11.776
  361    HD3  LYS  45           HD3      LYS  45  -1.253   0.825 -11.630
  362    HE2  LYS  45           HE2      LYS  45  -0.400  -1.429 -11.813
  363    HE3  LYS  45           HE3      LYS  45   0.017  -0.730 -10.246
  364    HZ1  LYS  45           HZ1      LYS  45  -0.772  -3.048 -10.143
  365    HZ2  LYS  45           HZ2      LYS  45  -1.652  -2.054  -9.200
  366    HZ3  LYS  45           HZ3      LYS  45  -2.254  -2.592 -10.645
  367    H    VAL  46           H        VAL  46  -2.714   4.534 -12.712
  368    HA   VAL  46           HA       VAL  46  -4.776   6.339 -11.570
  369    HB   VAL  46           HB       VAL  46  -4.257   7.859 -13.432
  370   HG11  VAL  46          HG11      VAL  46  -1.857   7.149 -11.705
  371   HG12  VAL  46          HG12      VAL  46  -2.172   8.710 -12.487
  372   HG13  VAL  46          HG13      VAL  46  -3.243   8.137 -11.200
  373   HG21  VAL  46          HG21      VAL  46  -1.875   6.046 -14.014
  374   HG22  VAL  46          HG22      VAL  46  -3.263   6.317 -15.090
  375   HG23  VAL  46          HG23      VAL  46  -2.174   7.649 -14.707
  376    H    TYR  47           H        TYR  47  -6.750   6.608 -12.512
  377    HA   TYR  47           HA       TYR  47  -7.422   5.478 -15.070
  378    HB2  TYR  47           HB2      TYR  47  -9.075   3.960 -14.426
  379    HB3  TYR  47           HB3      TYR  47  -7.669   3.489 -13.495
  380    HD1  TYR  47           HD1      TYR  47  -7.552   4.626 -11.022
  381    HD2  TYR  47           HD2      TYR  47 -11.135   4.099 -13.380
  382    HE1  TYR  47           HE1      TYR  47  -8.926   4.979  -9.003
  383    HE2  TYR  47           HE2      TYR  47 -12.511   4.403 -11.346
  384    HH   TYR  47           HH       TYR  47 -11.078   5.245  -8.178
  385    H    CYS  48           H        CYS  48  -9.929   6.080 -15.354
  386    HA   CYS  48           HA       CYS  48 -11.070   7.867 -13.478
  387    HB2  CYS  48           HB2      CYS  48 -11.203   9.915 -14.918
  388    HB3  CYS  48           HB3      CYS  48  -9.554   9.546 -14.425
  389    HG   CYS  48           HG       CYS  48  -8.945   8.171 -16.572
  390    H    ASN  49           H        ASN  49 -13.047   8.984 -14.760
  391    HA   ASN  49           HA       ASN  49 -14.921   7.051 -15.298
  392    HB2  ASN  49           HB2      ASN  49 -15.221   9.534 -14.847
  393    HB3  ASN  49           HB3      ASN  49 -14.885   9.830 -16.548
  394   HD21  ASN  49          HD22      ASN  49 -16.390   7.580 -17.700
  395   HD22  ASN  49          HD21      ASN  49 -18.076   7.937 -17.398
  396    H    ALA  50           H        ALA  50 -12.907   8.739 -17.738
  397    HA   ALA  50           HA       ALA  50 -13.825   6.799 -19.818
  398    HB1  ALA  50           HB1      ALA  50 -14.946   9.012 -19.961
  399    HB2  ALA  50           HB2      ALA  50 -13.356   9.798 -20.108
  400    HB3  ALA  50           HB3      ALA  50 -13.927   8.688 -21.371
  401    H    GLY  51           H        GLY  51 -11.202   7.070 -18.126
  402    HA2  GLY  51           HA2      GLY  51  -9.068   6.355 -18.487
  403    HA3  GLY  51           HA3      GLY  51  -9.453   6.139 -20.194
  404    H    ARG  52           H        ARG  52 -10.135   9.002 -20.666
  405    HA   ARG  52           HA       ARG  52  -7.560   9.828 -21.475
  406    HB2  ARG  52           HB2      ARG  52 -10.103  11.487 -21.211
  407    HB3  ARG  52           HB3      ARG  52  -8.617  12.020 -22.015
  408    HG2  ARG  52           HG2      ARG  52  -8.792  10.133 -23.620
  409    HG3  ARG  52           HG3      ARG  52 -10.275   9.590 -22.830
  410    HD2  ARG  52           HD2      ARG  52 -10.876  10.832 -24.820
  411    HD3  ARG  52           HD3      ARG  52 -11.384  11.729 -23.395
  412    HE   ARG  52           HE       ARG  52  -9.930  13.427 -23.896
  413   HH11  ARG  52          HH21      ARG  52  -9.148  10.678 -26.006
  414   HH12  ARG  52          HH22      ARG  52  -8.055  11.568 -26.997
  415   HH21  ARG  52          HH11      ARG  52  -8.469  14.610 -25.211
  416   HH22  ARG  52          HH12      ARG  52  -7.668  13.855 -26.535
  417    H    GLN  53           H        GLN  53  -9.249  10.964 -18.527
  418    HA   GLN  53           HA       GLN  53  -7.263  12.980 -18.071
  419    HB2  GLN  53           HB2      GLN  53  -8.984  11.597 -15.959
  420    HB3  GLN  53           HB3      GLN  53  -7.935  12.970 -15.704
  421    HG2  GLN  53           HG2      GLN  53  -9.999  13.982 -15.854
  422    HG3  GLN  53           HG3      GLN  53  -9.328  14.203 -17.479
  423   HE21  GLN  53          HE22      GLN  53 -10.339  13.002 -19.249
  424   HE22  GLN  53          HE21      GLN  53 -11.851  12.151 -19.027
  425    H    SER  54           H        SER  54  -7.435   9.522 -17.266
  426    HA   SER  54           HA       SER  54  -5.049   9.570 -15.625
  427    HB2  SER  54           HB2      SER  54  -5.317   6.988 -16.065
  428    HB3  SER  54           HB3      SER  54  -6.354   7.897 -14.965
  429    HG   SER  54           HG       SER  54  -7.014   7.246 -17.660
  430    H    GLY  55           H        GLY  55  -5.627   8.778 -19.096
  431    HA2  GLY  55           HA2      GLY  55  -2.935   7.968 -19.648
  432    HA3  GLY  55           HA3      GLY  55  -4.078   8.695 -20.800
  433    H    GLN  56           H        GLN  56  -4.577  11.148 -19.665
  434    HA   GLN  56           HA       GLN  56  -2.378  12.782 -20.361
  435    HB2  GLN  56           HB2      GLN  56  -5.124  13.087 -19.241
  436    HB3  GLN  56           HB3      GLN  56  -3.998  14.273 -18.630
  437    HG2  GLN  56           HG2      GLN  56  -5.230  15.019 -20.647
  438    HG3  GLN  56           HG3      GLN  56  -3.477  15.123 -20.779
  439   HE21  GLN  56          HE22      GLN  56  -5.791  12.340 -21.367
  440   HE22  GLN  56          HE21      GLN  56  -5.274  12.108 -23.022
  441    H    ALA  57           H        ALA  57  -3.589  11.827 -17.088
  442    HA   ALA  57           HA       ALA  57  -1.597  13.197 -15.647
  443    HB1  ALA  57           HB1      ALA  57  -3.688  12.395 -14.639
  444    HB2  ALA  57           HB2      ALA  57  -3.148  10.705 -14.836
  445    HB3  ALA  57           HB3      ALA  57  -2.275  11.800 -13.747
  446    H    LYS  58           H        LYS  58  -1.576   9.800 -16.928
  447    HA   LYS  58           HA       LYS  58   0.782   8.982 -15.625
  448    HB2  LYS  58           HB2      LYS  58  -0.717   7.469 -16.899
  449    HB3  LYS  58           HB3      LYS  58  -0.175   8.206 -18.416
  450    HG2  LYS  58           HG2      LYS  58   2.146   7.450 -17.955
  451    HG3  LYS  58           HG3      LYS  58   1.616   6.733 -16.424
  452    HD2  LYS  58           HD2      LYS  58   0.178   5.147 -17.641
  453    HD3  LYS  58           HD3      LYS  58   0.586   5.934 -19.183
  454    HE2  LYS  58           HE2      LYS  58   2.996   5.390 -18.798
  455    HE3  LYS  58           HE3      LYS  58   2.561   4.538 -17.313
  456    HZ1  LYS  58           HZ1      LYS  58   2.821   3.048 -19.215
  457    HZ2  LYS  58           HZ2      LYS  58   1.299   2.958 -18.633
  458    HZ3  LYS  58           HZ3      LYS  58   1.613   3.785 -20.023
  459    H    GLU  59           H        GLU  59   0.429  10.858 -18.683
  460    HA   GLU  59           HA       GLU  59   3.215  10.827 -19.287
  461    HB2  GLU  59           HB2      GLU  59   1.010  12.771 -20.087
  462    HB3  GLU  59           HB3      GLU  59   2.670  12.849 -20.691
  463    HG2  GLU  59           HG2      GLU  59   2.461  10.503 -21.529
  464    HG3  GLU  59           HG3      GLU  59   0.771  10.489 -21.032
  465    H    ILE  60           H        ILE  60   1.261  13.454 -17.566
  466    HA   ILE  60           HA       ILE  60   3.612  15.005 -17.233
  467    HB   ILE  60           HB       ILE  60   2.337  16.426 -15.849
  468   HG12  ILE  60          HG12      ILE  60   0.389  14.146 -15.517
  469   HG13  ILE  60          HG13      ILE  60   1.315  14.965 -14.254
  470   HG21  ILE  60          HG21      ILE  60   0.563  17.028 -17.344
  471   HG22  ILE  60          HG22      ILE  60   1.859  16.334 -18.317
  472   HG23  ILE  60          HG23      ILE  60   0.411  15.370 -17.952
  473   HD11  ILE  60          HD11      ILE  60  -1.017  16.077 -15.828
  474   HD12  ILE  60          HD12      ILE  60  -0.957  15.618 -14.118
  475   HD13  ILE  60          HD13      ILE  60  -0.024  17.023 -14.674
  476    H    LEU  61           H        LEU  61   2.155  12.462 -15.150
  477    HA   LEU  61           HA       LEU  61   3.881  13.105 -12.926
  478    HB2  LEU  61           HB2      LEU  61   2.344  10.565 -13.567
  479    HB3  LEU  61           HB3      LEU  61   3.195  10.896 -12.052
  480    HG   LEU  61           HG       LEU  61   0.781  12.425 -13.104
  481   HD11  LEU  61          HD11      LEU  61  -0.355  11.469 -11.153
  482   HD12  LEU  61          HD12      LEU  61   0.272  10.191 -12.201
  483   HD13  LEU  61          HD13      LEU  61   1.125  10.596 -10.695
  484   HD21  LEU  61          HD21      LEU  61   2.172  14.025 -11.960
  485   HD22  LEU  61          HD22      LEU  61   0.787  13.605 -10.970
  486   HD23  LEU  61          HD23      LEU  61   2.391  12.915 -10.586
  487    H    SER  62           H        SER  62   4.198  10.922 -15.746
  488    HA   SER  62           HA       SER  62   6.658   9.722 -14.876
  489    HB2  SER  62           HB2      SER  62   5.680  10.277 -17.711
  490    HB3  SER  62           HB3      SER  62   6.971   9.159 -17.236
  491    HG   SER  62           HG       SER  62   4.192   9.016 -16.707
  492    H    GLU  63           H        GLU  63   5.905  12.752 -16.716
  493    HA   GLU  63           HA       GLU  63   8.624  13.502 -17.129
  494    HB2  GLU  63           HB2      GLU  63   6.648  14.407 -18.342
  495    HB3  GLU  63           HB3      GLU  63   6.161  15.283 -16.886
  496    HG2  GLU  63           HG2      GLU  63   8.259  16.580 -16.937
  497    HG3  GLU  63           HG3      GLU  63   8.822  15.646 -18.326
  498    H    MET  64           H        MET  64   6.360  14.125 -14.424
  499    HA   MET  64           HA       MET  64   8.205  15.668 -12.830
  500    HB2  MET  64           HB2      MET  64   5.665  14.135 -12.163
  501    HB3  MET  64           HB3      MET  64   6.559  15.088 -10.981
  502    HG2  MET  64           HG2      MET  64   6.192  17.131 -12.171
  503    HG3  MET  64           HG3      MET  64   5.571  16.289 -13.581
  504    HE1  MET  64           HE1      MET  64   4.855  17.463  -9.915
  505    HE2  MET  64           HE2      MET  64   3.225  16.826  -9.611
  506    HE3  MET  64           HE3      MET  64   4.603  15.713  -9.706
  507    H    GLY  65           H        GLY  65   8.439  12.425 -13.735
  508    HA2  GLY  65           HA2      GLY  65  10.318  11.205 -13.229
  509    HA3  GLY  65           HA3      GLY  65  10.530  12.079 -11.710
  510    H    TYR  66           H        TYR  66   7.273  10.965 -11.977
  511    HA   TYR  66           HA       TYR  66   7.762   8.790 -10.054
  512    HB2  TYR  66           HB2      TYR  66   5.206   9.791 -11.359
  513    HB3  TYR  66           HB3      TYR  66   5.325   8.438 -10.237
  514    HD1  TYR  66           HD1      TYR  66   5.589  12.143 -10.505
  515    HD2  TYR  66           HD2      TYR  66   5.602   8.716  -7.883
  516    HE1  TYR  66           HE1      TYR  66   5.330  13.644  -8.541
  517    HE2  TYR  66           HE2      TYR  66   5.396  10.208  -5.925
  518    HH   TYR  66           HH       TYR  66   5.079  12.346  -5.185
  519    H    THR  67           H        THR  67   9.135   7.464 -11.354
  520    HA   THR  67           HA       THR  67   8.442   6.578 -13.954
  521    HB   THR  67           HB       THR  67  10.421   4.936 -13.326
  522    HG1  THR  67           HG1      THR  67  10.519   5.098 -11.133
  523   HG21  THR  67          HG21      THR  67  12.031   6.769 -13.622
  524   HG22  THR  67          HG22      THR  67  10.649   6.979 -14.708
  525   HG23  THR  67          HG23      THR  67  10.777   7.968 -13.236
  526    H    HIS  68           H        HIS  68   6.523   5.843 -11.511
  527    HA   HIS  68           HA       HIS  68   6.120   3.009 -12.268
  528    HB2  HIS  68           HB2      HIS  68   6.140   4.028  -9.397
  529    HB3  HIS  68           HB3      HIS  68   5.964   2.354  -9.923
  530    HD1  HIS  68           HD1      HIS  68   8.288   1.069 -10.540
  531    HD2  HIS  68           HD2      HIS  68   8.586   5.153  -9.572
  532    HE1  HIS  68           HE1      HIS  68  10.773   1.565 -10.298
  533    H    VAL  69           H        VAL  69   4.722   5.380 -13.057
  534    HA   VAL  69           HA       VAL  69   2.042   4.993 -11.812
  535    HB   VAL  69           HB       VAL  69   2.927   6.963 -13.972
  536   HG11  VAL  69          HG11      VAL  69   0.738   8.065 -13.459
  537   HG12  VAL  69          HG12      VAL  69   0.535   6.452 -14.146
  538   HG13  VAL  69          HG13      VAL  69   0.325   6.702 -12.400
  539   HG21  VAL  69          HG21      VAL  69   2.628   8.671 -12.162
  540   HG22  VAL  69          HG22      VAL  69   2.463   7.366 -10.980
  541   HG23  VAL  69          HG23      VAL  69   3.975   7.577 -11.874
  542    H    GLU  70           H        GLU  70   0.519   3.761 -12.912
  543    HA   GLU  70           HA       GLU  70   0.990   3.190 -15.765
  544    HB2  GLU  70           HB2      GLU  70   1.847   1.220 -14.544
  545    HB3  GLU  70           HB3      GLU  70   0.335   1.097 -13.644
  546    HG2  GLU  70           HG2      GLU  70   0.422  -0.564 -15.426
  547    HG3  GLU  70           HG3      GLU  70  -0.892   0.563 -15.711
  548    H    ASN  71           H        ASN  71  -0.955   2.932 -16.917
  549    HA   ASN  71           HA       ASN  71  -3.312   4.082 -15.547
  550    HB2  ASN  71           HB2      ASN  71  -2.902   5.170 -17.638
  551    HB3  ASN  71           HB3      ASN  71  -2.717   3.621 -18.481
  552   HD21  ASN  71          HD22      ASN  71  -5.291   4.692 -16.088
  553   HD22  ASN  71          HD21      ASN  71  -6.602   4.434 -17.211
  554    H    ALA  72           H        ALA  72  -4.523   2.598 -14.521
  555    HA   ALA  72           HA       ALA  72  -4.373  -0.220 -15.040
  556    HB1  ALA  72           HB1      ALA  72  -6.260  -0.352 -13.447
  557    HB2  ALA  72           HB2      ALA  72  -4.970   0.701 -12.841
  558    HB3  ALA  72           HB3      ALA  72  -6.455   1.412 -13.520
  559    H    GLY  73           H        GLY  73  -6.538   2.351 -16.249
  560    HA2  GLY  73           HA2      GLY  73  -7.381   1.368 -18.600
  561    HA3  GLY  73           HA3      GLY  73  -8.414   0.472 -17.469
  562    H    GLY  74           H        GLY  74 -10.262   1.560 -18.264
  563    HA2  GLY  74           HA2      GLY  74 -10.669   4.291 -17.126
  564    HA3  GLY  74           HA3      GLY  74 -11.527   3.705 -18.563
  565    H    LEU  75           H        LEU  75 -12.836   4.480 -16.207
  566    HA   LEU  75           HA       LEU  75 -13.247   2.907 -14.114
  567    HB2  LEU  75           HB2      LEU  75 -14.321   5.045 -14.440
  568    HB3  LEU  75           HB3      LEU  75 -15.321   4.416 -15.751
  569    HG   LEU  75           HG       LEU  75 -16.548   2.968 -14.124
  570   HD11  LEU  75          HD11      LEU  75 -14.894   2.623 -12.377
  571   HD12  LEU  75          HD12      LEU  75 -14.760   4.366 -12.089
  572   HD13  LEU  75          HD13      LEU  75 -16.255   3.502 -11.677
  573   HD21  LEU  75          HD21      LEU  75 -17.790   4.803 -13.101
  574   HD22  LEU  75          HD22      LEU  75 -16.464   5.935 -13.444
  575   HD23  LEU  75          HD23      LEU  75 -17.373   5.185 -14.773
  576    H    LYS  76           H        LYS  76 -15.052   2.294 -17.178
  577    HA   LYS  76           HA       LYS  76 -16.583   0.152 -15.968
  578    HB2  LYS  76           HB2      LYS  76 -16.191   0.863 -18.909
  579    HB3  LYS  76           HB3      LYS  76 -17.423  -0.219 -18.269
  580    HG2  LYS  76           HG2      LYS  76 -17.219   2.778 -17.725
  581    HG3  LYS  76           HG3      LYS  76 -18.360   1.972 -18.800
  582    HD2  LYS  76           HD2      LYS  76 -19.332   0.756 -16.844
  583    HD3  LYS  76           HD3      LYS  76 -18.240   1.655 -15.765
  584    HE2  LYS  76           HE2      LYS  76 -19.207   3.791 -16.520
  585    HE3  LYS  76           HE3      LYS  76 -20.271   2.933 -17.643
  586    HZ1  LYS  76           HZ1      LYS  76 -21.412   3.504 -15.597
  587    HZ2  LYS  76           HZ2      LYS  76 -21.330   1.882 -15.731
  588    HZ3  LYS  76           HZ3      LYS  76 -20.342   2.669 -14.680
  589    H    ASP  77           H        ASP  77 -13.381   0.227 -17.290
  590    HA   ASP  77           HA       ASP  77 -13.421  -2.618 -18.081
  591    HB2  ASP  77           HB2      ASP  77 -12.276  -0.939 -19.492
  592    HB3  ASP  77           HB3      ASP  77 -11.208  -0.535 -18.146
  593    H    ILE  78           H        ILE  78 -12.529  -0.621 -15.304
  594    HA   ILE  78           HA       ILE  78 -10.497  -2.307 -14.245
  595    HB   ILE  78           HB       ILE  78 -12.403  -0.743 -12.484
  596   HG12  ILE  78          HG12      ILE  78 -11.924   0.882 -14.184
  597   HG13  ILE  78          HG13      ILE  78 -11.107   1.291 -12.699
  598   HG21  ILE  78          HG21      ILE  78  -9.415  -1.368 -12.352
  599   HG22  ILE  78          HG22      ILE  78 -10.289  -0.375 -11.176
  600   HG23  ILE  78          HG23      ILE  78 -10.692  -2.078 -11.354
  601   HD11  ILE  78          HD11      ILE  78  -8.953   0.580 -13.612
  602   HD12  ILE  78          HD12      ILE  78  -9.742   0.003 -15.105
  603   HD13  ILE  78          HD13      ILE  78  -9.743   1.728 -14.705
  604    H    ALA  79           H        ALA  79 -10.637  -4.264 -13.141
  605    HA   ALA  79           HA       ALA  79 -13.176  -5.644 -13.065
  606    HB1  ALA  79           HB1      ALA  79 -11.032  -6.775 -13.568
  607    HB2  ALA  79           HB2      ALA  79 -10.454  -6.419 -11.920
  608    HB3  ALA  79           HB3      ALA  79 -11.838  -7.504 -12.167
  609    H    MET  80           H        MET  80 -11.574  -3.584 -10.792
  610    HA   MET  80           HA       MET  80 -12.266  -4.837  -8.346
  611    HB2  MET  80           HB2      MET  80 -11.720  -1.915  -9.019
  612    HB3  MET  80           HB3      MET  80 -11.843  -2.544  -7.380
  613    HG2  MET  80           HG2      MET  80  -9.780  -3.407  -9.437
  614    HG3  MET  80           HG3      MET  80  -9.510  -2.272  -8.124
  615    HE1  MET  80           HE1      MET  80 -10.799  -3.486  -5.528
  616    HE2  MET  80           HE2      MET  80  -9.427  -4.439  -4.931
  617    HE3  MET  80           HE3      MET  80  -9.146  -2.844  -5.661
  618    HA   PRO  81           HA       PRO  81 -16.560  -3.545  -7.670
  619    HB2  PRO  81           HB2      PRO  81 -15.656  -2.817  -4.889
  620    HB3  PRO  81           HB3      PRO  81 -17.040  -3.835  -5.391
  621    HG2  PRO  81           HG2      PRO  81 -14.771  -4.956  -4.402
  622    HG3  PRO  81           HG3      PRO  81 -15.615  -5.697  -5.801
  623    HD2  PRO  81           HD2      PRO  81 -13.186  -3.889  -5.820
  624    HD3  PRO  81           HD3      PRO  81 -13.474  -5.415  -6.712
  625    H    LYS  82           H        LYS  82 -17.814  -1.560  -7.051
  626    HA   LYS  82           HA       LYS  82 -16.200   0.929  -6.995
  627    HB2  LYS  82           HB2      LYS  82 -18.608   0.450  -8.814
  628    HB3  LYS  82           HB3      LYS  82 -17.827   1.992  -8.525
  629    HG2  LYS  82           HG2      LYS  82 -16.799   1.493 -10.471
  630    HG3  LYS  82           HG3      LYS  82 -15.638   0.752  -9.368
  631    HD2  LYS  82           HD2      LYS  82 -16.799  -1.454  -9.742
  632    HD3  LYS  82           HD3      LYS  82 -17.882  -0.662 -10.895
  633    HE2  LYS  82           HE2      LYS  82 -16.058  -0.167 -12.405
  634    HE3  LYS  82           HE3      LYS  82 -14.853  -0.582 -11.173
  635    HZ1  LYS  82           HZ1      LYS  82 -15.105  -2.380 -12.747
  636    HZ2  LYS  82           HZ2      LYS  82 -15.548  -2.843 -11.253
  637    HZ3  LYS  82           HZ3      LYS  82 -16.706  -2.540 -12.396
  638    H    VAL  83           H        VAL  83 -17.411   2.783  -6.299
  639    HA   VAL  83           HA       VAL  83 -19.833   2.375  -4.679
  640    HB   VAL  83           HB       VAL  83 -18.803   3.522  -2.760
  641   HG11  VAL  83          HG11      VAL  83 -17.171   1.050  -3.455
  642   HG12  VAL  83          HG12      VAL  83 -17.508   1.711  -1.843
  643   HG13  VAL  83          HG13      VAL  83 -18.827   1.041  -2.812
  644   HG21  VAL  83          HG21      VAL  83 -17.021   4.801  -3.809
  645   HG22  VAL  83          HG22      VAL  83 -16.331   3.754  -2.570
  646   HG23  VAL  83          HG23      VAL  83 -16.168   3.331  -4.292
  647    H    LYS  84           H        LYS  84 -20.279   4.816  -3.754
  648    HA   LYS  84           HA       LYS  84 -19.675   6.834  -5.839
  649    HB2  LYS  84           HB2      LYS  84 -22.451   6.203  -4.736
  650    HB3  LYS  84           HB3      LYS  84 -22.043   7.611  -5.724
  651    HG2  LYS  84           HG2      LYS  84 -21.314   6.084  -7.563
  652    HG3  LYS  84           HG3      LYS  84 -21.889   4.702  -6.627
  653    HD2  LYS  84           HD2      LYS  84 -23.601   7.037  -7.588
  654    HD3  LYS  84           HD3      LYS  84 -23.496   5.446  -8.356
  655    HE2  LYS  84           HE2      LYS  84 -24.352   4.383  -6.269
  656    HE3  LYS  84           HE3      LYS  84 -24.502   5.980  -5.523
  657    HZ1  LYS  84           HZ1      LYS  84 -26.117   6.558  -7.241
  658    HZ2  LYS  84           HZ2      LYS  84 -25.982   5.079  -7.926
  659    HZ3  LYS  84           HZ3      LYS  84 -26.603   5.233  -6.429
  660    H    GLY  85           H        GLY  85 -20.545   9.047  -4.897
  661    HA2  GLY  85           HA2      GLY  85 -19.168   9.649  -2.475
  662    HA3  GLY  85           HA3      GLY  85 -20.356  10.672  -3.305
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1   4.198  -2.602  -3.099
    2    H2   ALA   1           H2       ALA   1   2.950  -2.812  -4.143
    3    H3   ALA   1           H3       ALA   1   4.289  -2.014  -4.633
    4    HA   ALA   1           HA       ALA   1   2.383  -1.105  -2.596
    5    HB1  ALA   1           HB1      ALA   1   3.669   0.995  -2.542
    6    HB2  ALA   1           HB2      ALA   1   4.682  -0.368  -2.045
    7    HB3  ALA   1           HB3      ALA   1   4.861   0.324  -3.674
    8    H    GLU   2           H        GLU   2   0.604  -0.073  -3.453
    9    HA   GLU   2           HA       GLU   2   0.816   1.290  -6.017
   10    HB2  GLU   2           HB2      GLU   2  -1.067   0.152  -7.038
   11    HB3  GLU   2           HB3      GLU   2   0.166  -1.041  -6.636
   12    HG2  GLU   2           HG2      GLU   2  -1.184  -1.525  -4.494
   13    HG3  GLU   2           HG3      GLU   2  -2.459  -0.516  -5.180
   14    H    HIS   3           H        HIS   3  -0.924   2.785  -6.331
   15    HA   HIS   3           HA       HIS   3  -2.985   3.002  -4.226
   16    HB2  HIS   3           HB2      HIS   3  -1.127   5.257  -5.093
   17    HB3  HIS   3           HB3      HIS   3  -2.720   5.542  -4.403
   18    HD1  HIS   3           HD1      HIS   3  -3.018   4.210  -1.819
   19    HD2  HIS   3           HD2      HIS   3   0.756   5.355  -3.289
   20    HE1  HIS   3           HE1      HIS   3  -1.475   4.343   0.196
   21    H    TRP   4           H        TRP   4  -4.871   3.022  -5.246
   22    HA   TRP   4           HA       TRP   4  -5.090   3.548  -8.138
   23    HB2  TRP   4           HB2      TRP   4  -7.111   2.737  -6.001
   24    HB3  TRP   4           HB3      TRP   4  -7.526   3.080  -7.667
   25    HD1  TRP   4           HD1      TRP   4  -5.067   0.690  -5.817
   26    HE1  TRP   4           HE1      TRP   4  -4.823  -1.468  -7.119
   27    HE3  TRP   4           HE3      TRP   4  -8.205   1.779  -9.725
   28    HZ2  TRP   4           HZ2      TRP   4  -6.068  -2.714  -9.444
   29    HZ3  TRP   4           HZ3      TRP   4  -8.636   0.079 -11.474
   30    HH2  TRP   4           HH2      TRP   4  -7.577  -2.162 -11.350
   31    H    ILE   5           H        ILE   5  -5.322   5.592  -8.810
   32    HA   ILE   5           HA       ILE   5  -6.318   7.671  -6.911
   33    HB   ILE   5           HB       ILE   5  -3.867   7.659  -8.703
   34   HG12  ILE   5          HG12      ILE   5  -3.956   8.525  -5.789
   35   HG13  ILE   5          HG13      ILE   5  -3.912   6.807  -6.162
   36   HG21  ILE   5          HG21      ILE   5  -3.556  10.056  -8.026
   37   HG22  ILE   5          HG22      ILE   5  -4.986   9.820  -9.021
   38   HG23  ILE   5          HG23      ILE   5  -5.170  10.024  -7.277
   39   HD11  ILE   5          HD11      ILE   5  -1.675   7.700  -5.748
   40   HD12  ILE   5          HD12      ILE   5  -1.836   7.052  -7.392
   41   HD13  ILE   5          HD13      ILE   5  -1.848   8.814  -7.117
   42    H    ASP   6           H        ASP   6  -8.265   8.086  -7.696
   43    HA   ASP   6           HA       ASP   6  -8.961   8.080 -10.525
   44    HB2  ASP   6           HB2      ASP   6 -10.524   7.693  -8.563
   45    HB3  ASP   6           HB3      ASP   6 -10.350   9.391  -8.149
   46    H    VAL   7           H        VAL   7  -8.389   9.763 -11.886
   47    HA   VAL   7           HA       VAL   7  -7.652  12.386 -10.672
   48    HB   VAL   7           HB       VAL   7  -6.208  12.767 -12.593
   49   HG11  VAL   7          HG11      VAL   7  -4.390  11.271 -12.010
   50   HG12  VAL   7          HG12      VAL   7  -5.260  11.717 -10.539
   51   HG13  VAL   7          HG13      VAL   7  -5.513  10.118 -11.265
   52   HG21  VAL   7          HG21      VAL   7  -7.373  11.228 -14.229
   53   HG22  VAL   7          HG22      VAL   7  -5.612  11.086 -14.175
   54   HG23  VAL   7          HG23      VAL   7  -6.616   9.857 -13.396
   55    H    ARG   8           H        ARG   8 -10.334  11.070 -11.912
   56    HA   ARG   8           HA       ARG   8 -11.041  13.091 -13.895
   57    HB2  ARG   8           HB2      ARG   8 -12.986  12.067 -14.112
   58    HB3  ARG   8           HB3      ARG   8 -12.104  10.730 -13.384
   59    HG2  ARG   8           HG2      ARG   8 -13.103  11.382 -11.155
   60    HG3  ARG   8           HG3      ARG   8 -14.071  12.557 -12.041
   61    HD2  ARG   8           HD2      ARG   8 -15.534  10.803 -12.196
   62    HD3  ARG   8           HD3      ARG   8 -14.581  10.415 -13.622
   63    HE   ARG   8           HE       ARG   8 -13.273   9.200 -11.476
   64   HH11  ARG   8          HH11      ARG   8 -16.660   8.988 -12.691
   65   HH12  ARG   8          HH12      ARG   8 -17.020   7.676 -11.607
   66   HH21  ARG   8          HH21      ARG   8 -13.860   7.623 -10.140
   67   HH22  ARG   8          HH22      ARG   8 -15.467   6.889 -10.198
   68    H    VAL   9           H        VAL   9 -12.711  14.718 -13.522
   69    HA   VAL   9           HA       VAL   9 -11.809  16.505 -11.584
   70    HB   VAL   9           HB       VAL   9 -13.781  17.896 -12.203
   71   HG11  VAL   9          HG11      VAL   9 -13.103  18.250 -14.510
   72   HG12  VAL   9          HG12      VAL   9 -11.679  17.918 -13.516
   73   HG13  VAL   9          HG13      VAL   9 -12.331  16.655 -14.583
   74   HG21  VAL   9          HG21      VAL   9 -15.279  17.184 -14.005
   75   HG22  VAL   9          HG22      VAL   9 -14.571  15.558 -13.989
   76   HG23  VAL   9          HG23      VAL   9 -15.477  16.163 -12.579
   77    HA   PRO  10           HA       PRO  10 -13.358  14.991  -7.916
   78    HB2  PRO  10           HB2      PRO  10 -14.145  17.133  -6.350
   79    HB3  PRO  10           HB3      PRO  10 -12.453  16.715  -6.738
   80    HG2  PRO  10           HG2      PRO  10 -14.237  18.755  -8.091
   81    HG3  PRO  10           HG3      PRO  10 -12.510  18.933  -7.586
   82    HD2  PRO  10           HD2      PRO  10 -13.243  18.393 -10.144
   83    HD3  PRO  10           HD3      PRO  10 -11.764  17.699  -9.439
   84    H    GLU  11           H        GLU  11 -15.758  17.202  -9.378
   85    HA   GLU  11           HA       GLU  11 -18.015  16.182  -7.908
   86    HB2  GLU  11           HB2      GLU  11 -17.680  17.702 -10.512
   87    HB3  GLU  11           HB3      GLU  11 -19.271  17.211  -9.886
   88    HG2  GLU  11           HG2      GLU  11 -18.805  18.461  -7.777
   89    HG3  GLU  11           HG3      GLU  11 -17.246  18.973  -8.423
   90    H    GLN  12           H        GLN  12 -16.217  14.898 -10.675
   91    HA   GLN  12           HA       GLN  12 -18.498  13.196 -11.505
   92    HB2  GLN  12           HB2      GLN  12 -15.729  13.712 -12.690
   93    HB3  GLN  12           HB3      GLN  12 -16.746  12.358 -13.185
   94    HG2  GLN  12           HG2      GLN  12 -18.574  13.889 -13.804
   95    HG3  GLN  12           HG3      GLN  12 -17.612  15.272 -13.290
   96   HE21  GLN  12          HE22      GLN  12 -18.119  15.934 -15.618
   97   HE22  GLN  12          HE21      GLN  12 -17.019  15.391 -16.859
   98    H    TYR  13           H        TYR  13 -15.336  13.137  -9.825
   99    HA   TYR  13           HA       TYR  13 -15.025  10.382  -9.575
  100    HB2  TYR  13           HB2      TYR  13 -13.173  11.358  -8.761
  101    HB3  TYR  13           HB3      TYR  13 -14.020  12.788  -8.226
  102    HD1  TYR  13           HD1      TYR  13 -13.455   9.179  -7.232
  103    HD2  TYR  13           HD2      TYR  13 -14.288  13.222  -5.953
  104    HE1  TYR  13           HE1      TYR  13 -13.111   8.521  -4.875
  105    HE2  TYR  13           HE2      TYR  13 -14.047  12.538  -3.594
  106    HH   TYR  13           HH       TYR  13 -13.534  10.793  -2.130
  107    H    GLN  14           H        GLN  14 -16.872  12.606  -7.470
  108    HA   GLN  14           HA       GLN  14 -17.567  10.723  -5.513
  109    HB2  GLN  14           HB2      GLN  14 -18.907  13.292  -6.447
  110    HB3  GLN  14           HB3      GLN  14 -19.465  12.393  -5.031
  111    HG2  GLN  14           HG2      GLN  14 -17.405  12.713  -3.854
  112    HG3  GLN  14           HG3      GLN  14 -16.577  13.296  -5.292
  113   HE21  GLN  14          HE22      GLN  14 -16.769  15.432  -5.941
  114   HE22  GLN  14          HE21      GLN  14 -17.606  16.654  -4.988
  115    H    GLN  15           H        GLN  15 -18.899  10.980  -8.748
  116    HA   GLN  15           HA       GLN  15 -21.575  10.213  -8.117
  117    HB2  GLN  15           HB2      GLN  15 -20.067   9.864 -10.744
  118    HB3  GLN  15           HB3      GLN  15 -21.814   9.806 -10.525
  119    HG2  GLN  15           HG2      GLN  15 -20.010  12.230 -10.141
  120    HG3  GLN  15           HG3      GLN  15 -21.152  11.985 -11.440
  121   HE21  GLN  15          HE22      GLN  15 -20.782  13.960  -9.021
  122   HE22  GLN  15          HE21      GLN  15 -22.411  14.094  -8.374
  123    H    GLU  16           H        GLU  16 -18.719   8.265  -9.146
  124    HA   GLU  16           HA       GLU  16 -19.364   6.106  -7.470
  125    HB2  GLU  16           HB2      GLU  16 -21.118   5.577  -9.169
  126    HB3  GLU  16           HB3      GLU  16 -19.894   5.569 -10.443
  127    HG2  GLU  16           HG2      GLU  16 -18.951   3.573  -9.690
  128    HG3  GLU  16           HG3      GLU  16 -19.516   3.796  -8.028
  129    H    HIS  17           H        HIS  17 -17.389   4.898  -7.240
  130    HA   HIS  17           HA       HIS  17 -15.249   5.270  -9.227
  131    HB2  HIS  17           HB2      HIS  17 -13.772   6.376  -7.812
  132    HB3  HIS  17           HB3      HIS  17 -15.268   7.241  -7.567
  133    HD1  HIS  17           HD1      HIS  17 -16.658   5.719  -5.224
  134    HD2  HIS  17           HD2      HIS  17 -12.489   6.139  -5.644
  135    HE1  HIS  17           HE1      HIS  17 -15.680   5.577  -2.876
  136    H    VAL  18           H        VAL  18 -13.296   3.952  -8.641
  137    HA   VAL  18           HA       VAL  18 -14.077   1.265  -7.959
  138    HB   VAL  18           HB       VAL  18 -11.315   2.535  -8.261
  139   HG11  VAL  18          HG11      VAL  18 -10.588   0.177  -8.728
  140   HG12  VAL  18          HG12      VAL  18 -11.120   0.430  -7.064
  141   HG13  VAL  18          HG13      VAL  18 -12.203  -0.375  -8.216
  142   HG21  VAL  18          HG21      VAL  18 -12.685   2.724 -10.349
  143   HG22  VAL  18          HG22      VAL  18 -11.327   1.626 -10.527
  144   HG23  VAL  18          HG23      VAL  18 -12.968   0.971 -10.300
  145    H    GLN  19           H        GLN  19 -14.103   0.321  -5.955
  146    HA   GLN  19           HA       GLN  19 -14.030   2.034  -3.686
  147    HB2  GLN  19           HB2      GLN  19 -14.443   0.050  -2.356
  148    HB3  GLN  19           HB3      GLN  19 -15.454   0.065  -3.799
  149    HG2  GLN  19           HG2      GLN  19 -13.932  -1.590  -4.879
  150    HG3  GLN  19           HG3      GLN  19 -12.927  -1.595  -3.430
  151   HE21  GLN  19          HE22      GLN  19 -13.275  -3.510  -2.333
  152   HE22  GLN  19          HE21      GLN  19 -14.841  -4.222  -2.048
  153    H    GLY  20           H        GLY  20 -12.598   2.238  -1.961
  154    HA2  GLY  20           HA2      GLY  20 -10.662   2.073  -0.756
  155    HA3  GLY  20           HA3      GLY  20 -10.100   0.783  -1.825
  156    H    ALA  21           H        ALA  21 -10.818   3.162  -4.003
  157    HA   ALA  21           HA       ALA  21  -8.067   4.032  -4.315
  158    HB1  ALA  21           HB1      ALA  21  -8.999   5.293  -6.227
  159    HB2  ALA  21           HB2      ALA  21  -9.610   3.626  -6.229
  160    HB3  ALA  21           HB3      ALA  21 -10.639   4.957  -5.657
  161    H    ILE  22           H        ILE  22  -7.729   6.440  -4.736
  162    HA   ILE  22           HA       ILE  22  -9.132   8.221  -2.808
  163    HB   ILE  22           HB       ILE  22  -6.814   7.641  -2.061
  164   HG12  ILE  22          HG12      ILE  22  -7.130  10.574  -2.821
  165   HG13  ILE  22          HG13      ILE  22  -7.889   9.778  -1.434
  166   HG21  ILE  22          HG21      ILE  22  -4.842   8.426  -3.248
  167   HG22  ILE  22          HG22      ILE  22  -5.768   7.397  -4.324
  168   HG23  ILE  22          HG23      ILE  22  -5.840   9.164  -4.514
  169   HD11  ILE  22          HD11      ILE  22  -5.939  10.949  -0.658
  170   HD12  ILE  22          HD12      ILE  22  -5.566   9.215  -0.593
  171   HD13  ILE  22          HD13      ILE  22  -4.913  10.228  -1.907
  172    H    ASN  23           H        ASN  23  -8.998  10.586  -3.732
  173    HA   ASN  23           HA       ASN  23  -8.888  10.538  -6.704
  174    HB2  ASN  23           HB2      ASN  23 -11.172  10.638  -6.236
  175    HB3  ASN  23           HB3      ASN  23 -10.972  11.827  -4.942
  176   HD21  ASN  23          HD22      ASN  23  -9.949  11.665  -8.486
  177   HD22  ASN  23          HD21      ASN  23 -10.719  13.182  -8.882
  178    H    ILE  24           H        ILE  24  -7.597  11.950  -7.538
  179    HA   ILE  24           HA       ILE  24  -6.858  14.415  -6.118
  180    HB   ILE  24           HB       ILE  24  -4.687  12.696  -7.366
  181   HG12  ILE  24          HG12      ILE  24  -5.346  12.761  -4.387
  182   HG13  ILE  24          HG13      ILE  24  -5.556  11.371  -5.446
  183   HG21  ILE  24          HG21      ILE  24  -4.542  14.896  -5.269
  184   HG22  ILE  24          HG22      ILE  24  -3.232  14.288  -6.297
  185   HG23  ILE  24          HG23      ILE  24  -4.556  15.244  -7.000
  186   HD11  ILE  24          HD11      ILE  24  -2.915  12.650  -4.684
  187   HD12  ILE  24          HD12      ILE  24  -3.532  11.047  -4.245
  188   HD13  ILE  24          HD13      ILE  24  -3.095  11.390  -5.929
  189    HA   PRO  25           HA       PRO  25  -8.658  14.562 -10.351
  190    HB2  PRO  25           HB2      PRO  25  -8.727  17.489  -9.598
  191    HB3  PRO  25           HB3      PRO  25  -9.964  16.510 -10.440
  192    HG2  PRO  25           HG2      PRO  25 -10.216  17.097  -7.795
  193    HG3  PRO  25           HG3      PRO  25 -10.617  15.457  -8.407
  194    HD2  PRO  25           HD2      PRO  25  -8.116  16.402  -7.001
  195    HD3  PRO  25           HD3      PRO  25  -9.027  14.884  -6.782
  196    H    LEU  26           H        LEU  26  -7.847  15.296 -12.405
  197    HA   LEU  26           HA       LEU  26  -5.168  15.801 -12.773
  198    HB2  LEU  26           HB2      LEU  26  -6.672  15.117 -14.537
  199    HB3  LEU  26           HB3      LEU  26  -7.555  16.648 -14.450
  200    HG   LEU  26           HG       LEU  26  -5.500  17.846 -15.257
  201   HD11  LEU  26          HD11      LEU  26  -3.770  16.224 -14.514
  202   HD12  LEU  26          HD12      LEU  26  -4.416  15.017 -15.647
  203   HD13  LEU  26          HD13      LEU  26  -3.659  16.515 -16.247
  204   HD21  LEU  26          HD21      LEU  26  -5.723  17.139 -17.572
  205   HD22  LEU  26          HD22      LEU  26  -6.447  15.596 -17.068
  206   HD23  LEU  26          HD23      LEU  26  -7.306  17.123 -16.790
  207    H    LYS  27           H        LYS  27  -7.679  18.280 -12.169
  208    HA   LYS  27           HA       LYS  27  -6.036  20.548 -12.713
  209    HB2  LYS  27           HB2      LYS  27  -8.571  20.403 -12.571
  210    HB3  LYS  27           HB3      LYS  27  -8.413  20.369 -10.808
  211    HG2  LYS  27           HG2      LYS  27  -7.340  22.603 -10.866
  212    HG3  LYS  27           HG3      LYS  27  -7.399  22.592 -12.640
  213    HD2  LYS  27           HD2      LYS  27  -9.878  22.513 -12.552
  214    HD3  LYS  27           HD3      LYS  27  -9.814  22.510 -10.774
  215    HE2  LYS  27           HE2      LYS  27  -8.650  24.707 -10.818
  216    HE3  LYS  27           HE3      LYS  27  -8.711  24.709 -12.585
  217    HZ1  LYS  27           HZ1      LYS  27 -11.133  24.754 -12.436
  218    HZ2  LYS  27           HZ2      LYS  27 -11.077  24.753 -10.801
  219    HZ3  LYS  27           HZ3      LYS  27 -10.496  26.022 -11.638
  220    H    GLU  28           H        GLU  28  -6.069  18.371  -9.986
  221    HA   GLU  28           HA       GLU  28  -4.786  20.368  -8.176
  222    HB2  GLU  28           HB2      GLU  28  -6.314  17.796  -7.588
  223    HB3  GLU  28           HB3      GLU  28  -5.676  18.907  -6.386
  224    HG2  GLU  28           HG2      GLU  28  -7.913  19.523  -8.381
  225    HG3  GLU  28           HG3      GLU  28  -8.127  19.126  -6.694
  226    H    VAL  29           H        VAL  29  -4.433  17.169  -9.677
  227    HA   VAL  29           HA       VAL  29  -2.783  15.965  -7.870
  228    HB   VAL  29           HB       VAL  29  -3.992  14.956  -9.786
  229   HG11  VAL  29          HG11      VAL  29  -1.573  15.673 -11.464
  230   HG12  VAL  29          HG12      VAL  29  -3.002  14.751 -11.971
  231   HG13  VAL  29          HG13      VAL  29  -3.153  16.473 -11.588
  232   HG21  VAL  29          HG21      VAL  29  -2.515  13.095 -10.159
  233   HG22  VAL  29          HG22      VAL  29  -1.104  14.051  -9.668
  234   HG23  VAL  29          HG23      VAL  29  -2.365  13.626  -8.480
  235    H    LYS  30           H        LYS  30  -1.635  18.221 -10.395
  236    HA   LYS  30           HA       LYS  30   1.100  17.579 -10.028
  237    HB2  LYS  30           HB2      LYS  30  -0.230  19.110 -11.814
  238    HB3  LYS  30           HB3      LYS  30   0.345  20.403 -10.758
  239    HG2  LYS  30           HG2      LYS  30   2.684  19.540 -11.035
  240    HG3  LYS  30           HG3      LYS  30   2.060  18.234 -12.060
  241    HD2  LYS  30           HD2      LYS  30   1.212  19.932 -13.680
  242    HD3  LYS  30           HD3      LYS  30   1.937  21.214 -12.680
  243    HE2  LYS  30           HE2      LYS  30   4.176  20.145 -12.959
  244    HE3  LYS  30           HE3      LYS  30   3.448  18.872 -13.942
  245    HZ1  LYS  30           HZ1      LYS  30   2.790  20.644 -15.531
  246    HZ2  LYS  30           HZ2      LYS  30   3.639  21.736 -14.653
  247    HZ3  LYS  30           HZ3      LYS  30   4.408  20.475 -15.373
  248    H    GLU  31           H        GLU  31  -1.033  19.306  -7.904
  249    HA   GLU  31           HA       GLU  31   1.222  20.586  -6.442
  250    HB2  GLU  31           HB2      GLU  31  -1.798  20.910  -6.170
  251    HB3  GLU  31           HB3      GLU  31  -0.581  21.850  -5.325
  252    HG2  GLU  31           HG2      GLU  31  -1.120  21.882  -8.325
  253    HG3  GLU  31           HG3      GLU  31  -1.530  23.136  -7.165
  254    H    ARG  32           H        ARG  32  -0.534  17.676  -6.377
  255    HA   ARG  32           HA       ARG  32  -0.368  17.499  -3.388
  256    HB2  ARG  32           HB2      ARG  32  -2.603  18.166  -4.134
  257    HB3  ARG  32           HB3      ARG  32  -2.703  16.761  -5.199
  258    HG2  ARG  32           HG2      ARG  32  -2.767  15.245  -3.329
  259    HG3  ARG  32           HG3      ARG  32  -2.351  16.542  -2.184
  260    HD2  ARG  32           HD2      ARG  32  -4.485  17.581  -2.420
  261    HD3  ARG  32           HD3      ARG  32  -4.863  16.659  -3.875
  262    HE   ARG  32           HE       ARG  32  -4.530  15.377  -1.190
  263   HH11  ARG  32          HH11      ARG  32  -6.674  15.943  -3.969
  264   HH12  ARG  32          HH12      ARG  32  -7.551  14.452  -3.754
  265   HH21  ARG  32          HH21      ARG  32  -5.887  13.571  -0.769
  266   HH22  ARG  32          HH22      ARG  32  -7.225  13.228  -1.804
  267    H    ILE  33           H        ILE  33   0.126  15.758  -6.446
  268    HA   ILE  33           HA       ILE  33  -0.142  13.199  -5.365
  269    HB   ILE  33           HB       ILE  33  -0.078  13.598  -7.721
  270   HG12  ILE  33          HG12      ILE  33   1.456  11.733  -8.433
  271   HG13  ILE  33          HG13      ILE  33   2.117  11.691  -6.818
  272   HG21  ILE  33          HG21      ILE  33   1.778  14.172  -9.064
  273   HG22  ILE  33          HG22      ILE  33   1.772  15.356  -7.773
  274   HG23  ILE  33          HG23      ILE  33   2.923  14.011  -7.712
  275   HD11  ILE  33          HD11      ILE  33   0.394   9.968  -7.190
  276   HD12  ILE  33          HD12      ILE  33  -0.123  11.085  -5.921
  277   HD13  ILE  33          HD13      ILE  33  -0.808  11.221  -7.559
  278    H    ALA  34           H        ALA  34   2.742  15.334  -5.246
  279    HA   ALA  34           HA       ALA  34   4.526  13.400  -4.189
  280    HB1  ALA  34           HB1      ALA  34   4.421  16.407  -3.665
  281    HB2  ALA  34           HB2      ALA  34   5.811  15.342  -3.376
  282    HB3  ALA  34           HB3      ALA  34   5.241  15.613  -5.034
  283    H    THR  35           H        THR  35   2.018  15.374  -2.548
  284    HA   THR  35           HA       THR  35   2.833  14.679   0.113
  285    HB   THR  35           HB       THR  35   0.057  15.528  -0.805
  286    HG1  THR  35           HG1      THR  35   0.803  17.642  -0.757
  287   HG21  THR  35          HG21      THR  35   1.682  16.151   1.707
  288   HG22  THR  35          HG22      THR  35   0.038  16.734   1.354
  289   HG23  THR  35          HG23      THR  35   0.327  15.007   1.603
  290    H    ALA  36           H        ALA  36   0.369  13.409  -2.202
  291    HA   ALA  36           HA       ALA  36  -0.686  11.454  -0.380
  292    HB1  ALA  36           HB1      ALA  36  -1.961  12.362  -2.283
  293    HB2  ALA  36           HB2      ALA  36  -0.812  11.618  -3.424
  294    HB3  ALA  36           HB3      ALA  36  -1.832  10.594  -2.392
  295    H    VAL  37           H        VAL  37   1.963  11.382  -2.734
  296    HA   VAL  37           HA       VAL  37   2.553   8.539  -2.105
  297    HB   VAL  37           HB       VAL  37   2.563   9.857  -4.853
  298   HG11  VAL  37          HG11      VAL  37   4.311   8.128  -4.626
  299   HG12  VAL  37          HG12      VAL  37   3.118   6.992  -3.962
  300   HG13  VAL  37          HG13      VAL  37   3.000   7.545  -5.647
  301   HG21  VAL  37          HG21      VAL  37   0.670   7.791  -3.643
  302   HG22  VAL  37          HG22      VAL  37   0.248   9.426  -4.188
  303   HG23  VAL  37          HG23      VAL  37   0.749   8.215  -5.365
  304    HA   PRO  38           HA       PRO  38   6.097  11.348  -1.316
  305    HB2  PRO  38           HB2      PRO  38   7.109  10.175   0.938
  306    HB3  PRO  38           HB3      PRO  38   5.640  11.195   0.944
  307    HG2  PRO  38           HG2      PRO  38   5.798   8.165   0.809
  308    HG3  PRO  38           HG3      PRO  38   4.808   9.173   1.918
  309    HD2  PRO  38           HD2      PRO  38   3.789   8.120  -0.378
  310    HD3  PRO  38           HD3      PRO  38   3.296   9.741   0.199
  311    H    ASP  39           H        ASP  39   6.004   8.187  -2.526
  312    HA   ASP  39           HA       ASP  39   8.935   8.144  -3.015
  313    HB2  ASP  39           HB2      ASP  39   8.557   6.658  -1.123
  314    HB3  ASP  39           HB3      ASP  39   7.248   5.839  -1.979
  315    H    LYS  40           H        LYS  40   9.133   8.231  -5.148
  316    HA   LYS  40           HA       LYS  40   6.979   7.898  -6.968
  317    HB2  LYS  40           HB2      LYS  40   9.976   7.927  -7.542
  318    HB3  LYS  40           HB3      LYS  40   8.692   8.189  -8.723
  319    HG2  LYS  40           HG2      LYS  40   7.961  10.224  -7.460
  320    HG3  LYS  40           HG3      LYS  40   9.308   9.986  -6.334
  321    HD2  LYS  40           HD2      LYS  40  10.894  10.125  -8.279
  322    HD3  LYS  40           HD3      LYS  40   9.532  10.548  -9.323
  323    HE2  LYS  40           HE2      LYS  40  10.341  12.098  -6.820
  324    HE3  LYS  40           HE3      LYS  40  10.923  12.491  -8.438
  325    HZ1  LYS  40           HZ1      LYS  40   8.725  13.011  -9.131
  326    HZ2  LYS  40           HZ2      LYS  40   8.053  12.484  -7.714
  327    HZ3  LYS  40           HZ3      LYS  40   9.001  13.817  -7.745
  328    H    ASN  41           H        ASN  41   8.983   5.450  -5.536
  329    HA   ASN  41           HA       ASN  41   8.928   3.528  -7.678
  330    HB2  ASN  41           HB2      ASN  41  10.455   3.377  -5.734
  331    HB3  ASN  41           HB3      ASN  41   9.067   3.139  -4.668
  332   HD21  ASN  41          HD22      ASN  41   8.645   1.000  -4.167
  333   HD22  ASN  41          HD21      ASN  41   9.069  -0.355  -5.177
  334    H    ASP  42           H        ASP  42   6.432   4.672  -5.478
  335    HA   ASP  42           HA       ASP  42   4.790   2.340  -5.317
  336    HB2  ASP  42           HB2      ASP  42   4.444   4.267  -3.885
  337    HB3  ASP  42           HB3      ASP  42   4.131   5.290  -5.303
  338    H    THR  43           H        THR  43   3.090   1.639  -6.570
  339    HA   THR  43           HA       THR  43   3.221   2.318  -9.406
  340    HB   THR  43           HB       THR  43   1.239   0.408  -8.148
  341    HG1  THR  43           HG1      THR  43   3.157  -0.295  -7.406
  342   HG21  THR  43          HG21      THR  43   2.623   0.488 -10.868
  343   HG22  THR  43          HG22      THR  43   1.419  -0.709 -10.336
  344   HG23  THR  43          HG23      THR  43   0.951   0.987 -10.552
  345    H    VAL  44           H        VAL  44   2.413   4.323  -9.773
  346    HA   VAL  44           HA       VAL  44   0.059   5.347  -8.404
  347    HB   VAL  44           HB       VAL  44   1.463   6.618 -10.795
  348   HG11  VAL  44          HG11      VAL  44   0.109   7.871  -8.382
  349   HG12  VAL  44          HG12      VAL  44   0.673   8.695  -9.845
  350   HG13  VAL  44          HG13      VAL  44  -0.710   7.593  -9.934
  351   HG21  VAL  44          HG21      VAL  44   2.848   7.891  -9.140
  352   HG22  VAL  44          HG22      VAL  44   2.339   6.735  -7.888
  353   HG23  VAL  44          HG23      VAL  44   3.292   6.194  -9.288
  354    H    LYS  45           H        LYS  45  -1.635   3.911  -8.959
  355    HA   LYS  45           HA       LYS  45  -2.113   3.231 -11.779
  356    HB2  LYS  45           HB2      LYS  45  -3.456   2.416  -9.182
  357    HB3  LYS  45           HB3      LYS  45  -4.109   2.012 -10.776
  358    HG2  LYS  45           HG2      LYS  45  -1.942   0.923 -11.375
  359    HG3  LYS  45           HG3      LYS  45  -1.348   1.244  -9.731
  360    HD2  LYS  45           HD2      LYS  45  -3.149  -0.129  -8.787
  361    HD3  LYS  45           HD3      LYS  45  -3.830  -0.396 -10.408
  362    HE2  LYS  45           HE2      LYS  45  -1.695  -1.496 -11.103
  363    HE3  LYS  45           HE3      LYS  45  -1.059  -1.266  -9.467
  364    HZ1  LYS  45           HZ1      LYS  45  -3.411  -2.920 -10.180
  365    HZ2  LYS  45           HZ2      LYS  45  -1.952  -3.476  -9.710
  366    HZ3  LYS  45           HZ3      LYS  45  -2.884  -2.648  -8.641
  367    H    VAL  46           H        VAL  46  -2.624   5.168 -12.792
  368    HA   VAL  46           HA       VAL  46  -4.678   6.906 -11.607
  369    HB   VAL  46           HB       VAL  46  -4.263   8.363 -13.561
  370   HG11  VAL  46          HG11      VAL  46  -3.064   8.628 -11.397
  371   HG12  VAL  46          HG12      VAL  46  -1.738   7.623 -12.032
  372   HG13  VAL  46          HG13      VAL  46  -2.116   9.184 -12.785
  373   HG21  VAL  46          HG21      VAL  46  -3.431   6.722 -15.230
  374   HG22  VAL  46          HG22      VAL  46  -2.294   8.048 -14.983
  375   HG23  VAL  46          HG23      VAL  46  -1.971   6.466 -14.252
  376    H    TYR  47           H        TYR  47  -6.767   7.142 -12.340
  377    HA   TYR  47           HA       TYR  47  -7.531   6.097 -14.936
  378    HB2  TYR  47           HB2      TYR  47  -9.280   4.681 -14.267
  379    HB3  TYR  47           HB3      TYR  47  -7.872   4.135 -13.384
  380    HD1  TYR  47           HD2      TYR  47  -7.676   4.720 -10.886
  381    HD2  TYR  47           HD1      TYR  47 -11.267   5.412 -13.184
  382    HE1  TYR  47           HE2      TYR  47  -8.996   4.828  -8.793
  383    HE2  TYR  47           HE1      TYR  47 -12.581   5.547 -11.096
  384    HH   TYR  47           HH       TYR  47 -11.115   5.117  -7.860
  385    H    CYS  48           H        CYS  48  -9.917   6.811 -15.336
  386    HA   CYS  48           HA       CYS  48 -10.953   8.819 -13.539
  387    HB2  CYS  48           HB2      CYS  48 -11.000  10.671 -15.177
  388    HB3  CYS  48           HB3      CYS  48  -9.352  10.177 -14.800
  389    HG   CYS  48           HG       CYS  48  -8.980   8.725 -16.864
  390    H    ASN  49           H        ASN  49 -12.758   9.865 -15.724
  391    HA   ASN  49           HA       ASN  49 -14.786   7.880 -15.459
  392    HB2  ASN  49           HB2      ASN  49 -15.073  10.385 -15.940
  393    HB3  ASN  49           HB3      ASN  49 -14.677  10.033 -17.618
  394   HD21  ASN  49          HD22      ASN  49 -16.126   7.517 -17.957
  395   HD22  ASN  49          HD21      ASN  49 -17.823   7.915 -17.832
  396    H    ALA  50           H        ALA  50 -12.677   8.701 -18.255
  397    HA   ALA  50           HA       ALA  50 -13.272   6.026 -19.445
  398    HB1  ALA  50           HB1      ALA  50 -13.670   7.117 -21.607
  399    HB2  ALA  50           HB2      ALA  50 -14.809   7.711 -20.387
  400    HB3  ALA  50           HB3      ALA  50 -13.421   8.714 -20.873
  401    H    GLY  51           H        GLY  51 -10.840   8.576 -19.000
  402    HA2  GLY  51           HA2      GLY  51  -8.650   7.188 -19.091
  403    HA3  GLY  51           HA3      GLY  51  -8.964   7.159 -20.825
  404    H    ARG  52           H        ARG  52 -10.050  10.057 -20.724
  405    HA   ARG  52           HA       ARG  52  -7.547  11.141 -21.545
  406    HB2  ARG  52           HB2      ARG  52 -10.071  12.713 -20.901
  407    HB3  ARG  52           HB3      ARG  52  -8.688  13.278 -21.838
  408    HG2  ARG  52           HG2      ARG  52 -10.610  11.043 -22.633
  409    HG3  ARG  52           HG3      ARG  52 -10.572  12.684 -23.283
  410    HD2  ARG  52           HD2      ARG  52  -8.278  12.273 -24.166
  411    HD3  ARG  52           HD3      ARG  52  -8.367  10.600 -23.568
  412    HE   ARG  52           HE       ARG  52 -10.640  11.086 -25.176
  413   HH11  ARG  52          HH11      ARG  52  -7.126  10.758 -25.580
  414   HH12  ARG  52          HH12      ARG  52  -7.224  10.173 -27.198
  415   HH21  ARG  52          HH21      ARG  52 -10.771  10.306 -27.333
  416   HH22  ARG  52          HH22      ARG  52  -9.346   9.912 -28.214
  417    H    GLN  53           H        GLN  53  -9.226  11.782 -18.442
  418    HA   GLN  53           HA       GLN  53  -7.183  13.683 -17.708
  419    HB2  GLN  53           HB2      GLN  53  -8.940  12.077 -15.819
  420    HB3  GLN  53           HB3      GLN  53  -7.875  13.384 -15.378
  421    HG2  GLN  53           HG2      GLN  53  -9.944  14.425 -15.375
  422    HG3  GLN  53           HG3      GLN  53  -9.292  14.878 -16.948
  423   HE21  GLN  53          HE22      GLN  53 -10.307  13.960 -18.871
  424   HE22  GLN  53          HE21      GLN  53 -11.806  13.064 -18.769
  425    H    SER  54           H        SER  54  -7.390  10.156 -17.591
  426    HA   SER  54           HA       SER  54  -5.210   9.671 -15.816
  427    HB2  SER  54           HB2      SER  54  -5.904   7.828 -18.100
  428    HB3  SER  54           HB3      SER  54  -5.354   7.446 -16.467
  429    HG   SER  54           HG       SER  54  -7.642   7.092 -16.948
  430    H    GLY  55           H        GLY  55  -5.351   9.782 -19.433
  431    HA2  GLY  55           HA2      GLY  55  -2.550   9.349 -19.825
  432    HA3  GLY  55           HA3      GLY  55  -3.679  10.080 -20.987
  433    H    GLN  56           H        GLN  56  -4.531  12.320 -19.551
  434    HA   GLN  56           HA       GLN  56  -2.464  14.213 -19.968
  435    HB2  GLN  56           HB2      GLN  56  -5.239  14.151 -18.875
  436    HB3  GLN  56           HB3      GLN  56  -4.227  15.433 -18.246
  437    HG2  GLN  56           HG2      GLN  56  -5.595  16.044 -20.268
  438    HG3  GLN  56           HG3      GLN  56  -3.883  16.449 -20.311
  439   HE21  GLN  56          HE22      GLN  56  -5.832  13.483 -21.215
  440   HE22  GLN  56          HE21      GLN  56  -5.130  13.366 -22.815
  441    H    ALA  57           H        ALA  57  -3.621  12.631 -16.924
  442    HA   ALA  57           HA       ALA  57  -1.801  13.979 -15.207
  443    HB1  ALA  57           HB1      ALA  57  -3.107  11.247 -14.883
  444    HB2  ALA  57           HB2      ALA  57  -2.300  12.180 -13.607
  445    HB3  ALA  57           HB3      ALA  57  -3.777  12.814 -14.359
  446    H    LYS  58           H        LYS  58  -1.512  10.854 -17.025
  447    HA   LYS  58           HA       LYS  58   0.979  10.101 -15.956
  448    HB2  LYS  58           HB2      LYS  58  -0.491   8.655 -17.337
  449    HB3  LYS  58           HB3      LYS  58  -0.060   9.593 -18.776
  450    HG2  LYS  58           HG2      LYS  58   2.301   8.925 -18.539
  451    HG3  LYS  58           HG3      LYS  58   1.926   8.061 -17.037
  452    HD2  LYS  58           HD2      LYS  58   0.433   6.525 -18.292
  453    HD3  LYS  58           HD3      LYS  58   0.790   7.411 -19.793
  454    HE2  LYS  58           HE2      LYS  58   3.219   6.875 -19.497
  455    HE3  LYS  58           HE3      LYS  58   2.824   5.939 -18.051
  456    HZ1  LYS  58           HZ1      LYS  58   1.879   5.329 -20.795
  457    HZ2  LYS  58           HZ2      LYS  58   3.041   4.523 -19.991
  458    HZ3  LYS  58           HZ3      LYS  58   1.502   4.459 -19.462
  459    H    GLU  59           H        GLU  59   0.307  12.391 -18.652
  460    HA   GLU  59           HA       GLU  59   3.026  12.710 -19.416
  461    HB2  GLU  59           HB2      GLU  59   0.655  14.614 -19.575
  462    HB3  GLU  59           HB3      GLU  59   2.232  14.987 -20.257
  463    HG2  GLU  59           HG2      GLU  59   0.566  12.558 -21.041
  464    HG3  GLU  59           HG3      GLU  59   0.580  14.087 -21.906
  465    H    ILE  60           H        ILE  60   1.098  14.757 -17.025
  466    HA   ILE  60           HA       ILE  60   3.451  16.264 -16.406
  467    HB   ILE  60           HB       ILE  60   2.119  17.170 -14.568
  468   HG12  ILE  60          HG12      ILE  60  -0.004  15.190 -15.432
  469   HG13  ILE  60          HG13      ILE  60   0.860  15.169 -13.880
  470   HG21  ILE  60          HG21      ILE  60   1.991  17.985 -16.959
  471   HG22  ILE  60          HG22      ILE  60   0.505  17.032 -17.150
  472   HG23  ILE  60          HG23      ILE  60   0.573  18.372 -15.987
  473   HD11  ILE  60          HD11      ILE  60  -0.199  17.260 -13.239
  474   HD12  ILE  60          HD12      ILE  60  -1.048  17.337 -14.818
  475   HD13  ILE  60          HD13      ILE  60  -1.402  16.031 -13.695
  476    H    LEU  61           H        LEU  61   2.128  13.235 -15.048
  477    HA   LEU  61           HA       LEU  61   3.853  13.239 -12.744
  478    HB2  LEU  61           HB2      LEU  61   2.518  11.000 -14.308
  479    HB3  LEU  61           HB3      LEU  61   3.446  10.731 -12.832
  480    HG   LEU  61           HG       LEU  61   1.020  12.571 -12.915
  481   HD11  LEU  61          HD11      LEU  61   1.189   9.641 -12.089
  482   HD12  LEU  61          HD12      LEU  61  -0.217  10.706 -11.866
  483   HD13  LEU  61          HD13      LEU  61   0.320  10.288 -13.498
  484   HD21  LEU  61          HD21      LEU  61   1.028  12.303 -10.515
  485   HD22  LEU  61          HD22      LEU  61   2.494  11.287 -10.591
  486   HD23  LEU  61          HD23      LEU  61   2.555  13.004 -11.045
  487    H    SER  62           H        SER  62   4.280  12.143 -16.127
  488    HA   SER  62           HA       SER  62   6.888  11.008 -15.701
  489    HB2  SER  62           HB2      SER  62   5.705  12.208 -18.241
  490    HB3  SER  62           HB3      SER  62   7.090  11.112 -18.126
  491    HG   SER  62           HG       SER  62   4.365  10.590 -17.494
  492    H    GLU  63           H        GLU  63   5.732  14.332 -16.536
  493    HA   GLU  63           HA       GLU  63   8.326  15.486 -16.805
  494    HB2  GLU  63           HB2      GLU  63   6.182  16.505 -17.561
  495    HB3  GLU  63           HB3      GLU  63   5.740  16.806 -15.876
  496    HG2  GLU  63           HG2      GLU  63   7.702  18.273 -15.597
  497    HG3  GLU  63           HG3      GLU  63   8.221  17.918 -17.248
  498    H    MET  64           H        MET  64   6.222  14.979 -13.953
  499    HA   MET  64           HA       MET  64   8.103  16.078 -12.035
  500    HB2  MET  64           HB2      MET  64   5.617  14.344 -11.741
  501    HB3  MET  64           HB3      MET  64   6.546  14.986 -10.382
  502    HG2  MET  64           HG2      MET  64   6.106  17.284 -11.098
  503    HG3  MET  64           HG3      MET  64   5.242  16.706 -12.514
  504    HE1  MET  64           HE1      MET  64   5.121  17.616  -8.804
  505    HE2  MET  64           HE2      MET  64   3.704  16.761  -8.165
  506    HE3  MET  64           HE3      MET  64   5.176  15.853  -8.572
  507    H    GLY  65           H        GLY  65   8.571  13.448 -13.948
  508    HA2  GLY  65           HA2      GLY  65  10.287  11.987 -13.884
  509    HA3  GLY  65           HA3      GLY  65  10.731  12.604 -12.288
  510    H    TYR  66           H        TYR  66   7.452  11.331 -12.525
  511    HA   TYR  66           HA       TYR  66   8.176   9.016 -10.862
  512    HB2  TYR  66           HB2      TYR  66   5.556   9.777 -12.205
  513    HB3  TYR  66           HB3      TYR  66   5.816   8.332 -11.234
  514    HD1  TYR  66           HD2      TYR  66   5.923  12.084 -11.024
  515    HD2  TYR  66           HD1      TYR  66   5.505   8.358  -8.893
  516    HE1  TYR  66           HE2      TYR  66   5.360  13.336  -8.974
  517    HE2  TYR  66           HE1      TYR  66   4.939   9.609  -6.825
  518    HH   TYR  66           HH       TYR  66   4.912  13.199  -6.700
  519    H    THR  67           H        THR  67   8.291   6.912 -11.579
  520    HA   THR  67           HA       THR  67   8.354   6.414 -14.510
  521    HB   THR  67           HB       THR  67  10.354   4.922 -13.757
  522    HG1  THR  67           HG1      THR  67  11.287   5.483 -11.841
  523   HG21  THR  67          HG21      THR  67  10.598   7.050 -15.040
  524   HG22  THR  67          HG22      THR  67  10.650   7.949 -13.507
  525   HG23  THR  67          HG23      THR  67  11.928   6.782 -13.902
  526    H    HIS  68           H        HIS  68   6.445   5.721 -12.031
  527    HA   HIS  68           HA       HIS  68   5.994   2.891 -12.799
  528    HB2  HIS  68           HB2      HIS  68   6.014   4.035  -9.975
  529    HB3  HIS  68           HB3      HIS  68   5.584   2.379 -10.398
  530    HD1  HIS  68           HD1      HIS  68   7.613   0.675 -10.538
  531    HD2  HIS  68           HD2      HIS  68   8.661   4.747 -10.337
  532    HE1  HIS  68           HE1      HIS  68  10.134   0.744 -10.192
  533    H    VAL  69           H        VAL  69   4.742   5.251 -13.775
  534    HA   VAL  69           HA       VAL  69   2.084   5.393 -12.502
  535    HB   VAL  69           HB       VAL  69   2.972   6.584 -15.165
  536   HG11  VAL  69          HG11      VAL  69   0.686   7.257 -13.248
  537   HG12  VAL  69          HG12      VAL  69   1.095   8.175 -14.709
  538   HG13  VAL  69          HG13      VAL  69   0.534   6.510 -14.853
  539   HG21  VAL  69          HG21      VAL  69   3.314   8.716 -13.991
  540   HG22  VAL  69          HG22      VAL  69   3.074   7.912 -12.419
  541   HG23  VAL  69          HG23      VAL  69   4.471   7.516 -13.449
  542    H    GLU  70           H        GLU  70   0.295   4.279 -13.319
  543    HA   GLU  70           HA       GLU  70   0.583   2.690 -15.810
  544    HB2  GLU  70           HB2      GLU  70  -0.334   1.656 -13.081
  545    HB3  GLU  70           HB3      GLU  70  -0.607   0.806 -14.594
  546    HG2  GLU  70           HG2      GLU  70   2.098   1.434 -13.336
  547    HG3  GLU  70           HG3      GLU  70   1.282  -0.121 -13.340
  548    H    ASN  71           H        ASN  71  -1.288   3.021 -17.030
  549    HA   ASN  71           HA       ASN  71  -3.530   4.420 -15.700
  550    HB2  ASN  71           HB2      ASN  71  -3.079   5.300 -17.877
  551    HB3  ASN  71           HB3      ASN  71  -3.076   3.680 -18.602
  552   HD21  ASN  71          HD22      ASN  71  -5.430   5.145 -16.185
  553   HD22  ASN  71          HD21      ASN  71  -6.809   4.893 -17.233
  554    H    ALA  72           H        ALA  72  -4.764   3.087 -14.480
  555    HA   ALA  72           HA       ALA  72  -4.954   0.248 -14.901
  556    HB1  ALA  72           HB1      ALA  72  -5.325   1.274 -12.700
  557    HB2  ALA  72           HB2      ALA  72  -6.760   2.127 -13.315
  558    HB3  ALA  72           HB3      ALA  72  -6.750   0.356 -13.216
  559    H    GLY  73           H        GLY  73  -6.852   3.013 -16.085
  560    HA2  GLY  73           HA2      GLY  73  -7.822   2.229 -18.403
  561    HA3  GLY  73           HA3      GLY  73  -8.886   1.285 -17.344
  562    H    GLY  74           H        GLY  74 -10.785   2.356 -17.556
  563    HA2  GLY  74           HA2      GLY  74 -10.974   4.989 -16.261
  564    HA3  GLY  74           HA3      GLY  74 -11.833   4.745 -17.798
  565    H    LEU  75           H        LEU  75 -13.223   5.238 -15.433
  566    HA   LEU  75           HA       LEU  75 -13.783   3.294 -13.648
  567    HB2  LEU  75           HB2      LEU  75 -14.541   5.658 -13.644
  568    HB3  LEU  75           HB3      LEU  75 -15.777   5.291 -14.829
  569    HG   LEU  75           HG       LEU  75 -16.537   5.566 -12.469
  570   HD11  LEU  75          HD11      LEU  75 -17.264   2.786 -13.424
  571   HD12  LEU  75          HD12      LEU  75 -18.193   3.892 -12.412
  572   HD13  LEU  75          HD13      LEU  75 -17.913   4.292 -14.113
  573   HD21  LEU  75          HD21      LEU  75 -15.261   2.868 -11.903
  574   HD22  LEU  75          HD22      LEU  75 -14.607   4.433 -11.381
  575   HD23  LEU  75          HD23      LEU  75 -16.192   3.898 -10.796
  576    H    LYS  76           H        LYS  76 -15.550   3.648 -16.758
  577    HA   LYS  76           HA       LYS  76 -17.327   1.450 -16.250
  578    HB2  LYS  76           HB2      LYS  76 -17.739   3.350 -17.817
  579    HB3  LYS  76           HB3      LYS  76 -16.503   2.706 -18.909
  580    HG2  LYS  76           HG2      LYS  76 -17.827   0.628 -19.191
  581    HG3  LYS  76           HG3      LYS  76 -19.050   1.237 -18.069
  582    HD2  LYS  76           HD2      LYS  76 -18.291   2.525 -20.731
  583    HD3  LYS  76           HD3      LYS  76 -19.670   1.446 -20.474
  584    HE2  LYS  76           HE2      LYS  76 -20.606   3.047 -18.804
  585    HE3  LYS  76           HE3      LYS  76 -19.260   4.150 -19.117
  586    HZ1  LYS  76           HZ1      LYS  76 -21.271   3.306 -21.122
  587    HZ2  LYS  76           HZ2      LYS  76 -21.210   4.759 -20.391
  588    HZ3  LYS  76           HZ3      LYS  76 -20.023   4.321 -21.416
  589    H    ASP  77           H        ASP  77 -14.115   1.660 -17.776
  590    HA   ASP  77           HA       ASP  77 -14.300  -0.952 -19.055
  591    HB2  ASP  77           HB2      ASP  77 -13.023   0.860 -20.081
  592    HB3  ASP  77           HB3      ASP  77 -11.992   0.989 -18.654
  593    H    ILE  78           H        ILE  78 -12.802   0.390 -16.101
  594    HA   ILE  78           HA       ILE  78 -11.147  -1.806 -15.436
  595    HB   ILE  78           HB       ILE  78 -12.444   0.455 -13.879
  596   HG12  ILE  78          HG12      ILE  78  -9.503  -0.136 -14.457
  597   HG13  ILE  78          HG13      ILE  78 -10.515   0.766 -15.576
  598   HG21  ILE  78          HG21      ILE  78 -10.557  -1.658 -12.739
  599   HG22  ILE  78          HG22      ILE  78 -10.967  -0.130 -11.945
  600   HG23  ILE  78          HG23      ILE  78 -12.237  -1.298 -12.225
  601   HD11  ILE  78          HD11      ILE  78  -9.846   1.627 -12.736
  602   HD12  ILE  78          HD12      ILE  78  -9.247   2.305 -14.252
  603   HD13  ILE  78          HD13      ILE  78 -10.963   2.473 -13.829
  604    H    ALA  79           H        ALA  79 -11.538  -3.771 -14.552
  605    HA   ALA  79           HA       ALA  79 -14.285  -4.685 -14.347
  606    HB1  ALA  79           HB1      ALA  79 -11.647  -6.132 -13.840
  607    HB2  ALA  79           HB2      ALA  79 -13.240  -6.889 -14.042
  608    HB3  ALA  79           HB3      ALA  79 -12.496  -6.032 -15.403
  609    H    MET  80           H        MET  80 -12.097  -3.350 -12.044
  610    HA   MET  80           HA       MET  80 -12.699  -4.876  -9.725
  611    HB2  MET  80           HB2      MET  80 -11.912  -1.942 -10.014
  612    HB3  MET  80           HB3      MET  80 -11.934  -2.812  -8.492
  613    HG2  MET  80           HG2      MET  80 -10.191  -3.500 -10.885
  614    HG3  MET  80           HG3      MET  80  -9.669  -2.633  -9.449
  615    HE1  MET  80           HE1      MET  80  -9.035  -3.655  -7.200
  616    HE2  MET  80           HE2      MET  80 -10.737  -4.099  -6.937
  617    HE3  MET  80           HE3      MET  80  -9.456  -5.300  -6.679
  618    HA   PRO  81           HA       PRO  81 -16.791  -3.373  -8.690
  619    HB2  PRO  81           HB2      PRO  81 -16.813  -3.524  -5.941
  620    HB3  PRO  81           HB3      PRO  81 -16.880  -4.948  -7.020
  621    HG2  PRO  81           HG2      PRO  81 -14.447  -3.772  -5.649
  622    HG3  PRO  81           HG3      PRO  81 -14.957  -5.487  -5.718
  623    HD2  PRO  81           HD2      PRO  81 -13.078  -4.458  -7.391
  624    HD3  PRO  81           HD3      PRO  81 -14.245  -5.687  -7.959
  625    H    LYS  82           H        LYS  82 -17.944  -1.606  -7.501
  626    HA   LYS  82           HA       LYS  82 -16.227   0.778  -7.047
  627    HB2  LYS  82           HB2      LYS  82 -18.736   0.699  -8.796
  628    HB3  LYS  82           HB3      LYS  82 -17.812   2.115  -8.339
  629    HG2  LYS  82           HG2      LYS  82 -17.057   1.846 -10.433
  630    HG3  LYS  82           HG3      LYS  82 -15.802   0.965  -9.552
  631    HD2  LYS  82           HD2      LYS  82 -17.008  -1.166 -10.133
  632    HD3  LYS  82           HD3      LYS  82 -18.221  -0.223 -11.012
  633    HE2  LYS  82           HE2      LYS  82 -16.577   0.556 -12.615
  634    HE3  LYS  82           HE3      LYS  82 -15.245  -0.072 -11.631
  635    HZ1  LYS  82           HZ1      LYS  82 -15.999  -2.280 -12.030
  636    HZ2  LYS  82           HZ2      LYS  82 -17.261  -1.768 -12.975
  637    HZ3  LYS  82           HZ3      LYS  82 -15.698  -1.542 -13.451
  638    H    VAL  83           H        VAL  83 -17.338   2.531  -5.969
  639    HA   VAL  83           HA       VAL  83 -19.960   2.028  -4.766
  640    HB   VAL  83           HB       VAL  83 -19.163   2.749  -2.516
  641   HG11  VAL  83          HG11      VAL  83 -18.336   0.621  -1.750
  642   HG12  VAL  83          HG12      VAL  83 -19.556   0.349  -3.002
  643   HG13  VAL  83          HG13      VAL  83 -17.830   0.158  -3.383
  644   HG21  VAL  83          HG21      VAL  83 -17.046   3.817  -3.075
  645   HG22  VAL  83          HG22      VAL  83 -16.775   2.523  -1.905
  646   HG23  VAL  83          HG23      VAL  83 -16.357   2.278  -3.615
  647    H    LYS  84           H        LYS  84 -20.789   4.101  -3.791
  648    HA   LYS  84           HA       LYS  84 -20.211   6.439  -5.447
  649    HB2  LYS  84           HB2      LYS  84 -22.090   5.710  -3.206
  650    HB3  LYS  84           HB3      LYS  84 -21.643   7.399  -3.340
  651    HG2  LYS  84           HG2      LYS  84 -23.727   6.899  -4.540
  652    HG3  LYS  84           HG3      LYS  84 -22.478   7.613  -5.541
  653    HD2  LYS  84           HD2      LYS  84 -23.656   5.948  -6.803
  654    HD3  LYS  84           HD3      LYS  84 -22.002   5.392  -6.561
  655    HE2  LYS  84           HE2      LYS  84 -22.748   3.870  -4.770
  656    HE3  LYS  84           HE3      LYS  84 -24.395   4.498  -4.889
  657    HZ1  LYS  84           HZ1      LYS  84 -22.991   3.103  -7.114
  658    HZ2  LYS  84           HZ2      LYS  84 -24.073   2.398  -6.100
  659    HZ3  LYS  84           HZ3      LYS  84 -24.553   3.591  -7.098
  660    H    GLY  85           H        GLY  85 -19.415   8.472  -4.591
  661    HA2  GLY  85           HA2      GLY  85 -16.954   8.322  -3.176
  662    HA3  GLY  85           HA3      GLY  85 -17.908   9.785  -3.482
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1   5.001   1.406  -2.181
    2    H2   ALA   1           H2       ALA   1   5.380   0.288  -1.018
    3    H3   ALA   1           H3       ALA   1   5.131  -0.174  -2.582
    4    HA   ALA   1           HA       ALA   1   3.227  -0.744  -1.304
    5    HB1  ALA   1           HB1      ALA   1   1.896   0.979  -0.189
    6    HB2  ALA   1           HB2      ALA   1   3.544   1.016   0.441
    7    HB3  ALA   1           HB3      ALA   1   3.019   2.250  -0.725
    8    H    GLU   2           H        GLU   2   0.915   1.039  -1.931
    9    HA   GLU   2           HA       GLU   2   1.081   1.633  -4.768
   10    HB2  GLU   2           HB2      GLU   2   0.683  -0.842  -4.699
   11    HB3  GLU   2           HB3      GLU   2  -0.739  -0.575  -3.688
   12    HG2  GLU   2           HG2      GLU   2  -1.812   0.681  -5.553
   13    HG3  GLU   2           HG3      GLU   2  -0.370   0.433  -6.544
   14    H    HIS   3           H        HIS   3  -0.683   3.021  -5.341
   15    HA   HIS   3           HA       HIS   3  -2.833   3.524  -3.388
   16    HB2  HIS   3           HB2      HIS   3  -1.010   5.657  -4.599
   17    HB3  HIS   3           HB3      HIS   3  -2.615   6.007  -3.969
   18    HD1  HIS   3           HD1      HIS   3  -2.900   6.077  -1.304
   19    HD2  HIS   3           HD2      HIS   3   0.908   5.012  -2.748
   20    HE1  HIS   3           HE1      HIS   3  -1.333   6.149   0.698
   21    H    TRP   4           H        TRP   4  -4.726   4.331  -4.461
   22    HA   TRP   4           HA       TRP   4  -4.728   4.090  -7.430
   23    HB2  TRP   4           HB2      TRP   4  -6.782   3.142  -5.405
   24    HB3  TRP   4           HB3      TRP   4  -7.159   3.423  -7.093
   25    HD1  TRP   4           HD1      TRP   4  -4.602   1.286  -5.096
   26    HE1  TRP   4           HE1      TRP   4  -4.195  -0.909  -6.309
   27    HE3  TRP   4           HE3      TRP   4  -7.612   2.088  -9.162
   28    HZ2  TRP   4           HZ2      TRP   4  -5.214  -2.251  -8.694
   29    HZ3  TRP   4           HZ3      TRP   4  -7.871   0.333 -10.889
   30    HH2  TRP   4           HH2      TRP   4  -6.681  -1.837 -10.667
   31    H    ILE   5           H        ILE   5  -5.187   6.028  -8.311
   32    HA   ILE   5           HA       ILE   5  -6.728   8.019  -6.705
   33    HB   ILE   5           HB       ILE   5  -4.274   8.532  -8.426
   34   HG12  ILE   5          HG12      ILE   5  -4.607   9.017  -5.430
   35   HG13  ILE   5          HG13      ILE   5  -3.805   7.597  -6.104
   36   HG21  ILE   5          HG21      ILE   5  -5.964  10.337  -8.645
   37   HG22  ILE   5          HG22      ILE   5  -6.052  10.475  -6.882
   38   HG23  ILE   5          HG23      ILE   5  -4.566  10.912  -7.758
   39   HD11  ILE   5          HD11      ILE   5  -2.180   9.153  -7.254
   40   HD12  ILE   5          HD12      ILE   5  -2.897  10.483  -6.316
   41   HD13  ILE   5          HD13      ILE   5  -2.113   9.138  -5.479
   42    H    ASP   6           H        ASP   6  -8.641   8.160  -7.702
   43    HA   ASP   6           HA       ASP   6  -9.064   7.799 -10.582
   44    HB2  ASP   6           HB2      ASP   6 -10.865   7.364  -9.017
   45    HB3  ASP   6           HB3      ASP   6 -10.651   8.927  -8.247
   46    H    VAL   7           H        VAL   7  -8.874   9.501 -12.084
   47    HA   VAL   7           HA       VAL   7  -7.889  12.091 -10.967
   48    HB   VAL   7           HB       VAL   7  -7.057  11.023 -13.659
   49   HG11  VAL   7          HG11      VAL   7  -6.511  13.331 -13.281
   50   HG12  VAL   7          HG12      VAL   7  -5.787  12.963 -11.695
   51   HG13  VAL   7          HG13      VAL   7  -5.051  12.376 -13.194
   52   HG21  VAL   7          HG21      VAL   7  -4.958  10.184 -12.575
   53   HG22  VAL   7          HG22      VAL   7  -5.715  10.426 -10.992
   54   HG23  VAL   7          HG23      VAL   7  -6.379   9.240 -12.137
   55    H    ARG   8           H        ARG   8 -10.660  10.868 -12.129
   56    HA   ARG   8           HA       ARG   8 -11.459  12.641 -14.195
   57    HB2  ARG   8           HB2      ARG   8 -12.963  11.278 -11.919
   58    HB3  ARG   8           HB3      ARG   8 -13.788  12.301 -13.080
   59    HG2  ARG   8           HG2      ARG   8 -13.128  10.950 -14.954
   60    HG3  ARG   8           HG3      ARG   8 -12.116   9.928 -13.906
   61    HD2  ARG   8           HD2      ARG   8 -15.136  10.191 -13.732
   62    HD3  ARG   8           HD3      ARG   8 -14.272   8.846 -14.494
   63    HE   ARG   8           HE       ARG   8 -13.203   9.080 -11.925
   64   HH11  ARG   8          HH11      ARG   8 -16.480   8.385 -13.270
   65   HH12  ARG   8          HH12      ARG   8 -16.933   7.488 -11.844
   66   HH21  ARG   8          HH21      ARG   8 -14.021   8.181 -10.081
   67   HH22  ARG   8          HH22      ARG   8 -15.595   7.383 -10.066
   68    H    VAL   9           H        VAL   9 -12.826  14.471 -14.103
   69    HA   VAL   9           HA       VAL   9 -12.143  16.520 -12.287
   70    HB   VAL   9           HB       VAL   9 -14.147  17.689 -13.202
   71   HG11  VAL   9          HG11      VAL   9 -11.940  17.787 -14.320
   72   HG12  VAL   9          HG12      VAL   9 -12.382  16.388 -15.322
   73   HG13  VAL   9          HG13      VAL   9 -13.281  17.909 -15.466
   74   HG21  VAL   9          HG21      VAL   9 -14.594  15.165 -14.857
   75   HG22  VAL   9          HG22      VAL   9 -15.662  15.788 -13.574
   76   HG23  VAL   9          HG23      VAL   9 -15.418  16.721 -15.051
   77    HA   PRO  10           HA       PRO  10 -13.903  15.154  -8.673
   78    HB2  PRO  10           HB2      PRO  10 -14.904  17.355  -7.331
   79    HB3  PRO  10           HB3      PRO  10 -13.168  17.010  -7.585
   80    HG2  PRO  10           HG2      PRO  10 -14.969  18.834  -9.200
   81    HG3  PRO  10           HG3      PRO  10 -13.285  19.151  -8.599
   82    HD2  PRO  10           HD2      PRO  10 -13.831  18.381 -11.146
   83    HD3  PRO  10           HD3      PRO  10 -12.356  17.847 -10.307
   84    H    GLU  11           H        GLU  11 -16.276  16.957 -10.603
   85    HA   GLU  11           HA       GLU  11 -18.597  15.921  -9.207
   86    HB2  GLU  11           HB2      GLU  11 -18.070  17.304 -11.848
   87    HB3  GLU  11           HB3      GLU  11 -19.685  16.674 -11.435
   88    HG2  GLU  11           HG2      GLU  11 -19.673  18.057  -9.364
   89    HG3  GLU  11           HG3      GLU  11 -18.082  18.690  -9.789
   90    H    GLN  12           H        GLN  12 -16.461  14.586 -11.712
   91    HA   GLN  12           HA       GLN  12 -18.501  12.614 -12.559
   92    HB2  GLN  12           HB2      GLN  12 -15.676  13.242 -13.499
   93    HB3  GLN  12           HB3      GLN  12 -16.515  11.786 -13.996
   94    HG2  GLN  12           HG2      GLN  12 -17.589  14.607 -14.428
   95    HG3  GLN  12           HG3      GLN  12 -16.718  13.662 -15.630
   96   HE21  GLN  12          HE22      GLN  12 -19.839  14.405 -14.452
   97   HE22  GLN  12          HE21      GLN  12 -20.702  13.098 -15.219
   98    H    TYR  13           H        TYR  13 -15.531  12.935 -10.612
   99    HA   TYR  13           HA       TYR  13 -15.073  10.306  -9.880
  100    HB2  TYR  13           HB2      TYR  13 -13.540  11.758  -9.028
  101    HB3  TYR  13           HB3      TYR  13 -14.723  12.969  -8.612
  102    HD1  TYR  13           HD2      TYR  13 -13.927   9.424  -7.497
  103    HD2  TYR  13           HD1      TYR  13 -14.931  13.469  -6.372
  104    HE1  TYR  13           HE2      TYR  13 -13.631   8.835  -5.133
  105    HE2  TYR  13           HE1      TYR  13 -14.756  12.848  -3.983
  106    HH   TYR  13           HH       TYR  13 -13.804   9.546  -2.917
  107    H    GLN  14           H        GLN  14 -17.398  12.580  -8.370
  108    HA   GLN  14           HA       GLN  14 -18.219  10.820  -6.333
  109    HB2  GLN  14           HB2      GLN  14 -19.521  13.267  -7.590
  110    HB3  GLN  14           HB3      GLN  14 -20.200  12.450  -6.177
  111    HG2  GLN  14           HG2      GLN  14 -18.260  12.902  -4.833
  112    HG3  GLN  14           HG3      GLN  14 -17.333  13.460  -6.220
  113   HE21  GLN  14          HE22      GLN  14 -17.544  15.567  -6.954
  114   HE22  GLN  14          HE21      GLN  14 -18.546  16.775  -6.156
  115    H    GLN  15           H        GLN  15 -19.166  10.713  -9.698
  116    HA   GLN  15           HA       GLN  15 -21.879   9.892  -9.324
  117    HB2  GLN  15           HB2      GLN  15 -20.013   9.281 -11.658
  118    HB3  GLN  15           HB3      GLN  15 -21.770   9.155 -11.665
  119    HG2  GLN  15           HG2      GLN  15 -20.125  11.701 -11.386
  120    HG3  GLN  15           HG3      GLN  15 -21.071  11.225 -12.778
  121   HE21  GLN  15          HE22      GLN  15 -21.086  13.455 -10.486
  122   HE22  GLN  15          HE21      GLN  15 -22.803  13.604 -10.137
  123    H    GLU  16           H        GLU  16 -18.856   8.024  -9.727
  124    HA   GLU  16           HA       GLU  16 -19.432   6.102  -7.811
  125    HB2  GLU  16           HB2      GLU  16 -19.629   4.052  -9.149
  126    HB3  GLU  16           HB3      GLU  16 -21.037   5.065  -9.385
  127    HG2  GLU  16           HG2      GLU  16 -20.007   5.881 -11.563
  128    HG3  GLU  16           HG3      GLU  16 -18.687   4.737 -11.302
  129    H    HIS  17           H        HIS  17 -17.377   4.928  -7.463
  130    HA   HIS  17           HA       HIS  17 -15.308   5.147  -9.526
  131    HB2  HIS  17           HB2      HIS  17 -13.775   6.405  -8.351
  132    HB3  HIS  17           HB3      HIS  17 -15.257   7.260  -7.975
  133    HD1  HIS  17           HD1      HIS  17 -16.322   5.810  -5.432
  134    HD2  HIS  17           HD2      HIS  17 -12.260   6.514  -6.319
  135    HE1  HIS  17           HE1      HIS  17 -15.081   5.878  -3.194
  136    H    VAL  18           H        VAL  18 -13.371   3.782  -8.881
  137    HA   VAL  18           HA       VAL  18 -14.319   1.208  -8.046
  138    HB   VAL  18           HB       VAL  18 -11.493   2.243  -8.522
  139   HG11  VAL  18          HG11      VAL  18 -10.938  -0.179  -8.854
  140   HG12  VAL  18          HG12      VAL  18 -11.350   0.229  -7.189
  141   HG13  VAL  18          HG13      VAL  18 -12.549  -0.590  -8.210
  142   HG21  VAL  18          HG21      VAL  18 -12.998   2.338 -10.550
  143   HG22  VAL  18          HG22      VAL  18 -11.692   1.172 -10.717
  144   HG23  VAL  18          HG23      VAL  18 -13.335   0.609 -10.339
  145    H    GLN  19           H        GLN  19 -14.193   0.199  -6.129
  146    HA   GLN  19           HA       GLN  19 -14.132   1.688  -3.728
  147    HB2  GLN  19           HB2      GLN  19 -15.308  -0.492  -4.209
  148    HB3  GLN  19           HB3      GLN  19 -13.744  -1.311  -4.157
  149    HG2  GLN  19           HG2      GLN  19 -13.479  -0.617  -1.777
  150    HG3  GLN  19           HG3      GLN  19 -15.035   0.218  -1.850
  151   HE21  GLN  19          HE22      GLN  19 -17.013  -1.086  -1.930
  152   HE22  GLN  19          HE21      GLN  19 -16.975  -2.791  -1.569
  153    H    GLY  20           H        GLY  20 -12.541   1.971  -2.127
  154    HA2  GLY  20           HA2      GLY  20 -10.525   1.838  -1.054
  155    HA3  GLY  20           HA3      GLY  20 -10.073   0.486  -2.101
  156    H    ALA  21           H        ALA  21 -10.880   3.933  -2.850
  157    HA   ALA  21           HA       ALA  21  -8.133   4.443  -3.820
  158    HB1  ALA  21           HB1      ALA  21  -9.028   5.337  -5.951
  159    HB2  ALA  21           HB2      ALA  21  -9.426   3.617  -5.782
  160    HB3  ALA  21           HB3      ALA  21 -10.665   4.852  -5.473
  161    H    ILE  22           H        ILE  22  -8.094   6.841  -4.556
  162    HA   ILE  22           HA       ILE  22  -9.864   8.603  -2.940
  163    HB   ILE  22           HB       ILE  22  -7.569   8.406  -1.946
  164   HG12  ILE  22          HG12      ILE  22  -8.126  11.184  -3.055
  165   HG13  ILE  22          HG13      ILE  22  -8.919  10.462  -1.643
  166   HG21  ILE  22          HG21      ILE  22  -5.599   9.287  -3.045
  167   HG22  ILE  22          HG22      ILE  22  -6.317   8.099  -4.114
  168   HG23  ILE  22          HG23      ILE  22  -6.546   9.836  -4.434
  169   HD11  ILE  22          HD11      ILE  22  -7.160  11.935  -0.890
  170   HD12  ILE  22          HD12      ILE  22  -6.627  10.267  -0.579
  171   HD13  ILE  22          HD13      ILE  22  -5.972  11.178  -1.963
  172    H    ASN  23           H        ASN  23  -9.790  10.907  -4.114
  173    HA   ASN  23           HA       ASN  23  -9.299  10.580  -7.017
  174    HB2  ASN  23           HB2      ASN  23 -11.621  10.612  -7.029
  175    HB3  ASN  23           HB3      ASN  23 -11.726  11.781  -5.702
  176   HD21  ASN  23          HD22      ASN  23 -10.223  11.699  -9.053
  177   HD22  ASN  23          HD21      ASN  23 -10.964  13.215  -9.535
  178    H    ILE  24           H        ILE  24  -8.023  12.087  -7.818
  179    HA   ILE  24           HA       ILE  24  -7.912  14.721  -6.555
  180    HB   ILE  24           HB       ILE  24  -5.290  13.375  -7.272
  181   HG12  ILE  24          HG12      ILE  24  -6.430  13.696  -4.452
  182   HG13  ILE  24          HG13      ILE  24  -6.212  12.160  -5.287
  183   HG21  ILE  24          HG21      ILE  24  -4.413  15.369  -6.138
  184   HG22  ILE  24          HG22      ILE  24  -5.583  15.878  -7.361
  185   HG23  ILE  24          HG23      ILE  24  -6.057  15.851  -5.655
  186   HD11  ILE  24          HD11      ILE  24  -4.010  14.022  -4.360
  187   HD12  ILE  24          HD12      ILE  24  -4.387  12.392  -3.791
  188   HD13  ILE  24          HD13      ILE  24  -3.744  12.623  -5.429
  189    HA   PRO  25           HA       PRO  25  -8.994  14.619 -10.954
  190    HB2  PRO  25           HB2      PRO  25  -9.014  17.604 -10.481
  191    HB3  PRO  25           HB3      PRO  25 -10.183  16.602 -11.387
  192    HG2  PRO  25           HG2      PRO  25 -10.704  17.435  -8.833
  193    HG3  PRO  25           HG3      PRO  25 -11.147  15.777  -9.355
  194    HD2  PRO  25           HD2      PRO  25  -8.821  16.672  -7.682
  195    HD3  PRO  25           HD3      PRO  25  -9.810  15.197  -7.565
  196    H    LEU  26           H        LEU  26  -8.039  15.272 -13.014
  197    HA   LEU  26           HA       LEU  26  -5.282  15.595 -13.137
  198    HB2  LEU  26           HB2      LEU  26  -6.578  14.864 -15.011
  199    HB3  LEU  26           HB3      LEU  26  -7.423  16.415 -15.129
  200    HG   LEU  26           HG       LEU  26  -5.256  17.483 -15.808
  201   HD11  LEU  26          HD11      LEU  26  -3.657  15.893 -14.743
  202   HD12  LEU  26          HD12      LEU  26  -4.231  14.608 -15.831
  203   HD13  LEU  26          HD13      LEU  26  -3.367  16.015 -16.483
  204   HD21  LEU  26          HD21      LEU  26  -6.883  16.641 -17.481
  205   HD22  LEU  26          HD22      LEU  26  -5.215  16.515 -18.053
  206   HD23  LEU  26          HD23      LEU  26  -6.068  15.064 -17.480
  207    H    LYS  27           H        LYS  27  -7.735  18.177 -12.944
  208    HA   LYS  27           HA       LYS  27  -5.852  20.350 -13.343
  209    HB2  LYS  27           HB2      LYS  27  -8.685  20.313 -12.200
  210    HB3  LYS  27           HB3      LYS  27  -7.771  21.766 -12.618
  211    HG2  LYS  27           HG2      LYS  27  -7.636  21.016 -14.985
  212    HG3  LYS  27           HG3      LYS  27  -8.624  19.598 -14.586
  213    HD2  LYS  27           HD2      LYS  27 -10.473  21.084 -13.858
  214    HD3  LYS  27           HD3      LYS  27  -9.486  22.506 -14.266
  215    HE2  LYS  27           HE2      LYS  27  -9.357  21.723 -16.628
  216    HE3  LYS  27           HE3      LYS  27 -10.361  20.327 -16.220
  217    HZ1  LYS  27           HZ1      LYS  27 -11.220  23.158 -16.037
  218    HZ2  LYS  27           HZ2      LYS  27 -11.670  22.102 -17.191
  219    HZ3  LYS  27           HZ3      LYS  27 -12.152  21.870 -15.653
  220    H    GLU  28           H        GLU  28  -6.102  18.251 -10.750
  221    HA   GLU  28           HA       GLU  28  -5.373  20.305  -8.707
  222    HB2  GLU  28           HB2      GLU  28  -7.256  17.915  -8.598
  223    HB3  GLU  28           HB3      GLU  28  -6.750  18.775  -7.170
  224    HG2  GLU  28           HG2      GLU  28  -8.393  19.909  -9.474
  225    HG3  GLU  28           HG3      GLU  28  -8.997  19.474  -7.891
  226    H    VAL  29           H        VAL  29  -4.646  17.195 -10.155
  227    HA   VAL  29           HA       VAL  29  -3.411  15.993  -7.959
  228    HB   VAL  29           HB       VAL  29  -4.303  14.881  -9.974
  229   HG11  VAL  29          HG11      VAL  29  -1.697  15.604 -11.366
  230   HG12  VAL  29          HG12      VAL  29  -3.012  14.593 -11.989
  231   HG13  VAL  29          HG13      VAL  29  -3.281  16.320 -11.734
  232   HG21  VAL  29          HG21      VAL  29  -1.445  14.069  -9.370
  233   HG22  VAL  29          HG22      VAL  29  -2.862  13.681  -8.366
  234   HG23  VAL  29          HG23      VAL  29  -2.744  13.045 -10.014
  235    H    LYS  30           H        LYS  30  -1.946  18.175 -10.370
  236    HA   LYS  30           HA       LYS  30   0.750  17.651  -9.716
  237    HB2  LYS  30           HB2      LYS  30  -0.073  18.943 -11.671
  238    HB3  LYS  30           HB3      LYS  30  -0.502  20.290 -10.603
  239    HG2  LYS  30           HG2      LYS  30   1.863  20.567  -9.964
  240    HG3  LYS  30           HG3      LYS  30   2.320  19.170 -10.942
  241    HD2  LYS  30           HD2      LYS  30   1.080  21.739 -12.022
  242    HD3  LYS  30           HD3      LYS  30   2.813  21.380 -11.992
  243    HE2  LYS  30           HE2      LYS  30   2.425  19.376 -13.422
  244    HE3  LYS  30           HE3      LYS  30   0.702  19.771 -13.499
  245    HZ1  LYS  30           HZ1      LYS  30   2.888  21.491 -14.525
  246    HZ2  LYS  30           HZ2      LYS  30   1.880  20.596 -15.438
  247    HZ3  LYS  30           HZ3      LYS  30   1.297  21.858 -14.591
  248    H    GLU  31           H        GLU  31  -1.663  19.581  -7.986
  249    HA   GLU  31           HA       GLU  31   0.250  20.959  -6.301
  250    HB2  GLU  31           HB2      GLU  31  -2.753  20.521  -6.004
  251    HB3  GLU  31           HB3      GLU  31  -1.800  21.690  -5.099
  252    HG2  GLU  31           HG2      GLU  31  -2.302  21.743  -8.107
  253    HG3  GLU  31           HG3      GLU  31  -3.069  22.761  -6.901
  254    H    ARG  32           H        ARG  32  -1.010  17.734  -6.240
  255    HA   ARG  32           HA       ARG  32  -0.605  17.523  -3.265
  256    HB2  ARG  32           HB2      ARG  32  -2.813  16.495  -5.072
  257    HB3  ARG  32           HB3      ARG  32  -2.565  15.855  -3.445
  258    HG2  ARG  32           HG2      ARG  32  -3.017  17.973  -2.417
  259    HG3  ARG  32           HG3      ARG  32  -2.954  18.833  -3.968
  260    HD2  ARG  32           HD2      ARG  32  -4.920  17.495  -4.746
  261    HD3  ARG  32           HD3      ARG  32  -5.057  16.816  -3.119
  262    HE   ARG  32           HE       ARG  32  -5.854  18.841  -2.318
  263   HH11  ARG  32          HH11      ARG  32  -4.781  19.323  -5.716
  264   HH12  ARG  32          HH12      ARG  32  -5.847  20.679  -5.946
  265   HH21  ARG  32          HH21      ARG  32  -7.065  20.783  -2.657
  266   HH22  ARG  32          HH22      ARG  32  -6.994  21.592  -4.182
  267    H    ILE  33           H        ILE  33  -0.024  15.975  -6.407
  268    HA   ILE  33           HA       ILE  33   0.379  13.393  -5.522
  269    HB   ILE  33           HB       ILE  33   0.290  14.018  -7.847
  270   HG12  ILE  33          HG12      ILE  33   2.181  12.642  -8.750
  271   HG13  ILE  33          HG13      ILE  33   2.889  12.598  -7.149
  272   HG21  ILE  33          HG21      ILE  33   1.621  16.155  -7.743
  273   HG22  ILE  33          HG22      ILE  33   3.099  15.167  -7.694
  274   HG23  ILE  33          HG23      ILE  33   2.009  15.120  -9.096
  275   HD11  ILE  33          HD11      ILE  33   0.134  11.527  -7.916
  276   HD12  ILE  33          HD12      ILE  33   1.601  10.556  -7.680
  277   HD13  ILE  33          HD13      ILE  33   0.879  11.406  -6.305
  278    H    ALA  34           H        ALA  34   2.597  16.135  -5.222
  279    HA   ALA  34           HA       ALA  34   4.955  14.892  -4.495
  280    HB1  ALA  34           HB1      ALA  34   5.516  17.020  -3.402
  281    HB2  ALA  34           HB2      ALA  34   4.707  17.298  -4.954
  282    HB3  ALA  34           HB3      ALA  34   3.808  17.503  -3.428
  283    H    THR  35           H        THR  35   2.052  15.214  -2.436
  284    HA   THR  35           HA       THR  35   3.561  14.081  -0.142
  285    HB   THR  35           HB       THR  35   1.616  15.258   1.088
  286    HG1  THR  35           HG1      THR  35   0.657  16.929   0.017
  287   HG21  THR  35          HG21      THR  35   3.708  16.970  -0.342
  288   HG22  THR  35          HG22      THR  35   2.835  17.403   1.146
  289   HG23  THR  35          HG23      THR  35   3.973  16.047   1.154
  290    H    ALA  36           H        ALA  36   0.633  13.832  -2.178
  291    HA   ALA  36           HA       ALA  36  -0.631  11.722  -0.739
  292    HB1  ALA  36           HB1      ALA  36  -1.795  11.297  -2.864
  293    HB2  ALA  36           HB2      ALA  36  -1.720  13.043  -2.542
  294    HB3  ALA  36           HB3      ALA  36  -0.625  12.306  -3.736
  295    H    VAL  37           H        VAL  37   2.102  11.771  -3.037
  296    HA   VAL  37           HA       VAL  37   2.668   8.933  -2.391
  297    HB   VAL  37           HB       VAL  37   2.924  10.169  -5.158
  298   HG11  VAL  37          HG11      VAL  37   3.240   7.275  -4.237
  299   HG12  VAL  37          HG12      VAL  37   3.539   7.924  -5.864
  300   HG13  VAL  37          HG13      VAL  37   4.602   8.371  -4.529
  301   HG21  VAL  37          HG21      VAL  37   1.136   8.599  -5.835
  302   HG22  VAL  37          HG22      VAL  37   0.913   8.102  -4.144
  303   HG23  VAL  37          HG23      VAL  37   0.528   9.755  -4.662
  304    HA   PRO  38           HA       PRO  38   5.679  12.063  -1.133
  305    HB2  PRO  38           HB2      PRO  38   6.882  10.778   0.982
  306    HB3  PRO  38           HB3      PRO  38   5.247  11.501   1.041
  307    HG2  PRO  38           HG2      PRO  38   5.981   8.606   0.500
  308    HG3  PRO  38           HG3      PRO  38   4.779   9.241   1.673
  309    HD2  PRO  38           HD2      PRO  38   4.040   8.365  -0.786
  310    HD3  PRO  38           HD3      PRO  38   3.260   9.803  -0.056
  311    H    ASP  39           H        ASP  39   6.522   9.142  -2.738
  312    HA   ASP  39           HA       ASP  39   9.217  10.203  -3.243
  313    HB2  ASP  39           HB2      ASP  39   9.512   8.636  -1.317
  314    HB3  ASP  39           HB3      ASP  39   8.778   7.345  -2.273
  315    H    LYS  40           H        LYS  40   9.859   9.764  -5.341
  316    HA   LYS  40           HA       LYS  40   7.818   9.191  -7.167
  317    HB2  LYS  40           HB2      LYS  40   9.463   9.400  -8.913
  318    HB3  LYS  40           HB3      LYS  40   9.633  10.646  -7.709
  319    HG2  LYS  40           HG2      LYS  40  11.814  10.120  -8.223
  320    HG3  LYS  40           HG3      LYS  40  11.559   9.294  -6.699
  321    HD2  LYS  40           HD2      LYS  40  12.920   8.003  -8.295
  322    HD3  LYS  40           HD3      LYS  40  11.466   7.122  -7.861
  323    HE2  LYS  40           HE2      LYS  40  10.386   7.871  -9.987
  324    HE3  LYS  40           HE3      LYS  40  11.844   8.766 -10.405
  325    HZ1  LYS  40           HZ1      LYS  40  13.027   6.628 -10.483
  326    HZ2  LYS  40           HZ2      LYS  40  11.626   5.820 -10.130
  327    HZ3  LYS  40           HZ3      LYS  40  11.739   6.655 -11.507
  328    H    ASN  41           H        ASN  41   9.891   6.873  -5.574
  329    HA   ASN  41           HA       ASN  41   9.753   4.881  -7.686
  330    HB2  ASN  41           HB2      ASN  41  11.602   4.984  -6.032
  331    HB3  ASN  41           HB3      ASN  41  10.456   4.647  -4.734
  332   HD21  ASN  41          HD22      ASN  41  10.309   2.487  -4.136
  333   HD22  ASN  41          HD21      ASN  41  10.731   1.148  -5.169
  334    H    ASP  42           H        ASP  42   7.573   5.879  -5.116
  335    HA   ASP  42           HA       ASP  42   6.485   3.264  -4.590
  336    HB2  ASP  42           HB2      ASP  42   6.412   5.146  -2.978
  337    HB3  ASP  42           HB3      ASP  42   5.277   5.989  -4.046
  338    H    THR  43           H        THR  43   4.470   2.388  -5.244
  339    HA   THR  43           HA       THR  43   4.056   2.867  -8.070
  340    HB   THR  43           HB       THR  43   2.330   0.995  -6.454
  341    HG1  THR  43           HG1      THR  43   4.019   0.250  -5.587
  342   HG21  THR  43          HG21      THR  43   3.747   0.737  -9.144
  343   HG22  THR  43          HG22      THR  43   2.672  -0.478  -8.411
  344   HG23  THR  43          HG23      THR  43   2.024   1.094  -8.896
  345    H    VAL  44           H        VAL  44   2.176   3.638  -9.111
  346    HA   VAL  44           HA       VAL  44  -0.132   4.406  -7.409
  347    HB   VAL  44           HB       VAL  44   0.815   6.206  -9.642
  348   HG11  VAL  44          HG11      VAL  44  -0.819   6.744  -7.125
  349   HG12  VAL  44          HG12      VAL  44  -0.477   7.901  -8.431
  350   HG13  VAL  44          HG13      VAL  44  -1.484   6.488  -8.753
  351   HG21  VAL  44          HG21      VAL  44   2.768   6.235  -8.198
  352   HG22  VAL  44          HG22      VAL  44   1.875   7.737  -7.992
  353   HG23  VAL  44          HG23      VAL  44   1.746   6.455  -6.760
  354    H    LYS  45           H        LYS  45  -2.088   4.010  -8.441
  355    HA   LYS  45           HA       LYS  45  -2.002   3.201 -11.307
  356    HB2  LYS  45           HB2      LYS  45  -3.371   1.860  -8.954
  357    HB3  LYS  45           HB3      LYS  45  -3.991   1.685 -10.604
  358    HG2  LYS  45           HG2      LYS  45  -1.855   0.823 -11.404
  359    HG3  LYS  45           HG3      LYS  45  -1.103   1.089  -9.821
  360    HD2  LYS  45           HD2      LYS  45  -2.582  -0.571  -8.800
  361    HD3  LYS  45           HD3      LYS  45  -3.383  -0.855 -10.366
  362    HE2  LYS  45           HE2      LYS  45  -1.383  -1.730 -11.356
  363    HE3  LYS  45           HE3      LYS  45  -0.372  -1.124 -10.038
  364    HZ1  LYS  45           HZ1      LYS  45  -2.366  -3.281  -9.701
  365    HZ2  LYS  45           HZ2      LYS  45  -0.757  -3.506  -9.878
  366    HZ3  LYS  45           HZ3      LYS  45  -1.309  -2.707  -8.561
  367    H    VAL  46           H        VAL  46  -3.514   4.149 -12.572
  368    HA   VAL  46           HA       VAL  46  -5.438   6.010 -11.271
  369    HB   VAL  46           HB       VAL  46  -4.718   7.726 -12.926
  370   HG11  VAL  46          HG11      VAL  46  -3.904   7.767 -10.582
  371   HG12  VAL  46          HG12      VAL  46  -2.454   6.872 -11.077
  372   HG13  VAL  46          HG13      VAL  46  -2.763   8.497 -11.718
  373   HG21  VAL  46          HG21      VAL  46  -2.556   7.626 -14.031
  374   HG22  VAL  46          HG22      VAL  46  -2.249   6.002 -13.396
  375   HG23  VAL  46          HG23      VAL  46  -3.535   6.267 -14.585
  376    H    TYR  47           H        TYR  47  -7.354   6.379 -12.401
  377    HA   TYR  47           HA       TYR  47  -7.772   5.266 -15.066
  378    HB2  TYR  47           HB2      TYR  47  -9.543   3.769 -14.401
  379    HB3  TYR  47           HB3      TYR  47  -8.094   3.306 -13.520
  380    HD1  TYR  47           HD2      TYR  47  -7.889   3.849 -11.061
  381    HD2  TYR  47           HD1      TYR  47 -11.521   4.611 -13.268
  382    HE1  TYR  47           HE2      TYR  47  -9.091   4.255  -8.934
  383    HE2  TYR  47           HE1      TYR  47 -12.725   5.033 -11.146
  384    HH   TYR  47           HH       TYR  47 -11.107   4.836  -7.950
  385    H    CYS  48           H        CYS  48  -9.847   6.013 -15.896
  386    HA   CYS  48           HA       CYS  48 -11.515   7.851 -14.388
  387    HB2  CYS  48           HB2      CYS  48  -9.974   8.847 -16.853
  388    HB3  CYS  48           HB3      CYS  48 -11.204   9.766 -15.964
  389    HG   CYS  48           HG       CYS  48  -8.338   8.612 -14.909
  390    H    ASN  49           H        ASN  49 -12.960   8.968 -16.361
  391    HA   ASN  49           HA       ASN  49 -14.290   6.863 -17.843
  392    HB2  ASN  49           HB2      ASN  49 -15.456   8.971 -17.186
  393    HB3  ASN  49           HB3      ASN  49 -14.307   9.912 -18.155
  394   HD21  ASN  49          HD22      ASN  49 -16.647   7.135 -18.461
  395   HD22  ASN  49          HD21      ASN  49 -17.112   7.516 -20.095
  396    H    ALA  50           H        ALA  50 -13.683   6.083 -19.812
  397    HA   ALA  50           HA       ALA  50 -12.284   5.453 -21.428
  398    HB1  ALA  50           HB1      ALA  50 -11.849   7.089 -23.185
  399    HB2  ALA  50           HB2      ALA  50 -13.480   7.319 -22.533
  400    HB3  ALA  50           HB3      ALA  50 -12.169   8.427 -22.062
  401    H    GLY  51           H        GLY  51 -10.954   6.281 -18.775
  402    HA2  GLY  51           HA2      GLY  51  -8.895   6.470 -17.863
  403    HA3  GLY  51           HA3      GLY  51  -8.255   5.770 -19.349
  404    H    ARG  52           H        ARG  52  -9.893   8.851 -19.884
  405    HA   ARG  52           HA       ARG  52  -7.397   9.846 -20.944
  406    HB2  ARG  52           HB2      ARG  52 -10.182  10.999 -20.707
  407    HB3  ARG  52           HB3      ARG  52  -8.802  12.047 -21.062
  408    HG2  ARG  52           HG2      ARG  52  -8.213  10.423 -22.973
  409    HG3  ARG  52           HG3      ARG  52  -9.801   9.688 -22.706
  410    HD2  ARG  52           HD2      ARG  52  -9.893  11.343 -24.514
  411    HD3  ARG  52           HD3      ARG  52 -10.873  11.895 -23.141
  412    HE   ARG  52           HE       ARG  52  -8.314  12.975 -22.750
  413   HH11  ARG  52          HH21      ARG  52 -10.840  13.331 -25.229
  414   HH12  ARG  52          HH22      ARG  52 -10.422  14.965 -25.592
  415   HH21  ARG  52          HH11      ARG  52  -7.795  15.043 -23.170
  416   HH22  ARG  52          HH12      ARG  52  -8.601  15.987 -24.391
  417    H    GLN  53           H        GLN  53  -9.214  11.215 -18.169
  418    HA   GLN  53           HA       GLN  53  -7.197  13.163 -17.773
  419    HB2  GLN  53           HB2      GLN  53  -9.065  12.065 -15.639
  420    HB3  GLN  53           HB3      GLN  53  -8.078  13.481 -15.509
  421    HG2  GLN  53           HG2      GLN  53 -10.203  14.309 -15.912
  422    HG3  GLN  53           HG3      GLN  53  -9.400  14.434 -17.489
  423   HE21  GLN  53          HE21      GLN  53 -10.232  13.121 -19.231
  424   HE22  GLN  53          HE22      GLN  53 -11.642  12.097 -19.043
  425    H    SER  54           H        SER  54  -7.380   9.812 -16.728
  426    HA   SER  54           HA       SER  54  -5.151   9.929 -14.898
  427    HB2  SER  54           HB2      SER  54  -5.342   7.320 -15.361
  428    HB3  SER  54           HB3      SER  54  -6.516   8.196 -14.375
  429    HG   SER  54           HG       SER  54  -6.802   7.361 -17.070
  430    H    GLY  55           H        GLY  55  -5.445   8.913 -18.375
  431    HA2  GLY  55           HA2      GLY  55  -2.674   8.159 -18.611
  432    HA3  GLY  55           HA3      GLY  55  -3.800   8.554 -19.928
  433    H    GLN  56           H        GLN  56  -4.526  11.159 -19.220
  434    HA   GLN  56           HA       GLN  56  -2.420  12.799 -20.141
  435    HB2  GLN  56           HB2      GLN  56  -5.093  13.276 -18.789
  436    HB3  GLN  56           HB3      GLN  56  -3.976  14.624 -19.101
  437    HG2  GLN  56           HG2      GLN  56  -3.925  14.070 -21.500
  438    HG3  GLN  56           HG3      GLN  56  -4.924  12.641 -21.231
  439   HE21  GLN  56          HE22      GLN  56  -5.125  16.191 -20.417
  440   HE22  GLN  56          HE21      GLN  56  -6.785  16.350 -20.919
  441    H    ALA  57           H        ALA  57  -3.523  12.102 -16.741
  442    HA   ALA  57           HA       ALA  57  -1.448  13.697 -15.575
  443    HB1  ALA  57           HB1      ALA  57  -3.032  11.368 -14.430
  444    HB2  ALA  57           HB2      ALA  57  -1.937  12.419 -13.505
  445    HB3  ALA  57           HB3      ALA  57  -3.368  13.116 -14.279
  446    H    LYS  58           H        LYS  58  -1.527  10.175 -16.500
  447    HA   LYS  58           HA       LYS  58   0.922   9.488 -15.320
  448    HB2  LYS  58           HB2      LYS  58  -0.626   7.865 -16.371
  449    HB3  LYS  58           HB3      LYS  58  -0.185   8.475 -17.975
  450    HG2  LYS  58           HG2      LYS  58   2.162   7.791 -17.609
  451    HG3  LYS  58           HG3      LYS  58   1.746   7.194 -15.993
  452    HD2  LYS  58           HD2      LYS  58   0.206   5.545 -16.986
  453    HD3  LYS  58           HD3      LYS  58   0.558   6.148 -18.610
  454    HE2  LYS  58           HE2      LYS  58   2.600   4.912 -16.700
  455    HE3  LYS  58           HE3      LYS  58   1.797   4.051 -18.015
  456    HZ1  LYS  58           HZ1      LYS  58   3.967   4.790 -18.692
  457    HZ2  LYS  58           HZ2      LYS  58   2.858   5.585 -19.577
  458    HZ3  LYS  58           HZ3      LYS  58   3.639   6.348 -18.352
  459    H    GLU  59           H        GLU  59   0.368  11.176 -18.450
  460    HA   GLU  59           HA       GLU  59   3.102  11.248 -19.224
  461    HB2  GLU  59           HB2      GLU  59   0.831  13.188 -19.816
  462    HB3  GLU  59           HB3      GLU  59   2.436  13.278 -20.545
  463    HG2  GLU  59           HG2      GLU  59   2.163  10.986 -21.457
  464    HG3  GLU  59           HG3      GLU  59   0.539  10.905 -20.783
  465    H    ILE  60           H        ILE  60   1.234  13.901 -17.421
  466    HA   ILE  60           HA       ILE  60   3.599  15.426 -17.183
  467    HB   ILE  60           HB       ILE  60   2.401  16.887 -15.814
  468   HG12  ILE  60          HG12      ILE  60   0.573  14.598 -15.120
  469   HG13  ILE  60          HG13      ILE  60   1.581  15.564 -14.047
  470   HG21  ILE  60          HG21      ILE  60   0.274  15.720 -17.642
  471   HG22  ILE  60          HG22      ILE  60   0.465  17.402 -17.122
  472   HG23  ILE  60          HG23      ILE  60   1.661  16.681 -18.202
  473   HD11  ILE  60          HD11      ILE  60  -0.667  16.142 -13.658
  474   HD12  ILE  60          HD12      ILE  60   0.058  17.509 -14.529
  475   HD13  ILE  60          HD13      ILE  60  -0.997  16.347 -15.402
  476    H    LEU  61           H        LEU  61   2.200  12.925 -15.056
  477    HA   LEU  61           HA       LEU  61   3.918  13.520 -12.835
  478    HB2  LEU  61           HB2      LEU  61   2.357  10.997 -13.548
  479    HB3  LEU  61           HB3      LEU  61   3.215  11.257 -12.036
  480    HG   LEU  61           HG       LEU  61   0.755  12.767 -12.984
  481   HD11  LEU  61          HD11      LEU  61   0.373  10.552 -11.989
  482   HD12  LEU  61          HD12      LEU  61   1.300  11.029 -10.549
  483   HD13  LEU  61          HD13      LEU  61  -0.230  11.844 -10.944
  484   HD21  LEU  61          HD21      LEU  61   2.625  13.434 -10.716
  485   HD22  LEU  61          HD22      LEU  61   2.034  14.483 -12.009
  486   HD23  LEU  61          HD23      LEU  61   0.910  13.944 -10.765
  487    H    SER  62           H        SER  62   4.238  11.289 -15.641
  488    HA   SER  62           HA       SER  62   6.663  10.073 -14.730
  489    HB2  SER  62           HB2      SER  62   5.728  10.602 -17.582
  490    HB3  SER  62           HB3      SER  62   7.007   9.481 -17.084
  491    HG   SER  62           HG       SER  62   4.227   9.368 -16.573
  492    H    GLU  63           H        GLU  63   6.011  13.113 -16.588
  493    HA   GLU  63           HA       GLU  63   8.794  13.731 -16.977
  494    HB2  GLU  63           HB2      GLU  63   6.288  15.464 -17.019
  495    HB3  GLU  63           HB3      GLU  63   7.910  16.069 -17.372
  496    HG2  GLU  63           HG2      GLU  63   8.136  14.371 -19.189
  497    HG3  GLU  63           HG3      GLU  63   6.472  13.868 -18.911
  498    H    MET  64           H        MET  64   6.461  14.556 -14.365
  499    HA   MET  64           HA       MET  64   8.237  16.237 -12.878
  500    HB2  MET  64           HB2      MET  64   5.849  14.541 -12.056
  501    HB3  MET  64           HB3      MET  64   6.731  15.574 -10.930
  502    HG2  MET  64           HG2      MET  64   6.198  17.564 -12.176
  503    HG3  MET  64           HG3      MET  64   5.534  16.634 -13.508
  504    HE1  MET  64           HE1      MET  64   4.882  16.258  -9.536
  505    HE2  MET  64           HE2      MET  64   5.027  17.993  -9.909
  506    HE3  MET  64           HE3      MET  64   3.460  17.316  -9.421
  507    H    GLY  65           H        GLY  65   7.916  12.707 -13.082
  508    HA2  GLY  65           HA2      GLY  65  10.288  11.811 -12.876
  509    HA3  GLY  65           HA3      GLY  65  10.213  12.366 -11.198
  510    H    TYR  66           H        TYR  66   7.105  11.388 -11.736
  511    HA   TYR  66           HA       TYR  66   7.522   8.934 -10.209
  512    HB2  TYR  66           HB2      TYR  66   5.020  10.335 -11.201
  513    HB3  TYR  66           HB3      TYR  66   5.035   8.858 -10.248
  514    HD1  TYR  66           HD1      TYR  66   5.835  12.506 -10.121
  515    HD2  TYR  66           HD2      TYR  66   5.353   8.831  -7.903
  516    HE1  TYR  66           HE1      TYR  66   5.890  13.781  -7.994
  517    HE2  TYR  66           HE2      TYR  66   5.419  10.096  -5.788
  518    HH   TYR  66           HH       TYR  66   5.418  12.165  -4.811
  519    H    THR  67           H        THR  67   8.822   8.001 -12.075
  520    HA   THR  67           HA       THR  67   7.502   7.104 -14.440
  521    HB   THR  67           HB       THR  67   9.640   5.746 -14.630
  522    HG1  THR  67           HG1      THR  67  10.178   5.369 -12.534
  523   HG21  THR  67          HG21      THR  67   9.492   8.138 -15.398
  524   HG22  THR  67          HG22      THR  67  10.098   8.652 -13.806
  525   HG23  THR  67          HG23      THR  67  11.113   7.657 -14.865
  526    H    HIS  68           H        HIS  68   6.189   6.330 -11.772
  527    HA   HIS  68           HA       HIS  68   5.977   3.404 -12.147
  528    HB2  HIS  68           HB2      HIS  68   6.283   4.833  -9.465
  529    HB3  HIS  68           HB3      HIS  68   6.091   3.099  -9.697
  530    HD1  HIS  68           HD1      HIS  68   8.353   1.745  -9.965
  531    HD2  HIS  68           HD2      HIS  68   8.694   5.911 -10.404
  532    HE1  HIS  68           HE1      HIS  68  10.843   2.253 -10.072
  533    H    VAL  69           H        VAL  69   4.354   5.626 -12.971
  534    HA   VAL  69           HA       VAL  69   1.797   5.191 -11.509
  535    HB   VAL  69           HB       VAL  69   2.545   7.154 -13.726
  536   HG11  VAL  69          HG11      VAL  69  -0.062   6.861 -12.163
  537   HG12  VAL  69          HG12      VAL  69   0.327   8.201 -13.263
  538   HG13  VAL  69          HG13      VAL  69   0.167   6.565 -13.902
  539   HG21  VAL  69          HG21      VAL  69   1.895   7.763 -10.808
  540   HG22  VAL  69          HG22      VAL  69   3.522   7.753 -11.504
  541   HG23  VAL  69          HG23      VAL  69   2.333   8.917 -12.078
  542    H    GLU  70           H        GLU  70   0.220   3.922 -12.569
  543    HA   GLU  70           HA       GLU  70   0.742   3.057 -15.379
  544    HB2  GLU  70           HB2      GLU  70  -0.100   1.326 -13.010
  545    HB3  GLU  70           HB3      GLU  70  -0.161   0.825 -14.704
  546    HG2  GLU  70           HG2      GLU  70   2.312   1.211 -14.868
  547    HG3  GLU  70           HG3      GLU  70   2.348   1.552 -13.134
  548    H    ASN  71           H        ASN  71  -1.096   3.197 -16.657
  549    HA   ASN  71           HA       ASN  71  -3.573   4.149 -15.406
  550    HB2  ASN  71           HB2      ASN  71  -3.150   5.124 -17.547
  551    HB3  ASN  71           HB3      ASN  71  -2.868   3.537 -18.288
  552   HD21  ASN  71          HD22      ASN  71  -5.555   4.697 -16.054
  553   HD22  ASN  71          HD21      ASN  71  -6.816   4.217 -17.163
  554    H    ALA  72           H        ALA  72  -4.741   2.667 -14.318
  555    HA   ALA  72           HA       ALA  72  -4.366  -0.162 -14.630
  556    HB1  ALA  72           HB1      ALA  72  -5.025   0.843 -12.494
  557    HB2  ALA  72           HB2      ALA  72  -6.552   1.423 -13.201
  558    HB3  ALA  72           HB3      ALA  72  -6.254  -0.318 -13.024
  559    H    GLY  73           H        GLY  73  -6.683   2.155 -16.029
  560    HA2  GLY  73           HA2      GLY  73  -7.503   0.873 -18.261
  561    HA3  GLY  73           HA3      GLY  73  -8.500   0.101 -17.012
  562    H    GLY  74           H        GLY  74 -10.394   1.049 -17.898
  563    HA2  GLY  74           HA2      GLY  74 -10.779   3.909 -17.157
  564    HA3  GLY  74           HA3      GLY  74 -11.604   3.168 -18.535
  565    H    LEU  75           H        LEU  75 -13.011   4.321 -16.485
  566    HA   LEU  75           HA       LEU  75 -13.591   3.108 -14.166
  567    HB2  LEU  75           HB2      LEU  75 -14.547   5.249 -14.973
  568    HB3  LEU  75           HB3      LEU  75 -15.612   4.374 -16.066
  569    HG   LEU  75           HG       LEU  75 -16.705   3.289 -14.024
  570   HD11  LEU  75          HD11      LEU  75 -16.369   4.435 -11.843
  571   HD12  LEU  75          HD12      LEU  75 -14.914   3.586 -12.369
  572   HD13  LEU  75          HD13      LEU  75 -15.017   5.353 -12.538
  573   HD21  LEU  75          HD21      LEU  75 -17.965   5.365 -13.452
  574   HD22  LEU  75          HD22      LEU  75 -16.756   6.304 -14.361
  575   HD23  LEU  75          HD23      LEU  75 -17.763   5.109 -15.189
  576    H    LYS  76           H        LYS  76 -15.307   2.193 -17.204
  577    HA   LYS  76           HA       LYS  76 -16.726   0.044 -15.746
  578    HB2  LYS  76           HB2      LYS  76 -16.902   0.986 -18.642
  579    HB3  LYS  76           HB3      LYS  76 -17.925  -0.245 -17.915
  580    HG2  LYS  76           HG2      LYS  76 -17.844   2.696 -17.105
  581    HG3  LYS  76           HG3      LYS  76 -19.079   1.895 -18.077
  582    HD2  LYS  76           HD2      LYS  76 -19.543   0.370 -16.095
  583    HD3  LYS  76           HD3      LYS  76 -18.472   1.412 -15.128
  584    HE2  LYS  76           HE2      LYS  76 -19.898   3.373 -15.668
  585    HE3  LYS  76           HE3      LYS  76 -20.943   2.344 -16.656
  586    HZ1  LYS  76           HZ1      LYS  76 -21.909   2.640 -14.505
  587    HZ2  LYS  76           HZ2      LYS  76 -21.449   1.079 -14.609
  588    HZ3  LYS  76           HZ3      LYS  76 -20.570   2.156 -13.717
  589    H    ASP  77           H        ASP  77 -13.864   0.344 -17.696
  590    HA   ASP  77           HA       ASP  77 -13.895  -2.368 -18.771
  591    HB2  ASP  77           HB2      ASP  77 -12.633  -0.614 -19.904
  592    HB3  ASP  77           HB3      ASP  77 -11.683  -0.305 -18.448
  593    H    ILE  78           H        ILE  78 -12.561  -0.688 -15.917
  594    HA   ILE  78           HA       ILE  78 -11.113  -2.934 -14.847
  595    HB   ILE  78           HB       ILE  78 -12.201  -0.345 -13.667
  596   HG12  ILE  78          HG12      ILE  78  -9.322  -1.214 -14.231
  597   HG13  ILE  78          HG13      ILE  78 -10.297  -0.320 -15.392
  598   HG21  ILE  78          HG21      ILE  78 -12.091  -1.920 -11.825
  599   HG22  ILE  78          HG22      ILE  78 -10.453  -2.450 -12.302
  600   HG23  ILE  78          HG23      ILE  78 -10.739  -0.819 -11.675
  601   HD11  ILE  78          HD11      ILE  78  -8.900   1.230 -14.250
  602   HD12  ILE  78          HD12      ILE  78 -10.578   1.528 -13.756
  603   HD13  ILE  78          HD13      ILE  78  -9.450   0.693 -12.659
  604    H    ALA  79           H        ALA  79 -11.944  -4.736 -13.947
  605    HA   ALA  79           HA       ALA  79 -14.814  -5.063 -13.731
  606    HB1  ALA  79           HB1      ALA  79 -12.526  -6.977 -13.084
  607    HB2  ALA  79           HB2      ALA  79 -14.236  -7.411 -13.285
  608    HB3  ALA  79           HB3      ALA  79 -13.317  -6.799 -14.671
  609    H    MET  80           H        MET  80 -12.509  -3.939 -11.482
  610    HA   MET  80           HA       MET  80 -13.330  -5.184  -9.060
  611    HB2  MET  80           HB2      MET  80 -12.140  -2.435  -9.617
  612    HB3  MET  80           HB3      MET  80 -12.330  -3.108  -8.004
  613    HG2  MET  80           HG2      MET  80 -10.830  -4.956  -8.519
  614    HG3  MET  80           HG3      MET  80 -10.722  -4.452 -10.204
  615    HE1  MET  80           HE1      MET  80  -9.643  -3.710  -6.503
  616    HE2  MET  80           HE2      MET  80  -8.743  -2.186  -6.666
  617    HE3  MET  80           HE3      MET  80 -10.506  -2.196  -6.865
  618    HA   PRO  81           HA       PRO  81 -17.245  -3.228  -8.284
  619    HB2  PRO  81           HB2      PRO  81 -17.370  -3.069  -5.541
  620    HB3  PRO  81           HB3      PRO  81 -17.452  -4.616  -6.437
  621    HG2  PRO  81           HG2      PRO  81 -15.019  -3.339  -5.147
  622    HG3  PRO  81           HG3      PRO  81 -15.600  -5.028  -4.981
  623    HD2  PRO  81           HD2      PRO  81 -13.639  -4.368  -6.732
  624    HD3  PRO  81           HD3      PRO  81 -14.874  -5.586  -7.162
  625    H    LYS  82           H        LYS  82 -18.303  -1.292  -7.293
  626    HA   LYS  82           HA       LYS  82 -16.429   0.997  -7.033
  627    HB2  LYS  82           HB2      LYS  82 -18.985   0.894  -8.716
  628    HB3  LYS  82           HB3      LYS  82 -18.121   2.358  -8.288
  629    HG2  LYS  82           HG2      LYS  82 -17.285   2.049 -10.372
  630    HG3  LYS  82           HG3      LYS  82 -16.048   1.228  -9.420
  631    HD2  LYS  82           HD2      LYS  82 -17.199  -0.957  -9.924
  632    HD3  LYS  82           HD3      LYS  82 -18.343  -0.079 -10.952
  633    HE2  LYS  82           HE2      LYS  82 -16.581   0.598 -12.469
  634    HE3  LYS  82           HE3      LYS  82 -15.327   0.084 -11.334
  635    HZ1  LYS  82           HZ1      LYS  82 -17.181  -1.759 -12.717
  636    HZ2  LYS  82           HZ2      LYS  82 -15.583  -1.550 -13.058
  637    HZ3  LYS  82           HZ3      LYS  82 -16.018  -2.182 -11.622
  638    H    VAL  83           H        VAL  83 -17.315   2.831  -5.949
  639    HA   VAL  83           HA       VAL  83 -19.806   2.494  -4.420
  640    HB   VAL  83           HB       VAL  83 -18.762   3.301  -2.355
  641   HG11  VAL  83          HG11      VAL  83 -17.669   1.272  -1.630
  642   HG12  VAL  83          HG12      VAL  83 -19.008   0.851  -2.710
  643   HG13  VAL  83          HG13      VAL  83 -17.333   0.787  -3.307
  644   HG21  VAL  83          HG21      VAL  83 -16.831   4.502  -3.186
  645   HG22  VAL  83          HG22      VAL  83 -16.293   3.261  -2.053
  646   HG23  VAL  83          HG23      VAL  83 -16.089   3.007  -3.802
  647    H    LYS  84           H        LYS  84 -20.537   4.679  -3.619
  648    HA   LYS  84           HA       LYS  84 -19.926   6.659  -5.771
  649    HB2  LYS  84           HB2      LYS  84 -22.489   6.124  -4.213
  650    HB3  LYS  84           HB3      LYS  84 -22.282   7.347  -5.473
  651    HG2  LYS  84           HG2      LYS  84 -21.890   5.618  -7.165
  652    HG3  LYS  84           HG3      LYS  84 -21.905   4.353  -5.950
  653    HD2  LYS  84           HD2      LYS  84 -24.001   4.340  -7.136
  654    HD3  LYS  84           HD3      LYS  84 -24.236   4.738  -5.438
  655    HE2  LYS  84           HE2      LYS  84 -25.703   6.155  -6.614
  656    HE3  LYS  84           HE3      LYS  84 -24.372   7.190  -6.100
  657    HZ1  LYS  84           HZ1      LYS  84 -24.728   6.044  -8.814
  658    HZ2  LYS  84           HZ2      LYS  84 -24.982   7.597  -8.396
  659    HZ3  LYS  84           HZ3      LYS  84 -23.464   6.989  -8.368
  660    H    GLY  85           H        GLY  85 -20.345   8.937  -5.231
  661    HA2  GLY  85           HA2      GLY  85 -18.895   9.868  -2.977
  662    HA3  GLY  85           HA3      GLY  85 -19.980  10.822  -4.005
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1   4.947   0.227  -2.926
    2    H2   ALA   1           H2       ALA   1   5.020  -1.161  -2.022
    3    H3   ALA   1           H3       ALA   1   4.767  -1.226  -3.650
    4    HA   ALA   1           HA       ALA   1   2.716  -1.631  -2.550
    5    HB1  ALA   1           HB1      ALA   1   3.111   1.143  -1.329
    6    HB2  ALA   1           HB2      ALA   1   1.709   0.073  -1.102
    7    HB3  ALA   1           HB3      ALA   1   3.283  -0.396  -0.456
    8    H    GLU   2           H        GLU   2   0.752   0.500  -2.846
    9    HA   GLU   2           HA       GLU   2   1.391   1.997  -5.195
   10    HB2  GLU   2           HB2      GLU   2  -0.309   1.196  -6.669
   11    HB3  GLU   2           HB3      GLU   2   0.714  -0.163  -6.259
   12    HG2  GLU   2           HG2      GLU   2  -2.033   0.396  -5.048
   13    HG3  GLU   2           HG3      GLU   2  -1.713  -0.695  -6.381
   14    H    HIS   3           H        HIS   3  -0.639   3.330  -5.820
   15    HA   HIS   3           HA       HIS   3  -2.612   3.678  -3.647
   16    HB2  HIS   3           HB2      HIS   3  -1.014   5.914  -4.990
   17    HB3  HIS   3           HB3      HIS   3  -2.482   6.161  -4.051
   18    HD1  HIS   3           HD1      HIS   3  -2.213   6.228  -1.410
   19    HD2  HIS   3           HD2      HIS   3   1.227   5.111  -3.568
   20    HE1  HIS   3           HE1      HIS   3  -0.287   6.257   0.251
   21    H    TRP   4           H        TRP   4  -4.642   3.784  -4.579
   22    HA   TRP   4           HA       TRP   4  -4.840   3.917  -7.549
   23    HB2  TRP   4           HB2      TRP   4  -6.738   2.951  -5.379
   24    HB3  TRP   4           HB3      TRP   4  -7.264   3.304  -7.013
   25    HD1  TRP   4           HD1      TRP   4  -4.656   1.002  -5.295
   26    HE1  TRP   4           HE1      TRP   4  -4.433  -1.155  -6.635
   27    HE3  TRP   4           HE3      TRP   4  -7.836   2.130  -9.152
   28    HZ2  TRP   4           HZ2      TRP   4  -5.463  -2.249  -9.123
   29    HZ3  TRP   4           HZ3      TRP   4  -8.204   0.505 -10.981
   30    HH2  TRP   4           HH2      TRP   4  -7.019  -1.680 -10.984
   31    H    ILE   5           H        ILE   5  -5.149   5.908  -8.309
   32    HA   ILE   5           HA       ILE   5  -6.666   7.900  -6.680
   33    HB   ILE   5           HB       ILE   5  -4.058   8.239  -8.217
   34   HG12  ILE   5          HG12      ILE   5  -4.686   8.909  -5.301
   35   HG13  ILE   5          HG13      ILE   5  -3.958   7.382  -5.800
   36   HG21  ILE   5          HG21      ILE   5  -5.558  10.160  -8.682
   37   HG22  ILE   5          HG22      ILE   5  -5.814  10.388  -6.943
   38   HG23  ILE   5          HG23      ILE   5  -4.211  10.650  -7.676
   39   HD11  ILE   5          HD11      ILE   5  -2.751  10.152  -6.040
   40   HD12  ILE   5          HD12      ILE   5  -2.229   8.806  -5.022
   41   HD13  ILE   5          HD13      ILE   5  -2.051   8.703  -6.784
   42    H    ASP   6           H        ASP   6  -8.562   8.059  -7.762
   43    HA   ASP   6           HA       ASP   6  -8.807   7.806 -10.658
   44    HB2  ASP   6           HB2      ASP   6 -10.713   7.387  -9.154
   45    HB3  ASP   6           HB3      ASP   6 -10.587   9.010  -8.507
   46    H    VAL   7           H        VAL   7  -8.702   9.598 -12.125
   47    HA   VAL   7           HA       VAL   7  -7.910  12.225 -10.940
   48    HB   VAL   7           HB       VAL   7  -6.364  12.501 -12.847
   49   HG11  VAL   7          HG11      VAL   7  -5.478  11.656 -10.688
   50   HG12  VAL   7          HG12      VAL   7  -5.748   9.994 -11.228
   51   HG13  VAL   7          HG13      VAL   7  -4.582  11.029 -12.072
   52   HG21  VAL   7          HG21      VAL   7  -5.725  10.692 -14.240
   53   HG22  VAL   7          HG22      VAL   7  -6.754   9.526 -13.389
   54   HG23  VAL   7          HG23      VAL   7  -7.486  10.810 -14.377
   55    H    ARG   8           H        ARG   8 -10.566  11.085 -12.063
   56    HA   ARG   8           HA       ARG   8 -11.152  12.877 -14.327
   57    HB2  ARG   8           HB2      ARG   8 -13.001  11.737 -14.568
   58    HB3  ARG   8           HB3      ARG   8 -12.232  10.549 -13.515
   59    HG2  ARG   8           HG2      ARG   8 -13.442  11.606 -11.563
   60    HG3  ARG   8           HG3      ARG   8 -14.290  12.609 -12.751
   61    HD2  ARG   8           HD2      ARG   8 -15.741  10.799 -12.584
   62    HD3  ARG   8           HD3      ARG   8 -14.799  10.331 -13.980
   63    HE   ARG   8           HE       ARG   8 -13.359   9.128 -12.061
   64   HH11  ARG   8          HH22      ARG   8 -16.942   9.492 -11.914
   65   HH12  ARG   8          HH21      ARG   8 -17.098   7.976 -11.087
   66   HH21  ARG   8          HH11      ARG   8 -13.660   7.323 -10.948
   67   HH22  ARG   8          HH12      ARG   8 -15.298   6.781 -10.471
   68    H    VAL   9           H        VAL   9 -12.861  14.562 -14.097
   69    HA   VAL   9           HA       VAL   9 -11.877  16.433 -12.276
   70    HB   VAL   9           HB       VAL   9 -13.751  17.895 -12.996
   71   HG11  VAL   9          HG11      VAL   9 -13.022  18.073 -15.305
   72   HG12  VAL   9          HG12      VAL   9 -11.634  17.711 -14.267
   73   HG13  VAL   9          HG13      VAL   9 -12.349  16.434 -15.275
   74   HG21  VAL   9          HG21      VAL   9 -14.674  15.507 -14.649
   75   HG22  VAL   9          HG22      VAL   9 -15.554  16.281 -13.301
   76   HG23  VAL   9          HG23      VAL   9 -15.246  17.181 -14.789
   77    HA   PRO  10           HA       PRO  10 -13.447  15.231  -8.535
   78    HB2  PRO  10           HB2      PRO  10 -14.206  17.464  -7.090
   79    HB3  PRO  10           HB3      PRO  10 -12.521  17.021  -7.479
   80    HG2  PRO  10           HG2      PRO  10 -14.330  18.975  -8.923
   81    HG3  PRO  10           HG3      PRO  10 -12.594  19.184  -8.456
   82    HD2  PRO  10           HD2      PRO  10 -13.382  18.494 -10.963
   83    HD3  PRO  10           HD3      PRO  10 -11.877  17.865 -10.256
   84    H    GLU  11           H        GLU  11 -15.893  17.347 -10.079
   85    HA   GLU  11           HA       GLU  11 -18.099  16.409  -8.472
   86    HB2  GLU  11           HB2      GLU  11 -17.844  17.766 -11.172
   87    HB3  GLU  11           HB3      GLU  11 -19.418  17.285 -10.492
   88    HG2  GLU  11           HG2      GLU  11 -18.943  18.664  -8.469
   89    HG3  GLU  11           HG3      GLU  11 -17.402  19.163  -9.168
   90    H    GLN  12           H        GLN  12 -16.386  15.034 -11.245
   91    HA   GLN  12           HA       GLN  12 -18.658  13.295 -11.996
   92    HB2  GLN  12           HB2      GLN  12 -15.958  14.022 -13.196
   93    HB3  GLN  12           HB3      GLN  12 -16.610  12.454 -13.548
   94    HG2  GLN  12           HG2      GLN  12 -17.230  14.044 -15.256
   95    HG3  GLN  12           HG3      GLN  12 -18.606  13.265 -14.487
   96   HE21  GLN  12          HE22      GLN  12 -17.266  16.318 -15.400
   97   HE22  GLN  12          HE21      GLN  12 -18.449  17.318 -14.598
   98    H    TYR  13           H        TYR  13 -15.519  13.265 -10.366
   99    HA   TYR  13           HA       TYR  13 -15.176  10.541 -10.006
  100    HB2  TYR  13           HB2      TYR  13 -13.373  11.479  -9.151
  101    HB3  TYR  13           HB3      TYR  13 -14.193  12.963  -8.720
  102    HD1  TYR  13           HD1      TYR  13 -13.817   9.379  -7.525
  103    HD2  TYR  13           HD2      TYR  13 -14.412  13.528  -6.465
  104    HE1  TYR  13           HE1      TYR  13 -13.523   8.825  -5.142
  105    HE2  TYR  13           HE2      TYR  13 -14.229  12.950  -4.073
  106    HH   TYR  13           HH       TYR  13 -13.828  11.255  -2.517
  107    H    GLN  14           H        GLN  14 -17.057  12.744  -7.931
  108    HA   GLN  14           HA       GLN  14 -17.643  10.901  -5.923
  109    HB2  GLN  14           HB2      GLN  14 -19.142  13.374  -6.884
  110    HB3  GLN  14           HB3      GLN  14 -19.560  12.517  -5.394
  111    HG2  GLN  14           HG2      GLN  14 -17.446  13.003  -4.375
  112    HG3  GLN  14           HG3      GLN  14 -16.747  13.548  -5.893
  113   HE21  GLN  14          HE22      GLN  14 -16.893  15.668  -6.483
  114   HE22  GLN  14          HE21      GLN  14 -17.793  16.884  -5.583
  115    H    GLN  15           H        GLN  15 -19.021  11.010  -9.106
  116    HA   GLN  15           HA       GLN  15 -21.652  10.166  -8.416
  117    HB2  GLN  15           HB2      GLN  15 -20.208   9.901 -11.090
  118    HB3  GLN  15           HB3      GLN  15 -21.950   9.858 -10.829
  119    HG2  GLN  15           HG2      GLN  15 -20.103  12.257 -10.471
  120    HG3  GLN  15           HG3      GLN  15 -21.308  12.046 -11.715
  121   HE21  GLN  15          HE22      GLN  15 -20.814  14.005  -9.325
  122   HE22  GLN  15          HE21      GLN  15 -22.403  14.136  -8.584
  123    H    GLU  16           H        GLU  16 -18.691   8.341  -8.853
  124    HA   GLU  16           HA       GLU  16 -19.376   6.066  -7.534
  125    HB2  GLU  16           HB2      GLU  16 -21.078   5.399  -9.088
  126    HB3  GLU  16           HB3      GLU  16 -20.050   5.755 -10.494
  127    HG2  GLU  16           HG2      GLU  16 -18.634   3.832  -9.939
  128    HG3  GLU  16           HG3      GLU  16 -19.530   3.600  -8.422
  129    H    HIS  17           H        HIS  17 -17.350   4.965  -7.240
  130    HA   HIS  17           HA       HIS  17 -15.331   5.146  -9.350
  131    HB2  HIS  17           HB2      HIS  17 -13.717   6.329  -8.191
  132    HB3  HIS  17           HB3      HIS  17 -15.164   7.258  -7.872
  133    HD1  HIS  17           HD1      HIS  17 -16.322   5.777  -5.311
  134    HD2  HIS  17           HD2      HIS  17 -12.244   6.496  -6.115
  135    HE1  HIS  17           HE1      HIS  17 -15.141   5.864  -3.053
  136    H    VAL  18           H        VAL  18 -13.313   3.838  -8.654
  137    HA   VAL  18           HA       VAL  18 -14.290   1.217  -7.982
  138    HB   VAL  18           HB       VAL  18 -11.462   2.281  -8.377
  139   HG11  VAL  18          HG11      VAL  18 -12.515  -0.564  -8.240
  140   HG12  VAL  18          HG12      VAL  18 -10.899  -0.115  -8.844
  141   HG13  VAL  18          HG13      VAL  18 -11.325   0.194  -7.162
  142   HG21  VAL  18          HG21      VAL  18 -13.284   0.753 -10.303
  143   HG22  VAL  18          HG22      VAL  18 -12.951   2.491 -10.409
  144   HG23  VAL  18          HG23      VAL  18 -11.638   1.346 -10.630
  145    H    GLN  19           H        GLN  19 -14.094   0.072  -6.114
  146    HA   GLN  19           HA       GLN  19 -14.073   1.474  -3.642
  147    HB2  GLN  19           HB2      GLN  19 -15.240  -0.694  -4.216
  148    HB3  GLN  19           HB3      GLN  19 -13.668  -1.502  -4.183
  149    HG2  GLN  19           HG2      GLN  19 -13.424  -0.890  -1.779
  150    HG3  GLN  19           HG3      GLN  19 -14.982  -0.057  -1.835
  151   HE21  GLN  19          HE22      GLN  19 -16.946  -1.344  -1.870
  152   HE22  GLN  19          HE21      GLN  19 -16.912  -3.067  -1.608
  153    H    GLY  20           H        GLY  20 -12.477   1.698  -2.040
  154    HA2  GLY  20           HA2      GLY  20 -10.436   1.601  -1.015
  155    HA3  GLY  20           HA3      GLY  20  -9.988   0.262  -2.080
  156    H    ALA  21           H        ALA  21 -10.868   3.689  -2.823
  157    HA   ALA  21           HA       ALA  21  -8.149   4.244  -3.848
  158    HB1  ALA  21           HB1      ALA  21 -10.713   4.639  -5.448
  159    HB2  ALA  21           HB2      ALA  21  -9.075   5.079  -5.969
  160    HB3  ALA  21           HB3      ALA  21  -9.507   3.370  -5.763
  161    H    ILE  22           H        ILE  22  -8.247   6.644  -4.678
  162    HA   ILE  22           HA       ILE  22 -10.016   8.391  -3.075
  163    HB   ILE  22           HB       ILE  22  -7.754   8.129  -1.976
  164   HG12  ILE  22          HG12      ILE  22  -8.308  10.959  -2.940
  165   HG13  ILE  22          HG13      ILE  22  -9.141  10.142  -1.606
  166   HG21  ILE  22          HG21      ILE  22  -6.642   9.712  -4.328
  167   HG22  ILE  22          HG22      ILE  22  -5.752   9.061  -2.944
  168   HG23  ILE  22          HG23      ILE  22  -6.433   7.953  -4.121
  169   HD11  ILE  22          HD11      ILE  22  -6.190  10.899  -1.771
  170   HD12  ILE  22          HD12      ILE  22  -7.425  11.587  -0.704
  171   HD13  ILE  22          HD13      ILE  22  -6.892   9.908  -0.467
  172    H    ASN  23           H        ASN  23  -9.656  10.764  -4.213
  173    HA   ASN  23           HA       ASN  23  -9.111  10.422  -7.096
  174    HB2  ASN  23           HB2      ASN  23 -11.437  10.529  -7.190
  175    HB3  ASN  23           HB3      ASN  23 -11.535  11.682  -5.853
  176   HD21  ASN  23          HD22      ASN  23 -10.817  11.432  -9.413
  177   HD22  ASN  23          HD21      ASN  23 -10.975  13.136  -9.672
  178    H    ILE  24           H        ILE  24  -7.903  11.982  -7.918
  179    HA   ILE  24           HA       ILE  24  -7.541  14.554  -6.548
  180    HB   ILE  24           HB       ILE  24  -5.183  12.806  -7.351
  181   HG12  ILE  24          HG12      ILE  24  -6.104  13.709  -4.579
  182   HG13  ILE  24          HG13      ILE  24  -6.120  12.054  -5.191
  183   HG21  ILE  24          HG21      ILE  24  -4.962  15.235  -7.839
  184   HG22  ILE  24          HG22      ILE  24  -5.296  15.601  -6.149
  185   HG23  ILE  24          HG23      ILE  24  -3.831  14.683  -6.603
  186   HD11  ILE  24          HD11      ILE  24  -3.611  12.182  -5.439
  187   HD12  ILE  24          HD12      ILE  24  -3.676  13.713  -4.536
  188   HD13  ILE  24          HD13      ILE  24  -4.244  12.214  -3.780
  189    HA   PRO  25           HA       PRO  25  -8.871  14.560 -10.904
  190    HB2  PRO  25           HB2      PRO  25  -8.746  17.539 -10.394
  191    HB3  PRO  25           HB3      PRO  25 -10.007  16.591 -11.237
  192    HG2  PRO  25           HG2      PRO  25 -10.367  17.412  -8.664
  193    HG3  PRO  25           HG3      PRO  25 -10.855  15.752  -9.160
  194    HD2  PRO  25           HD2      PRO  25  -8.376  16.639  -7.691
  195    HD3  PRO  25           HD3      PRO  25  -9.412  15.231  -7.395
  196    H    LEU  26           H        LEU  26  -7.918  15.133 -12.978
  197    HA   LEU  26           HA       LEU  26  -5.182  15.440 -13.202
  198    HB2  LEU  26           HB2      LEU  26  -6.642  14.757 -15.029
  199    HB3  LEU  26           HB3      LEU  26  -7.373  16.368 -15.092
  200    HG   LEU  26           HG       LEU  26  -5.145  17.316 -15.783
  201   HD11  LEU  26          HD11      LEU  26  -4.339  14.376 -15.932
  202   HD12  LEU  26          HD12      LEU  26  -3.393  15.737 -16.579
  203   HD13  LEU  26          HD13      LEU  26  -3.641  15.589 -14.838
  204   HD21  LEU  26          HD21      LEU  26  -6.172  15.077 -17.561
  205   HD22  LEU  26          HD22      LEU  26  -6.888  16.695 -17.427
  206   HD23  LEU  26          HD23      LEU  26  -5.254  16.513 -18.069
  207    H    LYS  27           H        LYS  27  -7.570  18.080 -12.861
  208    HA   LYS  27           HA       LYS  27  -5.714  20.231 -13.346
  209    HB2  LYS  27           HB2      LYS  27  -8.411  20.116 -11.918
  210    HB3  LYS  27           HB3      LYS  27  -7.506  21.608 -12.186
  211    HG2  LYS  27           HG2      LYS  27  -7.531  21.234 -14.629
  212    HG3  LYS  27           HG3      LYS  27  -8.495  19.762 -14.400
  213    HD2  LYS  27           HD2      LYS  27 -10.347  21.064 -13.456
  214    HD3  LYS  27           HD3      LYS  27  -9.355  22.524 -13.438
  215    HE2  LYS  27           HE2      LYS  27 -10.850  22.698 -15.294
  216    HE3  LYS  27           HE3      LYS  27  -9.211  22.495 -15.910
  217    HZ1  LYS  27           HZ1      LYS  27 -10.808  21.141 -17.109
  218    HZ2  LYS  27           HZ2      LYS  27  -9.741  20.167 -16.363
  219    HZ3  LYS  27           HZ3      LYS  27 -11.257  20.353 -15.758
  220    H    GLU  28           H        GLU  28  -5.944  18.115 -10.664
  221    HA   GLU  28           HA       GLU  28  -4.865  20.131  -8.733
  222    HB2  GLU  28           HB2      GLU  28  -6.497  17.579  -8.395
  223    HB3  GLU  28           HB3      GLU  28  -5.825  18.484  -7.056
  224    HG2  GLU  28           HG2      GLU  28  -7.860  19.617  -9.054
  225    HG3  GLU  28           HG3      GLU  28  -8.280  18.921  -7.507
  226    H    VAL  29           H        VAL  29  -4.536  16.832 -10.075
  227    HA   VAL  29           HA       VAL  29  -2.781  15.805  -8.233
  228    HB   VAL  29           HB       VAL  29  -4.119  14.651 -10.041
  229   HG11  VAL  29          HG11      VAL  29  -3.161  14.177 -12.185
  230   HG12  VAL  29          HG12      VAL  29  -3.224  15.936 -11.990
  231   HG13  VAL  29          HG13      VAL  29  -1.683  15.076 -11.788
  232   HG21  VAL  29          HG21      VAL  29  -2.540  13.431  -8.575
  233   HG22  VAL  29          HG22      VAL  29  -2.704  12.711 -10.182
  234   HG23  VAL  29          HG23      VAL  29  -1.263  13.670  -9.796
  235    H    LYS  30           H        LYS  30  -1.936  17.934 -10.931
  236    HA   LYS  30           HA       LYS  30   0.804  17.339 -10.961
  237    HB2  LYS  30           HB2      LYS  30  -0.661  18.715 -12.624
  238    HB3  LYS  30           HB3      LYS  30  -0.340  20.098 -11.576
  239    HG2  LYS  30           HG2      LYS  30   2.087  19.858 -11.969
  240    HG3  LYS  30           HG3      LYS  30   1.812  18.370 -12.895
  241    HD2  LYS  30           HD2      LYS  30   0.519  19.662 -14.578
  242    HD3  LYS  30           HD3      LYS  30   0.802  21.150 -13.646
  243    HE2  LYS  30           HE2      LYS  30   3.263  20.826 -13.915
  244    HE3  LYS  30           HE3      LYS  30   2.963  19.370 -14.871
  245    HZ1  LYS  30           HZ1      LYS  30   1.830  20.771 -16.511
  246    HZ2  LYS  30           HZ2      LYS  30   2.122  22.112 -15.622
  247    HZ3  LYS  30           HZ3      LYS  30   3.359  21.285 -16.281
  248    H    GLU  31           H        GLU  31  -0.940  19.198  -8.582
  249    HA   GLU  31           HA       GLU  31   1.693  19.945  -7.341
  250    HB2  GLU  31           HB2      GLU  31  -1.072  21.168  -6.987
  251    HB3  GLU  31           HB3      GLU  31   0.354  21.571  -6.019
  252    HG2  GLU  31           HG2      GLU  31   1.549  22.272  -8.101
  253    HG3  GLU  31           HG3      GLU  31   0.081  21.966  -9.032
  254    H    ARG  32           H        ARG  32  -1.377  18.193  -6.962
  255    HA   ARG  32           HA       ARG  32  -0.964  17.972  -4.076
  256    HB2  ARG  32           HB2      ARG  32  -3.169  18.309  -5.228
  257    HB3  ARG  32           HB3      ARG  32  -3.109  16.628  -5.751
  258    HG2  ARG  32           HG2      ARG  32  -3.156  15.840  -3.437
  259    HG3  ARG  32           HG3      ARG  32  -2.910  17.479  -2.827
  260    HD2  ARG  32           HD2      ARG  32  -5.401  16.357  -4.157
  261    HD3  ARG  32           HD3      ARG  32  -5.221  16.845  -2.487
  262    HE   ARG  32           HE       ARG  32  -5.758  18.531  -4.799
  263   HH11  ARG  32          HH11      ARG  32  -4.552  18.601  -1.457
  264   HH12  ARG  32          HH12      ARG  32  -4.851  20.285  -1.248
  265   HH21  ARG  32          HH21      ARG  32  -6.163  20.733  -4.539
  266   HH22  ARG  32          HH22      ARG  32  -5.796  21.529  -3.038
  267    H    ILE  33           H        ILE  33  -0.220  15.872  -6.856
  268    HA   ILE  33           HA       ILE  33  -0.135  13.469  -5.367
  269    HB   ILE  33           HB       ILE  33  -0.119  13.647  -7.841
  270   HG12  ILE  33          HG12      ILE  33   1.574  11.738  -8.181
  271   HG13  ILE  33          HG13      ILE  33   1.943  11.882  -6.480
  272   HG21  ILE  33          HG21      ILE  33   2.881  14.054  -7.761
  273   HG22  ILE  33          HG22      ILE  33   1.774  14.119  -9.153
  274   HG23  ILE  33          HG23      ILE  33   1.759  15.406  -7.962
  275   HD11  ILE  33          HD11      ILE  33   0.289  10.112  -6.940
  276   HD12  ILE  33          HD12      ILE  33  -0.415  11.369  -5.911
  277   HD13  ILE  33          HD13      ILE  33  -0.816  11.307  -7.644
  278    H    ALA  34           H        ALA  34   2.234  16.099  -5.636
  279    HA   ALA  34           HA       ALA  34   4.424  14.773  -4.431
  280    HB1  ALA  34           HB1      ALA  34   5.289  17.049  -4.063
  281    HB2  ALA  34           HB2      ALA  34   4.584  16.905  -5.682
  282    HB3  ALA  34           HB3      ALA  34   3.684  17.734  -4.386
  283    H    THR  35           H        THR  35   1.426  15.526  -2.966
  284    HA   THR  35           HA       THR  35   2.639  15.422  -0.237
  285    HB   THR  35           HB       THR  35  -0.061  16.566  -1.056
  286    HG1  THR  35           HG1      THR  35   1.632  17.817  -1.888
  287   HG21  THR  35          HG21      THR  35   0.024  15.890   1.310
  288   HG22  THR  35          HG22      THR  35   1.540  16.790   1.536
  289   HG23  THR  35          HG23      THR  35   0.026  17.653   1.176
  290    H    ALA  36           H        ALA  36   0.047  14.167  -2.428
  291    HA   ALA  36           HA       ALA  36  -0.997  12.303  -0.514
  292    HB1  ALA  36           HB1      ALA  36  -2.123  11.321  -2.472
  293    HB2  ALA  36           HB2      ALA  36  -2.252  13.092  -2.482
  294    HB3  ALA  36           HB3      ALA  36  -1.099  12.272  -3.565
  295    H    VAL  37           H        VAL  37   1.573  12.063  -2.994
  296    HA   VAL  37           HA       VAL  37   2.471   9.475  -1.886
  297    HB   VAL  37           HB       VAL  37   2.146   9.953  -4.879
  298   HG11  VAL  37          HG11      VAL  37   2.634   7.534  -5.020
  299   HG12  VAL  37          HG12      VAL  37   3.952   8.375  -4.208
  300   HG13  VAL  37          HG13      VAL  37   2.784   7.443  -3.252
  301   HG21  VAL  37          HG21      VAL  37   0.351   8.233  -4.813
  302   HG22  VAL  37          HG22      VAL  37   0.357   8.322  -3.038
  303   HG23  VAL  37          HG23      VAL  37  -0.113   9.731  -4.011
  304    HA   PRO  38           HA       PRO  38   5.533  12.919  -2.495
  305    HB2  PRO  38           HB2      PRO  38   6.910  12.697  -0.125
  306    HB3  PRO  38           HB3      PRO  38   5.364  13.580  -0.289
  307    HG2  PRO  38           HG2      PRO  38   5.792  10.747   0.692
  308    HG3  PRO  38           HG3      PRO  38   4.788  12.038   1.427
  309    HD2  PRO  38           HD2      PRO  38   3.716  10.103  -0.165
  310    HD3  PRO  38           HD3      PRO  38   3.103  11.781  -0.201
  311    H    ASP  39           H        ASP  39   5.985   9.516  -1.586
  312    HA   ASP  39           HA       ASP  39   8.789   9.403  -2.410
  313    HB2  ASP  39           HB2      ASP  39   7.957   7.884  -0.692
  314    HB3  ASP  39           HB3      ASP  39   6.767   7.212  -1.812
  315    H    LYS  40           H        LYS  40   9.055   9.971  -4.534
  316    HA   LYS  40           HA       LYS  40   7.160   9.302  -6.588
  317    HB2  LYS  40           HB2      LYS  40  10.045  10.232  -6.886
  318    HB3  LYS  40           HB3      LYS  40   8.804  10.216  -8.146
  319    HG2  LYS  40           HG2      LYS  40   7.404  11.720  -6.583
  320    HG3  LYS  40           HG3      LYS  40   8.886  11.959  -5.658
  321    HD2  LYS  40           HD2      LYS  40   8.449  12.641  -8.597
  322    HD3  LYS  40           HD3      LYS  40   8.494  13.782  -7.245
  323    HE2  LYS  40           HE2      LYS  40  10.869  13.049  -6.775
  324    HE3  LYS  40           HE3      LYS  40  10.804  12.051  -8.236
  325    HZ1  LYS  40           HZ1      LYS  40  11.804  14.156  -8.744
  326    HZ2  LYS  40           HZ2      LYS  40  10.342  14.112  -9.492
  327    HZ3  LYS  40           HZ3      LYS  40  10.551  14.999  -8.131
  328    H    ASN  41           H        ASN  41   9.226   7.193  -4.993
  329    HA   ASN  41           HA       ASN  41   9.518   5.484  -7.397
  330    HB2  ASN  41           HB2      ASN  41  11.687   6.231  -6.400
  331    HB3  ASN  41           HB3      ASN  41  11.222   5.427  -4.896
  332   HD21  ASN  41          HD22      ASN  41  12.718   3.696  -4.864
  333   HD22  ASN  41          HD21      ASN  41  12.857   2.519  -6.143
  334    H    ASP  42           H        ASP  42   7.084   5.721  -6.100
  335    HA   ASP  42           HA       ASP  42   6.716   2.905  -5.327
  336    HB2  ASP  42           HB2      ASP  42   6.618   4.221  -3.202
  337    HB3  ASP  42           HB3      ASP  42   5.320   5.204  -3.902
  338    H    THR  43           H        THR  43   4.657   2.103  -6.073
  339    HA   THR  43           HA       THR  43   4.123   3.125  -8.625
  340    HB   THR  43           HB       THR  43   2.231   1.225  -7.273
  341    HG1  THR  43           HG1      THR  43   3.801   0.208  -6.478
  342   HG21  THR  43          HG21      THR  43   2.552  -0.061  -9.392
  343   HG22  THR  43          HG22      THR  43   1.936   1.573  -9.670
  344   HG23  THR  43          HG23      THR  43   3.652   1.211  -9.969
  345    H    VAL  44           H        VAL  44   2.149   3.927  -9.571
  346    HA   VAL  44           HA       VAL  44  -0.037   4.660  -7.724
  347    HB   VAL  44           HB       VAL  44   0.959   6.535  -9.909
  348   HG11  VAL  44          HG11      VAL  44  -0.616   8.130  -8.829
  349   HG12  VAL  44          HG12      VAL  44  -1.460   6.695  -9.415
  350   HG13  VAL  44          HG13      VAL  44  -1.106   6.852  -7.688
  351   HG21  VAL  44          HG21      VAL  44   2.632   6.603  -8.114
  352   HG22  VAL  44          HG22      VAL  44   1.658   8.072  -8.079
  353   HG23  VAL  44          HG23      VAL  44   1.348   6.779  -6.897
  354    H    LYS  45           H        LYS  45  -2.017   4.176  -8.607
  355    HA   LYS  45           HA       LYS  45  -2.087   3.108 -11.400
  356    HB2  LYS  45           HB2      LYS  45  -3.904   2.424  -9.043
  357    HB3  LYS  45           HB3      LYS  45  -4.017   1.770 -10.670
  358    HG2  LYS  45           HG2      LYS  45  -1.776   1.282  -8.662
  359    HG3  LYS  45           HG3      LYS  45  -3.047   0.157  -9.136
  360    HD2  LYS  45           HD2      LYS  45  -2.134   0.214 -11.498
  361    HD3  LYS  45           HD3      LYS  45  -0.766   1.174 -10.881
  362    HE2  LYS  45           HE2      LYS  45  -0.262  -0.657  -9.244
  363    HE3  LYS  45           HE3      LYS  45  -1.602  -1.598  -9.908
  364    HZ1  LYS  45           HZ1      LYS  45   0.447  -2.323 -10.878
  365    HZ2  LYS  45           HZ2      LYS  45  -0.427  -1.606 -12.061
  366    HZ3  LYS  45           HZ3      LYS  45   0.846  -0.823 -11.384
  367    H    VAL  46           H        VAL  46  -3.305   4.393 -12.734
  368    HA   VAL  46           HA       VAL  46  -5.104   6.392 -11.440
  369    HB   VAL  46           HB       VAL  46  -4.510   7.951 -13.255
  370   HG11  VAL  46          HG11      VAL  46  -2.096   7.094 -11.611
  371   HG12  VAL  46          HG12      VAL  46  -2.425   8.703 -12.279
  372   HG13  VAL  46          HG13      VAL  46  -3.458   8.058 -10.993
  373   HG21  VAL  46          HG21      VAL  46  -2.448   7.677 -14.549
  374   HG22  VAL  46          HG22      VAL  46  -2.197   6.055 -13.881
  375   HG23  VAL  46          HG23      VAL  46  -3.579   6.384 -14.947
  376    H    TYR  47           H        TYR  47  -7.077   6.796 -12.365
  377    HA   TYR  47           HA       TYR  47  -7.801   5.652 -14.924
  378    HB2  TYR  47           HB2      TYR  47  -9.556   4.243 -14.198
  379    HB3  TYR  47           HB3      TYR  47  -8.098   3.710 -13.389
  380    HD1  TYR  47           HD2      TYR  47  -7.754   4.342 -10.916
  381    HD2  TYR  47           HD1      TYR  47 -11.498   4.903 -12.996
  382    HE1  TYR  47           HE2      TYR  47  -8.929   4.529  -8.743
  383    HE2  TYR  47           HE1      TYR  47 -12.674   5.079 -10.831
  384    HH   TYR  47           HH       TYR  47 -10.972   4.853  -7.686
  385    H    CYS  48           H        CYS  48 -10.196   6.279 -15.321
  386    HA   CYS  48           HA       CYS  48 -11.316   8.345 -13.666
  387    HB2  CYS  48           HB2      CYS  48 -11.327  10.126 -15.412
  388    HB3  CYS  48           HB3      CYS  48  -9.696   9.736 -14.880
  389    HG   CYS  48           HG       CYS  48  -9.120   8.144 -16.849
  390    H    ASN  49           H        ASN  49 -13.032   9.289 -15.883
  391    HA   ASN  49           HA       ASN  49 -15.062   7.337 -15.825
  392    HB2  ASN  49           HB2      ASN  49 -15.228   9.832 -16.365
  393    HB3  ASN  49           HB3      ASN  49 -14.648   9.464 -17.981
  394   HD21  ASN  49          HD22      ASN  49 -16.173   6.898 -18.300
  395   HD22  ASN  49          HD21      ASN  49 -17.849   7.392 -18.447
  396    H    ALA  50           H        ALA  50 -12.663   8.031 -18.407
  397    HA   ALA  50           HA       ALA  50 -13.215   5.353 -19.611
  398    HB1  ALA  50           HB1      ALA  50 -14.558   7.065 -20.772
  399    HB2  ALA  50           HB2      ALA  50 -13.086   8.008 -21.101
  400    HB3  ALA  50           HB3      ALA  50 -13.296   6.402 -21.827
  401    H    GLY  51           H        GLY  51 -10.822   8.064 -19.339
  402    HA2  GLY  51           HA2      GLY  51  -8.646   6.640 -18.876
  403    HA3  GLY  51           HA3      GLY  51  -8.753   6.369 -20.615
  404    H    ARG  52           H        ARG  52  -9.790   9.305 -20.975
  405    HA   ARG  52           HA       ARG  52  -7.252  10.352 -21.713
  406    HB2  ARG  52           HB2      ARG  52  -9.840  11.881 -21.218
  407    HB3  ARG  52           HB3      ARG  52  -8.395  12.518 -22.020
  408    HG2  ARG  52           HG2      ARG  52  -8.587  10.765 -23.774
  409    HG3  ARG  52           HG3      ARG  52 -10.079  10.179 -23.029
  410    HD2  ARG  52           HD2      ARG  52  -9.629  12.982 -24.145
  411    HD3  ARG  52           HD3      ARG  52 -10.477  11.689 -24.983
  412    HE   ARG  52           HE       ARG  52 -11.453  13.376 -22.817
  413   HH11  ARG  52          HH21      ARG  52 -12.025  10.340 -24.570
  414   HH12  ARG  52          HH22      ARG  52 -13.686  10.228 -24.121
  415   HH21  ARG  52          HH11      ARG  52 -13.666  13.229 -22.221
  416   HH22  ARG  52          HH12      ARG  52 -14.634  11.909 -22.753
  417    H    GLN  53           H        GLN  53  -9.119  11.345 -18.830
  418    HA   GLN  53           HA       GLN  53  -7.091  13.137 -17.979
  419    HB2  GLN  53           HB2      GLN  53  -9.189  11.641 -16.367
  420    HB3  GLN  53           HB3      GLN  53  -8.026  12.735 -15.644
  421    HG2  GLN  53           HG2      GLN  53 -10.161  13.883 -15.973
  422    HG3  GLN  53           HG3      GLN  53  -8.856  14.628 -16.884
  423   HE21  GLN  53          HE22      GLN  53 -11.328  11.980 -17.445
  424   HE22  GLN  53          HE21      GLN  53 -11.778  12.563 -19.022
  425    H    SER  54           H        SER  54  -7.293   9.587 -17.658
  426    HA   SER  54           HA       SER  54  -5.180   9.329 -15.728
  427    HB2  SER  54           HB2      SER  54  -6.105   7.222 -17.690
  428    HB3  SER  54           HB3      SER  54  -5.481   7.026 -16.042
  429    HG   SER  54           HG       SER  54  -7.391   8.264 -15.381
  430    H    GLY  55           H        GLY  55  -5.267   8.999 -19.331
  431    HA2  GLY  55           HA2      GLY  55  -2.478   8.346 -19.589
  432    HA3  GLY  55           HA3      GLY  55  -3.529   9.037 -20.846
  433    H    GLN  56           H        GLN  56  -4.324  11.414 -19.738
  434    HA   GLN  56           HA       GLN  56  -2.190  13.206 -20.137
  435    HB2  GLN  56           HB2      GLN  56  -4.966  13.362 -18.935
  436    HB3  GLN  56           HB3      GLN  56  -3.885  14.775 -18.903
  437    HG2  GLN  56           HG2      GLN  56  -3.669  14.677 -21.356
  438    HG3  GLN  56           HG3      GLN  56  -4.708  13.253 -21.413
  439   HE21  GLN  56          HE22      GLN  56  -4.664  16.721 -21.381
  440   HE22  GLN  56          HE21      GLN  56  -6.385  16.963 -21.233
  441    H    ALA  57           H        ALA  57  -3.568  11.935 -17.028
  442    HA   ALA  57           HA       ALA  57  -1.780  13.373 -15.352
  443    HB1  ALA  57           HB1      ALA  57  -2.438  11.758 -13.613
  444    HB2  ALA  57           HB2      ALA  57  -3.844  12.383 -14.496
  445    HB3  ALA  57           HB3      ALA  57  -3.227  10.745 -14.838
  446    H    LYS  58           H        LYS  58  -1.525  10.058 -16.811
  447    HA   LYS  58           HA       LYS  58   0.873   9.365 -15.483
  448    HB2  LYS  58           HB2      LYS  58  -0.574   7.776 -16.743
  449    HB3  LYS  58           HB3      LYS  58  -0.015   8.491 -18.267
  450    HG2  LYS  58           HG2      LYS  58   2.316   7.854 -17.713
  451    HG3  LYS  58           HG3      LYS  58   1.775   7.183 -16.165
  452    HD2  LYS  58           HD2      LYS  58   0.393   5.519 -17.378
  453    HD3  LYS  58           HD3      LYS  58   0.935   6.180 -18.927
  454    HE2  LYS  58           HE2      LYS  58   2.727   4.934 -16.784
  455    HE3  LYS  58           HE3      LYS  58   2.168   4.117 -18.243
  456    HZ1  LYS  58           HZ1      LYS  58   4.388   4.959 -18.543
  457    HZ2  LYS  58           HZ2      LYS  58   3.397   5.757 -19.555
  458    HZ3  LYS  58           HZ3      LYS  58   3.951   6.489 -18.195
  459    H    GLU  59           H        GLU  59   0.395  11.261 -18.512
  460    HA   GLU  59           HA       GLU  59   3.141  11.396 -19.201
  461    HB2  GLU  59           HB2      GLU  59   0.831  13.303 -19.732
  462    HB3  GLU  59           HB3      GLU  59   2.467  13.583 -20.337
  463    HG2  GLU  59           HG2      GLU  59   2.440  11.398 -21.495
  464    HG3  GLU  59           HG3      GLU  59   0.795  11.110 -20.943
  465    H    ILE  60           H        ILE  60   1.227  13.807 -17.151
  466    HA   ILE  60           HA       ILE  60   3.611  15.298 -16.658
  467    HB   ILE  60           HB       ILE  60   2.290  16.451 -14.962
  468   HG12  ILE  60          HG12      ILE  60   0.110  14.448 -15.610
  469   HG13  ILE  60          HG13      ILE  60   0.963  14.580 -14.057
  470   HG21  ILE  60          HG21      ILE  60   0.782  17.514 -16.525
  471   HG22  ILE  60          HG22      ILE  60   2.201  16.988 -17.426
  472   HG23  ILE  60          HG23      ILE  60   0.694  16.051 -17.529
  473   HD11  ILE  60          HD11      ILE  60  -0.887  16.656 -15.266
  474   HD12  ILE  60          HD12      ILE  60  -1.250  15.540 -13.952
  475   HD13  ILE  60          HD13      ILE  60  -0.010  16.788 -13.707
  476    H    LEU  61           H        LEU  61   2.132  12.520 -14.933
  477    HA   LEU  61           HA       LEU  61   3.811  12.746 -12.619
  478    HB2  LEU  61           HB2      LEU  61   2.422  10.373 -13.931
  479    HB3  LEU  61           HB3      LEU  61   3.311  10.251 -12.416
  480    HG   LEU  61           HG       LEU  61   0.983  12.184 -12.762
  481   HD11  LEU  61          HD11      LEU  61   0.942   9.369 -11.587
  482   HD12  LEU  61          HD12      LEU  61  -0.398  10.537 -11.568
  483   HD13  LEU  61          HD13      LEU  61   0.167   9.881 -13.107
  484   HD21  LEU  61          HD21      LEU  61   0.940  12.143 -10.325
  485   HD22  LEU  61          HD22      LEU  61   2.364  11.069 -10.297
  486   HD23  LEU  61          HD23      LEU  61   2.497  12.729 -10.913
  487    H    SER  62           H        SER  62   4.261  11.123 -15.778
  488    HA   SER  62           HA       SER  62   6.789   9.938 -15.133
  489    HB2  SER  62           HB2      SER  62   5.733  10.832 -17.849
  490    HB3  SER  62           HB3      SER  62   7.036   9.673 -17.543
  491    HG   SER  62           HG       SER  62   4.270   9.435 -16.924
  492    H    GLU  63           H        GLU  63   5.863  13.138 -16.544
  493    HA   GLU  63           HA       GLU  63   8.520  14.065 -16.948
  494    HB2  GLU  63           HB2      GLU  63   6.453  15.012 -17.960
  495    HB3  GLU  63           HB3      GLU  63   5.988  15.669 -16.385
  496    HG2  GLU  63           HG2      GLU  63   8.015  17.076 -16.349
  497    HG3  GLU  63           HG3      GLU  63   8.560  16.360 -17.869
  498    H    MET  64           H        MET  64   6.335  14.304 -14.108
  499    HA   MET  64           HA       MET  64   8.131  15.807 -12.441
  500    HB2  MET  64           HB2      MET  64   5.751  14.004 -11.847
  501    HB3  MET  64           HB3      MET  64   6.639  14.875 -10.593
  502    HG2  MET  64           HG2      MET  64   6.106  17.023 -11.604
  503    HG3  MET  64           HG3      MET  64   5.348  16.239 -12.979
  504    HE1  MET  64           HE1      MET  64   5.052  15.718  -8.990
  505    HE2  MET  64           HE2      MET  64   5.041  17.459  -9.356
  506    HE3  MET  64           HE3      MET  64   3.577  16.675  -8.737
  507    H    GLY  65           H        GLY  65   8.256  12.507 -13.494
  508    HA2  GLY  65           HA2      GLY  65  10.175  11.246 -13.254
  509    HA3  GLY  65           HA3      GLY  65  10.642  12.147 -11.809
  510    H    TYR  66           H        TYR  66   7.335  10.840 -11.998
  511    HA   TYR  66           HA       TYR  66   7.828   8.995  -9.799
  512    HB2  TYR  66           HB2      TYR  66   5.456   9.450 -11.629
  513    HB3  TYR  66           HB3      TYR  66   5.540   8.105 -10.499
  514    HD1  TYR  66           HD2      TYR  66   5.675  11.858 -10.641
  515    HD2  TYR  66           HD1      TYR  66   5.075   8.362  -8.184
  516    HE1  TYR  66           HE2      TYR  66   5.111  13.311  -8.719
  517    HE2  TYR  66           HE1      TYR  66   4.504   9.805  -6.263
  518    HH   TYR  66           HH       TYR  66   4.394  11.969  -5.459
  519    H    THR  67           H        THR  67   8.823   7.048 -10.019
  520    HA   THR  67           HA       THR  67   9.997   6.453 -12.527
  521    HB   THR  67           HB       THR  67  10.917   4.471 -11.289
  522    HG1  THR  67           HG1      THR  67  10.358   4.310  -9.099
  523   HG21  THR  67          HG21      THR  67  11.993   6.729 -11.115
  524   HG22  THR  67          HG22      THR  67  11.017   7.066  -9.669
  525   HG23  THR  67          HG23      THR  67  12.207   5.748  -9.657
  526    H    HIS  68           H        HIS  68   7.049   5.207 -11.043
  527    HA   HIS  68           HA       HIS  68   6.434   3.701 -13.457
  528    HB2  HIS  68           HB2      HIS  68   5.955   1.614 -12.288
  529    HB3  HIS  68           HB3      HIS  68   7.660   2.005 -12.317
  530    HD1  HIS  68           HD1      HIS  68   6.483  -0.097 -10.294
  531    HD2  HIS  68           HD2      HIS  68   7.288   3.949  -9.451
  532    HE1  HIS  68           HE1      HIS  68   6.911   0.055  -7.795
  533    H    VAL  69           H        VAL  69   4.394   3.943 -13.928
  534    HA   VAL  69           HA       VAL  69   2.286   4.311 -11.944
  535    HB   VAL  69           HB       VAL  69   2.879   6.304 -14.190
  536   HG11  VAL  69          HG11      VAL  69   0.456   6.003 -13.987
  537   HG12  VAL  69          HG12      VAL  69   0.543   6.252 -12.230
  538   HG13  VAL  69          HG13      VAL  69   0.920   7.573 -13.357
  539   HG21  VAL  69          HG21      VAL  69   4.314   6.834 -12.323
  540   HG22  VAL  69          HG22      VAL  69   2.999   8.000 -12.348
  541   HG23  VAL  69          HG23      VAL  69   2.971   6.673 -11.170
  542    H    GLU  70           H        GLU  70   0.254   3.585 -12.947
  543    HA   GLU  70           HA       GLU  70   0.446   2.603 -15.750
  544    HB2  GLU  70           HB2      GLU  70   1.076   0.719 -14.322
  545    HB3  GLU  70           HB3      GLU  70  -0.355   0.961 -13.313
  546    HG2  GLU  70           HG2      GLU  70  -1.829   0.359 -15.172
  547    HG3  GLU  70           HG3      GLU  70  -0.454   0.291 -16.284
  548    H    ASN  71           H        ASN  71  -1.433   2.941 -16.866
  549    HA   ASN  71           HA       ASN  71  -3.710   4.141 -15.448
  550    HB2  ASN  71           HB2      ASN  71  -3.325   5.141 -17.582
  551    HB3  ASN  71           HB3      ASN  71  -3.195   3.563 -18.379
  552   HD21  ASN  71          HD22      ASN  71  -5.720   4.743 -15.980
  553   HD22  ASN  71          HD21      ASN  71  -7.042   4.501 -17.094
  554    H    ALA  72           H        ALA  72  -4.972   2.732 -14.344
  555    HA   ALA  72           HA       ALA  72  -4.926  -0.101 -14.772
  556    HB1  ALA  72           HB1      ALA  72  -6.912   1.643 -13.245
  557    HB2  ALA  72           HB2      ALA  72  -6.770  -0.122 -13.127
  558    HB3  ALA  72           HB3      ALA  72  -5.430   0.907 -12.587
  559    H    GLY  73           H        GLY  73  -6.978   2.485 -16.080
  560    HA2  GLY  73           HA2      GLY  73  -7.986   1.524 -18.327
  561    HA3  GLY  73           HA3      GLY  73  -8.966   0.604 -17.166
  562    H    GLY  74           H        GLY  74 -10.931   1.626 -17.432
  563    HA2  GLY  74           HA2      GLY  74 -11.131   4.284 -16.192
  564    HA3  GLY  74           HA3      GLY  74 -11.944   4.041 -17.750
  565    H    LEU  75           H        LEU  75 -13.436   4.645 -15.563
  566    HA   LEU  75           HA       LEU  75 -14.243   2.712 -13.793
  567    HB2  LEU  75           HB2      LEU  75 -14.855   5.196 -13.929
  568    HB3  LEU  75           HB3      LEU  75 -16.077   4.760 -15.119
  569    HG   LEU  75           HG       LEU  75 -17.161   3.264 -13.335
  570   HD11  LEU  75          HD11      LEU  75 -15.296   2.852 -11.838
  571   HD12  LEU  75          HD12      LEU  75 -15.027   4.592 -11.609
  572   HD13  LEU  75          HD13      LEU  75 -16.489   3.815 -10.961
  573   HD21  LEU  75          HD21      LEU  75 -16.832   6.220 -12.726
  574   HD22  LEU  75          HD22      LEU  75 -18.010   5.497 -13.836
  575   HD23  LEU  75          HD23      LEU  75 -18.124   5.171 -12.102
  576    H    LYS  76           H        LYS  76 -15.367   3.125 -17.127
  577    HA   LYS  76           HA       LYS  76 -17.562   1.258 -16.943
  578    HB2  LYS  76           HB2      LYS  76 -16.085   2.356 -19.377
  579    HB3  LYS  76           HB3      LYS  76 -17.637   1.510 -19.404
  580    HG2  LYS  76           HG2      LYS  76 -18.598   3.315 -17.928
  581    HG3  LYS  76           HG3      LYS  76 -17.094   4.222 -18.118
  582    HD2  LYS  76           HD2      LYS  76 -18.983   3.385 -20.360
  583    HD3  LYS  76           HD3      LYS  76 -18.857   5.001 -19.654
  584    HE2  LYS  76           HE2      LYS  76 -16.486   5.148 -20.421
  585    HE3  LYS  76           HE3      LYS  76 -16.628   3.544 -21.149
  586    HZ1  LYS  76           HZ1      LYS  76 -18.346   4.424 -22.617
  587    HZ2  LYS  76           HZ2      LYS  76 -18.214   5.914 -21.958
  588    HZ3  LYS  76           HZ3      LYS  76 -16.968   5.272 -22.790
  589    H    ASP  77           H        ASP  77 -14.202   0.630 -17.014
  590    HA   ASP  77           HA       ASP  77 -14.595  -1.979 -18.441
  591    HB2  ASP  77           HB2      ASP  77 -13.466  -0.341 -19.854
  592    HB3  ASP  77           HB3      ASP  77 -12.284  -0.018 -18.584
  593    H    ILE  78           H        ILE  78 -12.929  -0.279 -15.762
  594    HA   ILE  78           HA       ILE  78 -11.279  -2.460 -14.950
  595    HB   ILE  78           HB       ILE  78 -12.463  -0.071 -13.485
  596   HG12  ILE  78          HG12      ILE  78  -9.571  -0.657 -14.283
  597   HG13  ILE  78          HG13      ILE  78 -10.686   0.181 -15.353
  598   HG21  ILE  78          HG21      ILE  78 -10.783  -0.567 -11.661
  599   HG22  ILE  78          HG22      ILE  78 -12.084  -1.737 -11.765
  600   HG23  ILE  78          HG23      ILE  78 -10.471  -2.133 -12.421
  601   HD11  ILE  78          HD11      ILE  78  -9.345   1.800 -14.214
  602   HD12  ILE  78          HD12      ILE  78 -11.022   1.958 -13.655
  603   HD13  ILE  78          HD13      ILE  78  -9.799   1.179 -12.623
  604    H    ALA  79           H        ALA  79 -11.761  -4.343 -13.931
  605    HA   ALA  79           HA       ALA  79 -14.549  -5.087 -13.742
  606    HB1  ALA  79           HB1      ALA  79 -13.640  -7.338 -13.354
  607    HB2  ALA  79           HB2      ALA  79 -12.812  -6.559 -14.713
  608    HB3  ALA  79           HB3      ALA  79 -12.013  -6.666 -13.124
  609    H    MET  80           H        MET  80 -12.367  -3.809 -11.414
  610    HA   MET  80           HA       MET  80 -13.124  -5.228  -9.060
  611    HB2  MET  80           HB2      MET  80 -12.032  -2.429  -9.556
  612    HB3  MET  80           HB3      MET  80 -12.306  -3.058  -7.936
  613    HG2  MET  80           HG2      MET  80 -10.760  -4.919  -8.346
  614    HG3  MET  80           HG3      MET  80 -10.523  -4.383 -10.008
  615    HE1  MET  80           HE1      MET  80 -10.628  -2.169  -6.627
  616    HE2  MET  80           HE2      MET  80  -9.793  -3.685  -6.213
  617    HE3  MET  80           HE3      MET  80  -8.892  -2.154  -6.268
  618    HA   PRO  81           HA       PRO  81 -17.115  -3.439  -8.100
  619    HB2  PRO  81           HB2      PRO  81 -17.091  -3.236  -5.353
  620    HB3  PRO  81           HB3      PRO  81 -17.219  -4.790  -6.232
  621    HG2  PRO  81           HG2      PRO  81 -14.728  -3.503  -5.078
  622    HG3  PRO  81           HG3      PRO  81 -15.290  -5.195  -4.886
  623    HD2  PRO  81           HD2      PRO  81 -13.422  -4.523  -6.727
  624    HD3  PRO  81           HD3      PRO  81 -14.670  -5.744  -7.102
  625    H    LYS  82           H        LYS  82 -18.156  -1.489  -7.056
  626    HA   LYS  82           HA       LYS  82 -16.317   0.835  -6.879
  627    HB2  LYS  82           HB2      LYS  82 -18.873   0.737  -8.555
  628    HB3  LYS  82           HB3      LYS  82 -17.880   2.143  -8.222
  629    HG2  LYS  82           HG2      LYS  82 -17.176   1.692 -10.309
  630    HG3  LYS  82           HG3      LYS  82 -15.948   0.830  -9.382
  631    HD2  LYS  82           HD2      LYS  82 -17.246  -1.291  -9.770
  632    HD3  LYS  82           HD3      LYS  82 -18.418  -0.374 -10.729
  633    HE2  LYS  82           HE2      LYS  82 -16.756   0.181 -12.396
  634    HE3  LYS  82           HE3      LYS  82 -15.439  -0.374 -11.347
  635    HZ1  LYS  82           HZ1      LYS  82 -17.481  -2.147 -12.544
  636    HZ2  LYS  82           HZ2      LYS  82 -15.900  -2.014 -12.999
  637    HZ3  LYS  82           HZ3      LYS  82 -16.254  -2.598 -11.523
  638    H    VAL  83           H        VAL  83 -17.282   2.697  -5.873
  639    HA   VAL  83           HA       VAL  83 -19.790   2.382  -4.377
  640    HB   VAL  83           HB       VAL  83 -18.708   3.142  -2.277
  641   HG11  VAL  83          HG11      VAL  83 -17.474   0.521  -3.210
  642   HG12  VAL  83          HG12      VAL  83 -17.800   1.035  -1.542
  643   HG13  VAL  83          HG13      VAL  83 -19.149   0.717  -2.643
  644   HG21  VAL  83          HG21      VAL  83 -16.661   4.169  -3.123
  645   HG22  VAL  83          HG22      VAL  83 -16.261   2.912  -1.952
  646   HG23  VAL  83          HG23      VAL  83 -16.054   2.603  -3.691
  647    H    LYS  84           H        LYS  84 -20.523   4.538  -3.582
  648    HA   LYS  84           HA       LYS  84 -19.960   6.678  -5.464
  649    HB2  LYS  84           HB2      LYS  84 -21.448   6.664  -2.799
  650    HB3  LYS  84           HB3      LYS  84 -21.437   8.007  -3.935
  651    HG2  LYS  84           HG2      LYS  84 -22.581   5.238  -4.525
  652    HG3  LYS  84           HG3      LYS  84 -23.503   6.674  -4.066
  653    HD2  LYS  84           HD2      LYS  84 -22.635   7.829  -6.141
  654    HD3  LYS  84           HD3      LYS  84 -21.830   6.318  -6.582
  655    HE2  LYS  84           HE2      LYS  84 -23.842   6.417  -7.833
  656    HE3  LYS  84           HE3      LYS  84 -24.022   5.147  -6.619
  657    HZ1  LYS  84           HZ1      LYS  84 -25.997   6.532  -6.786
  658    HZ2  LYS  84           HZ2      LYS  84 -25.354   6.703  -5.301
  659    HZ3  LYS  84           HZ3      LYS  84 -25.163   7.881  -6.424
  660    H    GLY  85           H        GLY  85 -19.244   8.851  -4.796
  661    HA2  GLY  85           HA2      GLY  85 -16.707   8.931  -3.489
  662    HA3  GLY  85           HA3      GLY  85 -17.760  10.316  -3.831
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1   5.346  -0.547  -3.286
    2    H2   ALA   1           H2       ALA   1   5.305   1.037  -2.883
    3    H3   ALA   1           H3       ALA   1   5.686  -0.096  -1.737
    4    HA   ALA   1           HA       ALA   1   3.485  -1.036  -1.915
    5    HB1  ALA   1           HB1      ALA   1   3.422   1.964  -1.346
    6    HB2  ALA   1           HB2      ALA   1   2.274   0.743  -0.752
    7    HB3  ALA   1           HB3      ALA   1   3.949   0.715  -0.198
    8    H    GLU   2           H        GLU   2   1.210   0.814  -2.445
    9    HA   GLU   2           HA       GLU   2   1.237   1.367  -5.299
   10    HB2  GLU   2           HB2      GLU   2   0.787  -1.096  -5.174
   11    HB3  GLU   2           HB3      GLU   2  -0.562  -0.790  -4.079
   12    HG2  GLU   2           HG2      GLU   2  -1.739   0.449  -5.882
   13    HG3  GLU   2           HG3      GLU   2  -0.364   0.190  -6.960
   14    H    HIS   3           H        HIS   3  -0.610   2.709  -5.814
   15    HA   HIS   3           HA       HIS   3  -2.563   3.379  -3.717
   16    HB2  HIS   3           HB2      HIS   3  -0.757   5.383  -5.159
   17    HB3  HIS   3           HB3      HIS   3  -2.312   5.825  -4.468
   18    HD1  HIS   3           HD1      HIS   3  -2.353   6.378  -1.903
   19    HD2  HIS   3           HD2      HIS   3   1.172   4.541  -3.291
   20    HE1  HIS   3           HE1      HIS   3  -0.686   6.494   0.014
   21    H    TRP   4           H        TRP   4  -4.536   4.081  -4.700
   22    HA   TRP   4           HA       TRP   4  -4.712   3.863  -7.673
   23    HB2  TRP   4           HB2      TRP   4  -6.655   2.910  -5.535
   24    HB3  TRP   4           HB3      TRP   4  -7.128   3.207  -7.191
   25    HD1  TRP   4           HD1      TRP   4  -4.488   1.041  -5.342
   26    HE1  TRP   4           HE1      TRP   4  -4.156  -1.152  -6.577
   27    HE3  TRP   4           HE3      TRP   4  -7.683   1.881  -9.259
   28    HZ2  TRP   4           HZ2      TRP   4  -5.268  -2.464  -8.941
   29    HZ3  TRP   4           HZ3      TRP   4  -8.025   0.138 -10.983
   30    HH2  TRP   4           HH2      TRP   4  -6.823  -2.031 -10.840
   31    H    ILE   5           H        ILE   5  -4.990   5.900  -8.389
   32    HA   ILE   5           HA       ILE   5  -6.502   7.840  -6.690
   33    HB   ILE   5           HB       ILE   5  -3.994   8.296  -8.351
   34   HG12  ILE   5          HG12      ILE   5  -4.423   8.613  -5.342
   35   HG13  ILE   5          HG13      ILE   5  -3.645   7.217  -6.086
   36   HG21  ILE   5          HG21      ILE   5  -4.141  10.654  -7.588
   37   HG22  ILE   5          HG22      ILE   5  -5.552  10.217  -8.530
   38   HG23  ILE   5          HG23      ILE   5  -5.675  10.293  -6.761
   39   HD11  ILE   5          HD11      ILE   5  -1.935   8.618  -5.265
   40   HD12  ILE   5          HD12      ILE   5  -1.914   8.796  -7.033
   41   HD13  ILE   5          HD13      ILE   5  -2.630  10.064  -6.005
   42    H    ASP   6           H        ASP   6  -8.431   8.038  -7.682
   43    HA   ASP   6           HA       ASP   6  -8.838   7.815 -10.560
   44    HB2  ASP   6           HB2      ASP   6 -10.568   7.367  -8.871
   45    HB3  ASP   6           HB3      ASP   6 -10.466   9.010  -8.296
   46    H    VAL   7           H        VAL   7  -8.931   9.558 -11.986
   47    HA   VAL   7           HA       VAL   7  -8.022  12.215 -11.003
   48    HB   VAL   7           HB       VAL   7  -6.494  12.379 -12.958
   49   HG11  VAL   7          HG11      VAL   7  -5.789  10.067 -11.113
   50   HG12  VAL   7          HG12      VAL   7  -4.664  11.072 -12.046
   51   HG13  VAL   7          HG13      VAL   7  -5.601  11.784 -10.728
   52   HG21  VAL   7          HG21      VAL   7  -7.503  10.567 -14.370
   53   HG22  VAL   7          HG22      VAL   7  -5.756  10.411 -14.146
   54   HG23  VAL   7          HG23      VAL   7  -6.859   9.364 -13.230
   55    H    ARG   8           H        ARG   8 -10.634  10.808 -12.260
   56    HA   ARG   8           HA       ARG   8 -11.160  12.585 -14.532
   57    HB2  ARG   8           HB2      ARG   8 -13.246  11.682 -14.642
   58    HB3  ARG   8           HB3      ARG   8 -12.297  10.351 -13.972
   59    HG2  ARG   8           HG2      ARG   8 -13.115  11.042 -11.670
   60    HG3  ARG   8           HG3      ARG   8 -14.215  12.136 -12.505
   61    HD2  ARG   8           HD2      ARG   8 -15.611  10.364 -12.603
   62    HD3  ARG   8           HD3      ARG   8 -14.645   9.835 -13.970
   63    HE   ARG   8           HE       ARG   8 -13.298   8.889 -11.732
   64   HH11  ARG   8          HH11      ARG   8 -16.762   8.625 -12.691
   65   HH12  ARG   8          HH12      ARG   8 -17.038   7.380 -11.506
   66   HH21  ARG   8          HH21      ARG   8 -13.830   7.466 -10.213
   67   HH22  ARG   8          HH22      ARG   8 -15.422   6.706 -10.149
   68    H    VAL   9           H        VAL   9 -12.989  14.223 -14.418
   69    HA   VAL   9           HA       VAL   9 -12.165  16.248 -12.657
   70    HB   VAL   9           HB       VAL   9 -14.179  17.494 -13.461
   71   HG11  VAL   9          HG11      VAL   9 -12.035  17.498 -14.701
   72   HG12  VAL   9          HG12      VAL   9 -12.587  16.110 -15.665
   73   HG13  VAL   9          HG13      VAL   9 -13.433  17.664 -15.771
   74   HG21  VAL   9          HG21      VAL   9 -14.802  14.974 -15.056
   75   HG22  VAL   9          HG22      VAL   9 -15.780  15.648 -13.727
   76   HG23  VAL   9          HG23      VAL   9 -15.585  16.556 -15.228
   77    HA   PRO  10           HA       PRO  10 -13.773  15.067  -8.891
   78    HB2  PRO  10           HB2      PRO  10 -14.808  17.335  -7.639
   79    HB3  PRO  10           HB3      PRO  10 -13.078  16.934  -7.815
   80    HG2  PRO  10           HG2      PRO  10 -14.769  18.768  -9.521
   81    HG3  PRO  10           HG3      PRO  10 -13.073  19.016  -8.934
   82    HD2  PRO  10           HD2      PRO  10 -13.652  18.205 -11.460
   83    HD3  PRO  10           HD3      PRO  10 -12.213  17.613 -10.596
   84    H    GLU  11           H        GLU  11 -16.263  17.045 -10.564
   85    HA   GLU  11           HA       GLU  11 -18.478  15.978  -9.106
   86    HB2  GLU  11           HB2      GLU  11 -18.165  17.324 -11.805
   87    HB3  GLU  11           HB3      GLU  11 -19.745  16.768 -11.199
   88    HG2  GLU  11           HG2      GLU  11 -19.442  18.187  -9.169
   89    HG3  GLU  11           HG3      GLU  11 -17.895  18.759  -9.798
   90    H    GLN  12           H        GLN  12 -16.556  14.548 -11.706
   91    HA   GLN  12           HA       GLN  12 -18.720  12.658 -12.437
   92    HB2  GLN  12           HB2      GLN  12 -15.886  13.113 -13.499
   93    HB3  GLN  12           HB3      GLN  12 -16.835  11.674 -13.873
   94    HG2  GLN  12           HG2      GLN  12 -18.639  13.036 -14.826
   95    HG3  GLN  12           HG3      GLN  12 -17.753  14.510 -14.451
   96   HE21  GLN  12          HE22      GLN  12 -18.187  14.717 -16.915
   97   HE22  GLN  12          HE21      GLN  12 -16.952  14.085 -17.970
   98    H    TYR  13           H        TYR  13 -15.697  12.955 -10.543
   99    HA   TYR  13           HA       TYR  13 -15.292  10.238 -10.026
  100    HB2  TYR  13           HB2      TYR  13 -13.498  11.323  -9.285
  101    HB3  TYR  13           HB3      TYR  13 -14.366  12.790  -8.919
  102    HD1  TYR  13           HD2      TYR  13 -13.646   9.352  -7.552
  103    HD2  TYR  13           HD1      TYR  13 -14.848  13.411  -6.690
  104    HE1  TYR  13           HE2      TYR  13 -13.400   8.918  -5.140
  105    HE2  TYR  13           HE1      TYR  13 -14.675  12.956  -4.269
  106    HH   TYR  13           HH       TYR  13 -14.137  11.384  -2.629
  107    H    GLN  14           H        GLN  14 -17.267  12.604  -8.218
  108    HA   GLN  14           HA       GLN  14 -17.959  10.940  -6.080
  109    HB2  GLN  14           HB2      GLN  14 -19.444  13.273  -7.367
  110    HB3  GLN  14           HB3      GLN  14 -19.955  12.505  -5.863
  111    HG2  GLN  14           HG2      GLN  14 -17.718  13.011  -4.857
  112    HG3  GLN  14           HG3      GLN  14 -17.279  13.887  -6.324
  113   HE21  GLN  14          HE22      GLN  14 -19.718  13.765  -3.691
  114   HE22  GLN  14          HE21      GLN  14 -20.065  15.494  -3.693
  115    H    GLN  15           H        GLN  15 -19.161  10.705  -9.358
  116    HA   GLN  15           HA       GLN  15 -21.813   9.851  -8.735
  117    HB2  GLN  15           HB2      GLN  15 -20.190   9.330 -11.261
  118    HB3  GLN  15           HB3      GLN  15 -21.940   9.222 -11.098
  119    HG2  GLN  15           HG2      GLN  15 -20.241  11.747 -10.911
  120    HG3  GLN  15           HG3      GLN  15 -21.337  11.326 -12.204
  121   HE21  GLN  15          HE22      GLN  15 -21.122  13.573 -10.048
  122   HE22  GLN  15          HE21      GLN  15 -22.765  13.700  -9.434
  123    H    GLU  16           H        GLU  16 -18.774   8.064  -9.185
  124    HA   GLU  16           HA       GLU  16 -19.282   6.085  -7.385
  125    HB2  GLU  16           HB2      GLU  16 -19.496   4.028  -8.765
  126    HB3  GLU  16           HB3      GLU  16 -20.955   4.989  -8.753
  127    HG2  GLU  16           HG2      GLU  16 -20.319   5.901 -11.032
  128    HG3  GLU  16           HG3      GLU  16 -18.904   4.849 -11.002
  129    H    HIS  17           H        HIS  17 -17.243   5.011  -7.034
  130    HA   HIS  17           HA       HIS  17 -15.223   5.050  -9.161
  131    HB2  HIS  17           HB2      HIS  17 -13.678   6.408  -8.093
  132    HB3  HIS  17           HB3      HIS  17 -15.160   7.280  -7.770
  133    HD1  HIS  17           HD1      HIS  17 -16.219   5.991  -5.142
  134    HD2  HIS  17           HD2      HIS  17 -12.131   6.472  -6.073
  135    HE1  HIS  17           HE1      HIS  17 -14.967   5.996  -2.920
  136    H    VAL  18           H        VAL  18 -13.302   3.739  -8.526
  137    HA   VAL  18           HA       VAL  18 -14.263   1.214  -7.666
  138    HB   VAL  18           HB       VAL  18 -11.422   2.222  -8.131
  139   HG11  VAL  18          HG11      VAL  18 -12.491  -0.616  -7.884
  140   HG12  VAL  18          HG12      VAL  18 -10.879  -0.193  -8.512
  141   HG13  VAL  18          HG13      VAL  18 -11.293   0.171  -6.837
  142   HG21  VAL  18          HG21      VAL  18 -11.645   1.181 -10.343
  143   HG22  VAL  18          HG22      VAL  18 -13.305   0.665  -9.971
  144   HG23  VAL  18          HG23      VAL  18 -12.908   2.387 -10.149
  145    H    GLN  19           H        GLN  19 -14.147   0.158  -5.743
  146    HA   GLN  19           HA       GLN  19 -14.062   1.669  -3.366
  147    HB2  GLN  19           HB2      GLN  19 -15.338  -0.410  -3.641
  148    HB3  GLN  19           HB3      GLN  19 -13.850  -1.334  -3.850
  149    HG2  GLN  19           HG2      GLN  19 -14.766  -1.698  -1.639
  150    HG3  GLN  19           HG3      GLN  19 -13.214  -0.896  -1.506
  151   HE21  GLN  19          HE22      GLN  19 -16.465  -0.814  -0.451
  152   HE22  GLN  19          HE21      GLN  19 -16.458   0.798   0.218
  153    H    GLY  20           H        GLY  20 -12.548   1.922  -1.754
  154    HA2  GLY  20           HA2      GLY  20 -10.575   1.801  -0.614
  155    HA3  GLY  20           HA3      GLY  20  -9.986   0.585  -1.752
  156    H    ALA  21           H        ALA  21 -10.809   2.976  -3.841
  157    HA   ALA  21           HA       ALA  21  -8.087   3.991  -4.092
  158    HB1  ALA  21           HB1      ALA  21  -9.528   3.422  -6.047
  159    HB2  ALA  21           HB2      ALA  21 -10.654   4.713  -5.560
  160    HB3  ALA  21           HB3      ALA  21  -9.008   5.118  -6.079
  161    H    ILE  22           H        ILE  22  -7.975   6.431  -4.636
  162    HA   ILE  22           HA       ILE  22  -9.620   8.164  -2.891
  163    HB   ILE  22           HB       ILE  22  -7.351   7.733  -1.874
  164   HG12  ILE  22          HG12      ILE  22  -7.823  10.629  -2.688
  165   HG13  ILE  22          HG13      ILE  22  -8.613   9.781  -1.348
  166   HG21  ILE  22          HG21      ILE  22  -6.096   7.594  -4.057
  167   HG22  ILE  22          HG22      ILE  22  -6.235   9.366  -4.185
  168   HG23  ILE  22          HG23      ILE  22  -5.333   8.612  -2.855
  169   HD11  ILE  22          HD11      ILE  22  -5.653  10.454  -1.638
  170   HD12  ILE  22          HD12      ILE  22  -6.808  11.133  -0.480
  171   HD13  ILE  22          HD13      ILE  22  -6.318   9.430  -0.339
  172    H    ASN  23           H        ASN  23  -9.190  10.580  -3.935
  173    HA   ASN  23           HA       ASN  23  -8.957  10.373  -6.895
  174    HB2  ASN  23           HB2      ASN  23 -11.280  10.109  -6.487
  175    HB3  ASN  23           HB3      ASN  23 -11.315  11.525  -5.422
  176   HD21  ASN  23          HD22      ASN  23 -11.191  13.603  -6.337
  177   HD22  ASN  23          HD21      ASN  23 -11.316  13.875  -8.073
  178    H    ILE  24           H        ILE  24  -7.852  11.970  -7.738
  179    HA   ILE  24           HA       ILE  24  -7.744  14.597  -6.431
  180    HB   ILE  24           HB       ILE  24  -5.195  13.232  -7.389
  181   HG12  ILE  24          HG12      ILE  24  -5.953  13.758  -4.482
  182   HG13  ILE  24          HG13      ILE  24  -5.953  12.167  -5.242
  183   HG21  ILE  24          HG21      ILE  24  -5.421  15.739  -7.597
  184   HG22  ILE  24          HG22      ILE  24  -5.650  15.831  -5.841
  185   HG23  ILE  24          HG23      ILE  24  -4.120  15.239  -6.522
  186   HD11  ILE  24          HD11      ILE  24  -3.506  13.900  -4.806
  187   HD12  ILE  24          HD12      ILE  24  -3.924  12.377  -4.011
  188   HD13  ILE  24          HD13      ILE  24  -3.525  12.389  -5.740
  189    HA   PRO  25           HA       PRO  25  -9.108  14.423 -10.786
  190    HB2  PRO  25           HB2      PRO  25  -9.202  17.418 -10.448
  191    HB3  PRO  25           HB3      PRO  25 -10.419  16.324 -11.165
  192    HG2  PRO  25           HG2      PRO  25 -10.743  17.328  -8.650
  193    HG3  PRO  25           HG3      PRO  25 -11.162  15.620  -9.014
  194    HD2  PRO  25           HD2      PRO  25  -8.669  16.714  -7.699
  195    HD3  PRO  25           HD3      PRO  25  -9.637  15.295  -7.248
  196    H    LEU  26           H        LEU  26  -8.088  14.867 -12.823
  197    HA   LEU  26           HA       LEU  26  -5.392  15.103 -13.022
  198    HB2  LEU  26           HB2      LEU  26  -6.659  14.397 -14.852
  199    HB3  LEU  26           HB3      LEU  26  -7.605  15.895 -14.918
  200    HG   LEU  26           HG       LEU  26  -5.472  17.090 -15.644
  201   HD11  LEU  26          HD11      LEU  26  -3.874  15.338 -14.807
  202   HD12  LEU  26          HD12      LEU  26  -4.476  14.233 -16.058
  203   HD13  LEU  26          HD13      LEU  26  -3.637  15.735 -16.510
  204   HD21  LEU  26          HD21      LEU  26  -7.291  16.380 -17.196
  205   HD22  LEU  26          HD22      LEU  26  -5.694  16.431 -17.933
  206   HD23  LEU  26          HD23      LEU  26  -6.411  14.870 -17.490
  207    H    LYS  27           H        LYS  27  -7.602  17.944 -13.164
  208    HA   LYS  27           HA       LYS  27  -5.517  19.851 -13.666
  209    HB2  LYS  27           HB2      LYS  27  -8.317  20.216 -12.505
  210    HB3  LYS  27           HB3      LYS  27  -7.254  21.526 -13.029
  211    HG2  LYS  27           HG2      LYS  27  -7.234  20.606 -15.342
  212    HG3  LYS  27           HG3      LYS  27  -8.305  19.299 -14.832
  213    HD2  LYS  27           HD2      LYS  27  -9.626  20.956 -15.944
  214    HD3  LYS  27           HD3      LYS  27 -10.053  20.967 -14.227
  215    HE2  LYS  27           HE2      LYS  27  -8.613  22.967 -13.883
  216    HE3  LYS  27           HE3      LYS  27  -8.134  22.923 -15.584
  217    HZ1  LYS  27           HZ1      LYS  27  -9.892  24.526 -15.198
  218    HZ2  LYS  27           HZ2      LYS  27 -10.448  23.350 -16.177
  219    HZ3  LYS  27           HZ3      LYS  27 -10.892  23.387 -14.603
  220    H    GLU  28           H        GLU  28  -6.157  18.119 -10.837
  221    HA   GLU  28           HA       GLU  28  -5.136  20.221  -9.002
  222    HB2  GLU  28           HB2      GLU  28  -6.963  17.831  -8.512
  223    HB3  GLU  28           HB3      GLU  28  -6.482  18.986  -7.305
  224    HG2  GLU  28           HG2      GLU  28  -8.257  19.519  -9.729
  225    HG3  GLU  28           HG3      GLU  28  -8.779  19.414  -8.064
  226    H    VAL  29           H        VAL  29  -4.438  17.139 -10.435
  227    HA   VAL  29           HA       VAL  29  -3.250  15.615  -8.502
  228    HB   VAL  29           HB       VAL  29  -2.608  15.995 -11.429
  229   HG11  VAL  29          HG11      VAL  29  -1.317  13.911  -9.619
  230   HG12  VAL  29          HG12      VAL  29  -1.282  13.896 -11.393
  231   HG13  VAL  29          HG13      VAL  29  -0.473  15.193 -10.523
  232   HG21  VAL  29          HG21      VAL  29  -3.812  13.655  -9.877
  233   HG22  VAL  29          HG22      VAL  29  -4.730  14.851 -10.788
  234   HG23  VAL  29          HG23      VAL  29  -3.635  13.770 -11.642
  235    H    LYS  30           H        LYS  30  -1.437  18.071 -10.421
  236    HA   LYS  30           HA       LYS  30   1.034  17.473  -9.305
  237    HB2  LYS  30           HB2      LYS  30   1.788  19.642 -10.153
  238    HB3  LYS  30           HB3      LYS  30   0.809  18.755 -11.326
  239    HG2  LYS  30           HG2      LYS  30  -1.152  20.208 -10.753
  240    HG3  LYS  30           HG3      LYS  30  -0.122  21.111  -9.624
  241    HD2  LYS  30           HD2      LYS  30   1.370  21.752 -11.496
  242    HD3  LYS  30           HD3      LYS  30   0.333  20.853 -12.627
  243    HE2  LYS  30           HE2      LYS  30  -1.591  22.305 -12.007
  244    HE3  LYS  30           HE3      LYS  30  -0.558  23.197 -10.883
  245    HZ1  LYS  30           HZ1      LYS  30  -0.171  23.077 -13.819
  246    HZ2  LYS  30           HZ2      LYS  30  -0.768  24.346 -12.992
  247    HZ3  LYS  30           HZ3      LYS  30   0.784  23.903 -12.779
  248    H    GLU  31           H        GLU  31  -1.444  19.521  -7.932
  249    HA   GLU  31           HA       GLU  31   0.251  20.866  -6.021
  250    HB2  GLU  31           HB2      GLU  31  -2.750  20.385  -6.129
  251    HB3  GLU  31           HB3      GLU  31  -1.973  21.477  -4.989
  252    HG2  GLU  31           HG2      GLU  31  -1.928  21.793  -8.026
  253    HG3  GLU  31           HG3      GLU  31  -2.991  22.648  -6.922
  254    H    ARG  32           H        ARG  32  -1.311  17.697  -6.033
  255    HA   ARG  32           HA       ARG  32  -0.972  17.486  -3.044
  256    HB2  ARG  32           HB2      ARG  32  -3.102  16.475  -4.942
  257    HB3  ARG  32           HB3      ARG  32  -2.812  15.673  -3.399
  258    HG2  ARG  32           HG2      ARG  32  -4.661  17.106  -3.132
  259    HG3  ARG  32           HG3      ARG  32  -3.323  17.797  -2.199
  260    HD2  ARG  32           HD2      ARG  32  -2.976  19.525  -3.813
  261    HD3  ARG  32           HD3      ARG  32  -3.938  18.662  -5.035
  262    HE   ARG  32           HE       ARG  32  -5.314  19.562  -2.579
  263   HH11  ARG  32          HH21      ARG  32  -4.655  20.133  -6.019
  264   HH12  ARG  32          HH22      ARG  32  -6.034  21.167  -6.262
  265   HH21  ARG  32          HH11      ARG  32  -7.114  21.001  -2.896
  266   HH22  ARG  32          HH12      ARG  32  -7.387  21.716  -4.442
  267    H    ILE  33           H        ILE  33  -0.401  15.822  -6.171
  268    HA   ILE  33           HA       ILE  33  -0.075  13.297  -5.077
  269    HB   ILE  33           HB       ILE  33  -0.364  13.761  -7.450
  270   HG12  ILE  33          HG12      ILE  33   1.210  12.059  -8.363
  271   HG13  ILE  33          HG13      ILE  33   2.107  12.077  -6.857
  272   HG21  ILE  33          HG21      ILE  33   2.583  14.478  -7.651
  273   HG22  ILE  33          HG22      ILE  33   1.354  14.504  -8.932
  274   HG23  ILE  33          HG23      ILE  33   1.280  15.686  -7.636
  275   HD11  ILE  33          HD11      ILE  33   0.518  10.178  -7.053
  276   HD12  ILE  33          HD12      ILE  33   0.131  11.204  -5.664
  277   HD13  ILE  33          HD13      ILE  33  -0.833  11.326  -7.158
  278    H    ALA  34           H        ALA  34   2.319  15.905  -5.220
  279    HA   ALA  34           HA       ALA  34   4.598  14.440  -4.431
  280    HB1  ALA  34           HB1      ALA  34   5.508  16.644  -3.820
  281    HB2  ALA  34           HB2      ALA  34   4.645  16.729  -5.364
  282    HB3  ALA  34           HB3      ALA  34   3.882  17.354  -3.880
  283    H    THR  35           H        THR  35   1.783  14.939  -2.554
  284    HA   THR  35           HA       THR  35   3.284  14.355  -0.038
  285    HB   THR  35           HB       THR  35   0.623  15.809  -0.287
  286    HG1  THR  35           HG1      THR  35   2.261  17.080  -1.159
  287   HG21  THR  35          HG21      THR  35   0.968  14.758   1.914
  288   HG22  THR  35          HG22      THR  35   2.575  15.505   2.044
  289   HG23  THR  35          HG23      THR  35   1.110  16.515   2.046
  290    H    ALA  36           H        ALA  36   0.398  13.641  -2.088
  291    HA   ALA  36           HA       ALA  36  -0.626  11.548  -0.437
  292    HB1  ALA  36           HB1      ALA  36  -0.825  11.901  -3.461
  293    HB2  ALA  36           HB2      ALA  36  -1.859  10.878  -2.450
  294    HB3  ALA  36           HB3      ALA  36  -1.910  12.642  -2.259
  295    H    VAL  37           H        VAL  37   1.891  11.601  -2.976
  296    HA   VAL  37           HA       VAL  37   2.783   8.896  -2.168
  297    HB   VAL  37           HB       VAL  37   2.555   9.817  -5.064
  298   HG11  VAL  37          HG11      VAL  37   3.291   7.107  -3.854
  299   HG12  VAL  37          HG12      VAL  37   3.257   7.525  -5.579
  300   HG13  VAL  37          HG13      VAL  37   4.461   8.257  -4.528
  301   HG21  VAL  37          HG21      VAL  37   0.861   8.017  -5.317
  302   HG22  VAL  37          HG22      VAL  37   0.874   7.767  -3.557
  303   HG23  VAL  37          HG23      VAL  37   0.295   9.295  -4.245
  304    HA   PRO  38           HA       PRO  38   5.743  12.416  -2.020
  305    HB2  PRO  38           HB2      PRO  38   6.842  12.047   0.449
  306    HB3  PRO  38           HB3      PRO  38   5.165  12.619   0.230
  307    HG2  PRO  38           HG2      PRO  38   6.093   9.766   0.718
  308    HG3  PRO  38           HG3      PRO  38   4.844  10.690   1.620
  309    HD2  PRO  38           HD2      PRO  38   4.216   8.991  -0.430
  310    HD3  PRO  38           HD3      PRO  38   3.298  10.496  -0.140
  311    H    ASP  39           H        ASP  39   6.286   9.570  -3.182
  312    HA   ASP  39           HA       ASP  39   9.228   9.744  -3.217
  313    HB2  ASP  39           HB2      ASP  39   8.872   8.159  -1.419
  314    HB3  ASP  39           HB3      ASP  39   7.677   7.271  -2.369
  315    H    LYS  40           H        LYS  40   9.571   9.977  -5.338
  316    HA   LYS  40           HA       LYS  40   7.696   9.349  -7.350
  317    HB2  LYS  40           HB2      LYS  40   9.438   9.923  -8.933
  318    HB3  LYS  40           HB3      LYS  40   9.372  11.083  -7.630
  319    HG2  LYS  40           HG2      LYS  40  11.514  10.731  -7.043
  320    HG3  LYS  40           HG3      LYS  40  11.328   8.984  -6.973
  321    HD2  LYS  40           HD2      LYS  40  11.743  10.572  -9.534
  322    HD3  LYS  40           HD3      LYS  40  13.034   9.756  -8.639
  323    HE2  LYS  40           HE2      LYS  40  12.147   7.577  -9.066
  324    HE3  LYS  40           HE3      LYS  40  10.581   8.224  -9.571
  325    HZ1  LYS  40           HZ1      LYS  40  13.075   8.515 -11.117
  326    HZ2  LYS  40           HZ2      LYS  40  11.779   7.545 -11.459
  327    HZ3  LYS  40           HZ3      LYS  40  11.595   9.163 -11.499
  328    H    ASN  41           H        ASN  41   9.910   7.190  -5.764
  329    HA   ASN  41           HA       ASN  41  10.128   5.313  -8.002
  330    HB2  ASN  41           HB2      ASN  41  11.912   5.544  -6.301
  331    HB3  ASN  41           HB3      ASN  41  10.781   5.049  -5.043
  332   HD21  ASN  41          HD22      ASN  41  10.770   2.873  -4.520
  333   HD22  ASN  41          HD21      ASN  41  11.392   1.612  -5.550
  334    H    ASP  42           H        ASP  42   7.701   6.002  -5.547
  335    HA   ASP  42           HA       ASP  42   6.908   3.237  -5.165
  336    HB2  ASP  42           HB2      ASP  42   6.643   5.007  -3.433
  337    HB3  ASP  42           HB3      ASP  42   5.418   5.782  -4.450
  338    H    THR  43           H        THR  43   4.909   2.255  -5.853
  339    HA   THR  43           HA       THR  43   4.345   2.824  -8.618
  340    HB   THR  43           HB       THR  43   2.664   0.942  -6.987
  341    HG1  THR  43           HG1      THR  43   4.294   0.092  -6.160
  342   HG21  THR  43          HG21      THR  43   2.970  -0.522  -8.952
  343   HG22  THR  43          HG22      THR  43   2.358   1.067  -9.435
  344   HG23  THR  43          HG23      THR  43   4.072   0.671  -9.680
  345    H    VAL  44           H        VAL  44   2.393   3.589  -9.542
  346    HA   VAL  44           HA       VAL  44   0.179   4.342  -7.718
  347    HB   VAL  44           HB       VAL  44   1.237   6.214  -9.882
  348   HG11  VAL  44          HG11      VAL  44  -0.240   7.868  -8.781
  349   HG12  VAL  44          HG12      VAL  44  -1.167   6.473  -9.327
  350   HG13  VAL  44          HG13      VAL  44  -0.759   6.637  -7.608
  351   HG21  VAL  44          HG21      VAL  44   1.719   6.372  -6.884
  352   HG22  VAL  44          HG22      VAL  44   2.952   6.234  -8.157
  353   HG23  VAL  44          HG23      VAL  44   2.002   7.710  -8.024
  354    H    LYS  45           H        LYS  45  -1.821   3.972  -8.674
  355    HA   LYS  45           HA       LYS  45  -1.861   3.248 -11.561
  356    HB2  LYS  45           HB2      LYS  45  -3.242   1.937  -9.193
  357    HB3  LYS  45           HB3      LYS  45  -3.902   1.827 -10.833
  358    HG2  LYS  45           HG2      LYS  45  -1.851   0.850 -11.690
  359    HG3  LYS  45           HG3      LYS  45  -1.037   1.056 -10.129
  360    HD2  LYS  45           HD2      LYS  45  -2.555  -0.538  -9.076
  361    HD3  LYS  45           HD3      LYS  45  -3.456  -0.737 -10.600
  362    HE2  LYS  45           HE2      LYS  45  -1.550  -1.692 -11.720
  363    HE3  LYS  45           HE3      LYS  45  -0.455  -1.217 -10.416
  364    HZ1  LYS  45           HZ1      LYS  45  -1.455  -2.799  -8.974
  365    HZ2  LYS  45           HZ2      LYS  45  -2.588  -3.241 -10.099
  366    HZ3  LYS  45           HZ3      LYS  45  -1.008  -3.572 -10.344
  367    H    VAL  46           H        VAL  46  -3.317   4.351 -12.743
  368    HA   VAL  46           HA       VAL  46  -5.186   6.173 -11.317
  369    HB   VAL  46           HB       VAL  46  -4.665   7.858 -13.111
  370   HG11  VAL  46          HG11      VAL  46  -3.766   8.062 -10.809
  371   HG12  VAL  46          HG12      VAL  46  -2.318   7.160 -11.298
  372   HG13  VAL  46          HG13      VAL  46  -2.671   8.742 -12.019
  373   HG21  VAL  46          HG21      VAL  46  -3.468   6.305 -14.713
  374   HG22  VAL  46          HG22      VAL  46  -2.574   7.782 -14.330
  375   HG23  VAL  46          HG23      VAL  46  -2.117   6.245 -13.576
  376    H    TYR  47           H        TYR  47  -7.149   6.569 -12.315
  377    HA   TYR  47           HA       TYR  47  -7.768   5.411 -14.906
  378    HB2  TYR  47           HB2      TYR  47  -9.533   3.992 -14.184
  379    HB3  TYR  47           HB3      TYR  47  -8.088   3.490 -13.327
  380    HD1  TYR  47           HD1      TYR  47  -7.813   4.098 -10.874
  381    HD2  TYR  47           HD2      TYR  47 -11.489   4.789 -13.032
  382    HE1  TYR  47           HE1      TYR  47  -9.012   4.392  -8.729
  383    HE2  TYR  47           HE2      TYR  47 -12.694   5.089 -10.891
  384    HH   TYR  47           HH       TYR  47 -11.043   4.849  -7.717
  385    H    CYS  48           H        CYS  48 -10.086   6.056 -15.460
  386    HA   CYS  48           HA       CYS  48 -11.450   8.053 -13.941
  387    HB2  CYS  48           HB2      CYS  48 -10.996   9.961 -15.527
  388    HB3  CYS  48           HB3      CYS  48  -9.565   9.481 -14.617
  389    HG   CYS  48           HG       CYS  48  -8.520   7.988 -16.441
  390    H    ASN  49           H        ASN  49 -12.963   9.273 -15.805
  391    HA   ASN  49           HA       ASN  49 -14.418   7.222 -17.236
  392    HB2  ASN  49           HB2      ASN  49 -15.578   9.248 -16.480
  393    HB3  ASN  49           HB3      ASN  49 -14.471  10.271 -17.409
  394   HD21  ASN  49          HD22      ASN  49 -16.814   7.524 -17.865
  395   HD22  ASN  49          HD21      ASN  49 -17.322   8.047 -19.447
  396    H    ALA  50           H        ALA  50 -13.893   6.378 -19.128
  397    HA   ALA  50           HA       ALA  50 -12.880   5.821 -21.003
  398    HB1  ALA  50           HB1      ALA  50 -14.436   7.612 -21.750
  399    HB2  ALA  50           HB2      ALA  50 -13.078   8.762 -21.687
  400    HB3  ALA  50           HB3      ALA  50 -13.039   7.400 -22.822
  401    H    GLY  51           H        GLY  51 -10.932   6.859 -18.790
  402    HA2  GLY  51           HA2      GLY  51  -8.675   6.574 -18.589
  403    HA3  GLY  51           HA3      GLY  51  -8.625   6.087 -20.276
  404    H    ARG  52           H        ARG  52  -9.914   9.097 -20.602
  405    HA   ARG  52           HA       ARG  52  -7.623  10.198 -21.795
  406    HB2  ARG  52           HB2      ARG  52  -9.758  11.942 -20.558
  407    HB3  ARG  52           HB3      ARG  52  -8.764  12.278 -21.961
  408    HG2  ARG  52           HG2      ARG  52 -10.035  10.662 -23.302
  409    HG3  ARG  52           HG3      ARG  52 -10.949  10.130 -21.882
  410    HD2  ARG  52           HD2      ARG  52 -11.025  12.932 -23.065
  411    HD3  ARG  52           HD3      ARG  52 -12.261  11.698 -23.281
  412    HE   ARG  52           HE       ARG  52 -11.606  13.197 -20.790
  413   HH11  ARG  52          HH11      ARG  52 -13.877  10.944 -22.377
  414   HH12  ARG  52          HH12      ARG  52 -14.872  10.801 -20.954
  415   HH21  ARG  52          HH21      ARG  52 -13.003  13.139 -19.076
  416   HH22  ARG  52          HH22      ARG  52 -14.481  12.209 -19.131
  417    H    GLN  53           H        GLN  53  -8.966  11.049 -18.640
  418    HA   GLN  53           HA       GLN  53  -6.946  12.947 -18.062
  419    HB2  GLN  53           HB2      GLN  53  -8.824  11.498 -16.135
  420    HB3  GLN  53           HB3      GLN  53  -7.812  12.844 -15.734
  421    HG2  GLN  53           HG2      GLN  53  -9.976  13.762 -16.028
  422    HG3  GLN  53           HG3      GLN  53  -9.019  14.264 -17.413
  423   HE21  GLN  53          HE22      GLN  53 -10.506  10.952 -17.127
  424   HE22  GLN  53          HE21      GLN  53 -11.641  11.180 -18.415
  425    H    SER  54           H        SER  54  -7.029   9.447 -17.627
  426    HA   SER  54           HA       SER  54  -4.768   9.328 -15.802
  427    HB2  SER  54           HB2      SER  54  -5.964   7.180 -17.602
  428    HB3  SER  54           HB3      SER  54  -4.918   6.938 -16.195
  429    HG   SER  54           HG       SER  54  -6.605   8.026 -14.958
  430    H    GLY  55           H        GLY  55  -5.255   8.784 -19.348
  431    HA2  GLY  55           HA2      GLY  55  -2.550   8.313 -20.051
  432    HA3  GLY  55           HA3      GLY  55  -3.793   9.055 -21.084
  433    H    GLN  56           H        GLN  56  -4.422  11.393 -19.700
  434    HA   GLN  56           HA       GLN  56  -2.296  13.042 -20.380
  435    HB2  GLN  56           HB2      GLN  56  -4.774  13.591 -20.277
  436    HB3  GLN  56           HB3      GLN  56  -4.623  13.704 -18.526
  437    HG2  GLN  56           HG2      GLN  56  -4.519  15.902 -19.754
  438    HG3  GLN  56           HG3      GLN  56  -3.139  15.596 -18.697
  439   HE21  GLN  56          HE22      GLN  56  -1.055  15.114 -19.655
  440   HE22  GLN  56          HE21      GLN  56  -0.729  15.356 -21.356
  441    H    ALA  57           H        ALA  57  -3.383  11.844 -17.163
  442    HA   ALA  57           HA       ALA  57  -1.592  13.380 -15.617
  443    HB1  ALA  57           HB1      ALA  57  -2.897  10.705 -14.972
  444    HB2  ALA  57           HB2      ALA  57  -2.113  11.789 -13.805
  445    HB3  ALA  57           HB3      ALA  57  -3.578  12.323 -14.651
  446    H    LYS  58           H        LYS  58  -1.134  10.179 -17.239
  447    HA   LYS  58           HA       LYS  58   1.360   9.580 -16.009
  448    HB2  LYS  58           HB2      LYS  58   0.351   8.977 -18.816
  449    HB3  LYS  58           HB3      LYS  58   1.911   8.421 -18.205
  450    HG2  LYS  58           HG2      LYS  58   0.748   7.293 -16.295
  451    HG3  LYS  58           HG3      LYS  58  -0.805   7.688 -17.032
  452    HD2  LYS  58           HD2      LYS  58   1.407   5.995 -18.275
  453    HD3  LYS  58           HD3      LYS  58  -0.072   5.375 -17.529
  454    HE2  LYS  58           HE2      LYS  58  -1.454   6.463 -19.243
  455    HE3  LYS  58           HE3      LYS  58  -0.026   7.220 -19.961
  456    HZ1  LYS  58           HZ1      LYS  58  -0.511   4.296 -19.877
  457    HZ2  LYS  58           HZ2      LYS  58  -0.673   5.252 -21.186
  458    HZ3  LYS  58           HZ3      LYS  58   0.798   5.021 -20.535
  459    H    GLU  59           H        GLU  59   0.643  11.902 -18.675
  460    HA   GLU  59           HA       GLU  59   3.415  12.306 -19.309
  461    HB2  GLU  59           HB2      GLU  59   1.096  14.247 -19.699
  462    HB3  GLU  59           HB3      GLU  59   2.704  14.362 -20.414
  463    HG2  GLU  59           HG2      GLU  59   2.256  12.060 -21.461
  464    HG3  GLU  59           HG3      GLU  59   0.567  12.288 -20.994
  465    H    ILE  60           H        ILE  60   1.132  14.290 -17.237
  466    HA   ILE  60           HA       ILE  60   3.189  16.102 -16.546
  467    HB   ILE  60           HB       ILE  60   1.672  17.061 -15.023
  468   HG12  ILE  60          HG12      ILE  60   0.219  14.425 -15.023
  469   HG13  ILE  60          HG13      ILE  60   0.932  15.275 -13.656
  470   HG21  ILE  60          HG21      ILE  60  -0.196  17.541 -16.441
  471   HG22  ILE  60          HG22      ILE  60   1.187  17.228 -17.489
  472   HG23  ILE  60          HG23      ILE  60  -0.065  15.982 -17.276
  473   HD11  ILE  60          HD11      ILE  60  -0.853  17.020 -13.897
  474   HD12  ILE  60          HD12      ILE  60  -1.592  15.996 -15.174
  475   HD13  ILE  60          HD13      ILE  60  -1.450  15.393 -13.511
  476    H    LEU  61           H        LEU  61   2.155  13.042 -15.012
  477    HA   LEU  61           HA       LEU  61   3.773  13.426 -12.659
  478    HB2  LEU  61           HB2      LEU  61   2.570  10.944 -13.950
  479    HB3  LEU  61           HB3      LEU  61   3.422  10.929 -12.408
  480    HG   LEU  61           HG       LEU  61   0.940  12.629 -12.913
  481   HD11  LEU  61          HD11      LEU  61   0.387  10.239 -13.052
  482   HD12  LEU  61          HD12      LEU  61   1.182   9.948 -11.485
  483   HD13  LEU  61          HD13      LEU  61  -0.275  10.962 -11.583
  484   HD21  LEU  61          HD21      LEU  61   2.455  11.941 -10.371
  485   HD22  LEU  61          HD22      LEU  61   2.295  13.548 -11.119
  486   HD23  LEU  61          HD23      LEU  61   0.873  12.755 -10.456
  487    H    SER  62           H        SER  62   4.425  11.983 -15.883
  488    HA   SER  62           HA       SER  62   7.030  10.996 -15.184
  489    HB2  SER  62           HB2      SER  62   5.979  11.943 -17.883
  490    HB3  SER  62           HB3      SER  62   7.439  10.982 -17.600
  491    HG   SER  62           HG       SER  62   4.728  10.275 -17.172
  492    H    GLU  63           H        GLU  63   5.839  14.200 -16.345
  493    HA   GLU  63           HA       GLU  63   8.457  15.369 -16.521
  494    HB2  GLU  63           HB2      GLU  63   5.686  16.584 -16.171
  495    HB3  GLU  63           HB3      GLU  63   7.143  17.550 -16.357
  496    HG2  GLU  63           HG2      GLU  63   6.163  15.510 -18.401
  497    HG3  GLU  63           HG3      GLU  63   5.853  17.237 -18.470
  498    H    MET  64           H        MET  64   6.091  15.141 -13.811
  499    HA   MET  64           HA       MET  64   7.668  16.667 -11.959
  500    HB2  MET  64           HB2      MET  64   5.550  14.522 -11.543
  501    HB3  MET  64           HB3      MET  64   6.340  15.384 -10.219
  502    HG2  MET  64           HG2      MET  64   5.567  17.547 -11.137
  503    HG3  MET  64           HG3      MET  64   4.776  16.710 -12.462
  504    HE1  MET  64           HE1      MET  64   3.367  16.907  -8.069
  505    HE2  MET  64           HE2      MET  64   4.904  16.115  -8.471
  506    HE3  MET  64           HE3      MET  64   4.677  17.848  -8.806
  507    H    GLY  65           H        GLY  65   7.760  13.237 -12.935
  508    HA2  GLY  65           HA2      GLY  65  10.149  12.531 -13.060
  509    HA3  GLY  65           HA3      GLY  65  10.275  12.900 -11.338
  510    H    TYR  66           H        TYR  66   7.192  11.555 -11.816
  511    HA   TYR  66           HA       TYR  66   7.954   9.111 -10.443
  512    HB2  TYR  66           HB2      TYR  66   5.347   9.934 -11.774
  513    HB3  TYR  66           HB3      TYR  66   5.583   8.485 -10.810
  514    HD1  TYR  66           HD2      TYR  66   5.463  12.217 -10.638
  515    HD2  TYR  66           HD1      TYR  66   5.526   8.519  -8.412
  516    HE1  TYR  66           HE2      TYR  66   4.976  13.465  -8.557
  517    HE2  TYR  66           HE1      TYR  66   5.046   9.761  -6.330
  518    HH   TYR  66           HH       TYR  66   4.687  11.839  -5.361
  519    H    THR  67           H        THR  67   8.257   7.092 -11.312
  520    HA   THR  67           HA       THR  67   8.090   6.781 -14.274
  521    HB   THR  67           HB       THR  67  10.246   5.357 -13.825
  522    HG1  THR  67           HG1      THR  67  10.432   5.387 -11.645
  523   HG21  THR  67          HG21      THR  67  10.321   8.395 -13.564
  524   HG22  THR  67          HG22      THR  67  11.659   7.340 -14.079
  525   HG23  THR  67          HG23      THR  67  10.210   7.485 -15.084
  526    H    HIS  68           H        HIS  68   6.402   5.818 -11.774
  527    HA   HIS  68           HA       HIS  68   6.145   2.992 -12.646
  528    HB2  HIS  68           HB2      HIS  68   6.248   3.916  -9.748
  529    HB3  HIS  68           HB3      HIS  68   6.114   2.253 -10.325
  530    HD1  HIS  68           HD1      HIS  68   8.456   1.174 -11.341
  531    HD2  HIS  68           HD2      HIS  68   8.632   5.111  -9.875
  532    HE1  HIS  68           HE1      HIS  68  10.922   1.800 -11.263
  533    H    VAL  69           H        VAL  69   4.601   5.225 -13.417
  534    HA   VAL  69           HA       VAL  69   2.034   4.969 -11.963
  535    HB   VAL  69           HB       VAL  69   2.708   6.730 -14.356
  536   HG11  VAL  69          HG11      VAL  69   0.287   6.317 -14.006
  537   HG12  VAL  69          HG12      VAL  69   0.432   6.860 -12.320
  538   HG13  VAL  69          HG13      VAL  69   0.705   7.991 -13.663
  539   HG21  VAL  69          HG21      VAL  69   2.783   7.458 -11.393
  540   HG22  VAL  69          HG22      VAL  69   4.153   7.465 -12.528
  541   HG23  VAL  69          HG23      VAL  69   2.841   8.614 -12.741
  542    H    GLU  70           H        GLU  70   0.322   3.816 -12.950
  543    HA   GLU  70           HA       GLU  70   0.644   2.893 -15.764
  544    HB2  GLU  70           HB2      GLU  70  -0.205   1.206 -13.363
  545    HB3  GLU  70           HB3      GLU  70  -0.414   0.733 -15.052
  546    HG2  GLU  70           HG2      GLU  70   2.062   0.877 -15.370
  547    HG3  GLU  70           HG3      GLU  70   2.244   1.218 -13.644
  548    H    ASN  71           H        ASN  71  -1.331   2.913 -16.901
  549    HA   ASN  71           HA       ASN  71  -3.636   4.124 -15.489
  550    HB2  ASN  71           HB2      ASN  71  -3.329   5.099 -17.648
  551    HB3  ASN  71           HB3      ASN  71  -3.151   3.510 -18.417
  552   HD21  ASN  71          HD22      ASN  71  -5.671   4.709 -16.001
  553   HD22  ASN  71          HD21      ASN  71  -7.001   4.335 -17.065
  554    H    ALA  72           H        ALA  72  -4.850   2.690 -14.366
  555    HA   ALA  72           HA       ALA  72  -4.648  -0.152 -14.743
  556    HB1  ALA  72           HB1      ALA  72  -6.695   1.518 -13.212
  557    HB2  ALA  72           HB2      ALA  72  -6.490  -0.241 -13.086
  558    HB3  ALA  72           HB3      ALA  72  -5.184   0.836 -12.565
  559    H    GLY  73           H        GLY  73  -6.855   2.326 -16.035
  560    HA2  GLY  73           HA2      GLY  73  -7.794   1.273 -18.286
  561    HA3  GLY  73           HA3      GLY  73  -8.751   0.353 -17.106
  562    H    GLY  74           H        GLY  74 -10.725   1.316 -17.596
  563    HA2  GLY  74           HA2      GLY  74 -11.057   4.104 -16.636
  564    HA3  GLY  74           HA3      GLY  74 -11.877   3.559 -18.108
  565    H    LEU  75           H        LEU  75 -13.359   4.468 -16.054
  566    HA   LEU  75           HA       LEU  75 -13.974   3.143 -13.833
  567    HB2  LEU  75           HB2      LEU  75 -14.985   5.268 -14.574
  568    HB3  LEU  75           HB3      LEU  75 -15.981   4.416 -15.745
  569    HG   LEU  75           HG       LEU  75 -17.163   3.236 -13.834
  570   HD11  LEU  75          HD11      LEU  75 -16.854   4.168 -11.546
  571   HD12  LEU  75          HD12      LEU  75 -15.423   3.314 -12.115
  572   HD13  LEU  75          HD13      LEU  75 -15.452   5.088 -12.132
  573   HD21  LEU  75          HD21      LEU  75 -18.105   5.201 -14.890
  574   HD22  LEU  75          HD22      LEU  75 -18.428   5.245 -13.157
  575   HD23  LEU  75          HD23      LEU  75 -17.151   6.270 -13.853
  576    H    LYS  76           H        LYS  76 -15.590   2.259 -16.931
  577    HA   LYS  76           HA       LYS  76 -16.988   0.042 -15.556
  578    HB2  LYS  76           HB2      LYS  76 -17.132   1.010 -18.443
  579    HB3  LYS  76           HB3      LYS  76 -18.167  -0.211 -17.716
  580    HG2  LYS  76           HG2      LYS  76 -18.079   2.741 -16.952
  581    HG3  LYS  76           HG3      LYS  76 -19.320   1.922 -17.899
  582    HD2  LYS  76           HD2      LYS  76 -19.803   0.459 -15.887
  583    HD3  LYS  76           HD3      LYS  76 -18.698   1.489 -14.944
  584    HE2  LYS  76           HE2      LYS  76 -20.078   3.480 -15.524
  585    HE3  LYS  76           HE3      LYS  76 -21.164   2.449 -16.464
  586    HZ1  LYS  76           HZ1      LYS  76 -20.757   2.361 -13.523
  587    HZ2  LYS  76           HZ2      LYS  76 -22.101   2.817 -14.323
  588    HZ3  LYS  76           HZ3      LYS  76 -21.649   1.253 -14.361
  589    H    ASP  77           H        ASP  77 -14.164   0.488 -17.577
  590    HA   ASP  77           HA       ASP  77 -14.061  -2.222 -18.626
  591    HB2  ASP  77           HB2      ASP  77 -12.892  -0.410 -19.764
  592    HB3  ASP  77           HB3      ASP  77 -11.951  -0.053 -18.313
  593    H    ILE  78           H        ILE  78 -12.777  -0.481 -15.785
  594    HA   ILE  78           HA       ILE  78 -11.312  -2.731 -14.695
  595    HB   ILE  78           HB       ILE  78 -12.318  -0.104 -13.519
  596   HG12  ILE  78          HG12      ILE  78  -9.461  -0.965 -14.186
  597   HG13  ILE  78          HG13      ILE  78 -10.477  -0.093 -15.327
  598   HG21  ILE  78          HG21      ILE  78 -10.523  -2.234 -12.252
  599   HG22  ILE  78          HG22      ILE  78 -10.754  -0.604 -11.601
  600   HG23  ILE  78          HG23      ILE  78 -12.127  -1.689 -11.690
  601   HD11  ILE  78          HD11      ILE  78 -10.727   1.774 -13.710
  602   HD12  ILE  78          HD12      ILE  78  -9.571   0.962 -12.627
  603   HD13  ILE  78          HD13      ILE  78  -9.057   1.483 -14.234
  604    H    ALA  79           H        ALA  79 -12.353  -4.546 -14.102
  605    HA   ALA  79           HA       ALA  79 -15.187  -4.650 -13.679
  606    HB1  ALA  79           HB1      ALA  79 -13.034  -6.761 -13.203
  607    HB2  ALA  79           HB2      ALA  79 -14.779  -7.054 -13.342
  608    HB3  ALA  79           HB3      ALA  79 -13.874  -6.462 -14.745
  609    H    MET  80           H        MET  80 -12.733  -3.761 -11.494
  610    HA   MET  80           HA       MET  80 -13.509  -5.073  -9.102
  611    HB2  MET  80           HB2      MET  80 -12.227  -2.342  -9.541
  612    HB3  MET  80           HB3      MET  80 -12.368  -3.130  -7.975
  613    HG2  MET  80           HG2      MET  80 -10.975  -4.993  -8.710
  614    HG3  MET  80           HG3      MET  80 -10.914  -4.349 -10.349
  615    HE1  MET  80           HE1      MET  80  -8.696  -2.482  -6.721
  616    HE2  MET  80           HE2      MET  80 -10.463  -2.395  -6.843
  617    HE3  MET  80           HE3      MET  80  -9.662  -3.972  -6.648
  618    HA   PRO  81           HA       PRO  81 -17.321  -3.048  -8.075
  619    HB2  PRO  81           HB2      PRO  81 -17.320  -3.048  -5.324
  620    HB3  PRO  81           HB3      PRO  81 -17.527  -4.526  -6.311
  621    HG2  PRO  81           HG2      PRO  81 -14.976  -3.471  -5.052
  622    HG3  PRO  81           HG3      PRO  81 -15.640  -5.136  -4.978
  623    HD2  PRO  81           HD2      PRO  81 -13.720  -4.456  -6.764
  624    HD3  PRO  81           HD3      PRO  81 -15.039  -5.570  -7.226
  625    H    LYS  82           H        LYS  82 -18.244  -1.087  -7.054
  626    HA   LYS  82           HA       LYS  82 -16.311   1.036  -6.432
  627    HB2  LYS  82           HB2      LYS  82 -17.500   2.535  -8.111
  628    HB3  LYS  82           HB3      LYS  82 -16.336   1.398  -8.743
  629    HG2  LYS  82           HG2      LYS  82 -19.278   0.682  -8.721
  630    HG3  LYS  82           HG3      LYS  82 -18.676   1.848  -9.891
  631    HD2  LYS  82           HD2      LYS  82 -17.593  -0.984  -9.634
  632    HD3  LYS  82           HD3      LYS  82 -18.823  -0.468 -10.785
  633    HE2  LYS  82           HE2      LYS  82 -17.283   1.055 -11.886
  634    HE3  LYS  82           HE3      LYS  82 -16.042   0.780 -10.658
  635    HZ1  LYS  82           HZ1      LYS  82 -17.044  -1.315 -12.484
  636    HZ2  LYS  82           HZ2      LYS  82 -15.641  -0.503 -12.677
  637    HZ3  LYS  82           HZ3      LYS  82 -15.844  -1.489 -11.375
  638    H    VAL  83           H        VAL  83 -17.274   2.956  -5.624
  639    HA   VAL  83           HA       VAL  83 -19.988   2.747  -4.473
  640    HB   VAL  83           HB       VAL  83 -19.037   3.423  -2.257
  641   HG11  VAL  83          HG11      VAL  83 -18.007   0.703  -3.161
  642   HG12  VAL  83          HG12      VAL  83 -18.435   1.212  -1.517
  643   HG13  VAL  83          HG13      VAL  83 -19.697   1.067  -2.747
  644   HG21  VAL  83          HG21      VAL  83 -16.801   4.234  -2.982
  645   HG22  VAL  83          HG22      VAL  83 -16.687   3.011  -1.713
  646   HG23  VAL  83          HG23      VAL  83 -16.329   2.573  -3.393
  647    H    LYS  84           H        LYS  84 -20.638   4.919  -3.552
  648    HA   LYS  84           HA       LYS  84 -19.453   7.124  -5.182
  649    HB2  LYS  84           HB2      LYS  84 -21.686   7.761  -5.866
  650    HB3  LYS  84           HB3      LYS  84 -21.375   6.088  -6.329
  651    HG2  LYS  84           HG2      LYS  84 -22.721   5.301  -4.390
  652    HG3  LYS  84           HG3      LYS  84 -23.040   6.987  -3.936
  653    HD2  LYS  84           HD2      LYS  84 -24.147   7.369  -6.121
  654    HD3  LYS  84           HD3      LYS  84 -23.826   5.681  -6.578
  655    HE2  LYS  84           HE2      LYS  84 -25.163   4.904  -4.630
  656    HE3  LYS  84           HE3      LYS  84 -25.483   6.582  -4.175
  657    HZ1  LYS  84           HZ1      LYS  84 -26.367   5.305  -6.700
  658    HZ2  LYS  84           HZ2      LYS  84 -27.318   5.639  -5.421
  659    HZ3  LYS  84           HZ3      LYS  84 -26.663   6.858  -6.279
  660    H    GLY  85           H        GLY  85 -20.485   9.299  -4.537
  661    HA2  GLY  85           HA2      GLY  85 -21.517   9.664  -1.897
  662    HA3  GLY  85           HA3      GLY  85 -19.765   9.926  -1.898
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1   5.209   1.306  -2.522
    2    H2   ALA   1           H2       ALA   1   5.852  -0.061  -1.842
    3    H3   ALA   1           H3       ALA   1   5.724   0.080  -3.479
    4    HA   ALA   1           HA       ALA   1   4.023  -1.358  -2.704
    5    HB1  ALA   1           HB1      ALA   1   2.308  -0.565  -1.149
    6    HB2  ALA   1           HB2      ALA   1   3.898  -0.418  -0.399
    7    HB3  ALA   1           HB3      ALA   1   3.090   1.029  -1.040
    8    H    GLU   2           H        GLU   2   1.368   0.246  -2.728
    9    HA   GLU   2           HA       GLU   2   1.455   1.502  -5.367
   10    HB2  GLU   2           HB2      GLU   2   1.243  -0.924  -5.832
   11    HB3  GLU   2           HB3      GLU   2  -0.105  -1.041  -4.701
   12    HG2  GLU   2           HG2      GLU   2  -1.473   0.418  -6.174
   13    HG3  GLU   2           HG3      GLU   2  -0.119   0.555  -7.299
   14    H    HIS   3           H        HIS   3  -0.343   2.852  -5.680
   15    HA   HIS   3           HA       HIS   3  -2.565   2.787  -3.728
   16    HB2  HIS   3           HB2      HIS   3  -0.997   5.260  -4.586
   17    HB3  HIS   3           HB3      HIS   3  -2.609   5.329  -3.886
   18    HD1  HIS   3           HD1      HIS   3  -2.708   3.971  -1.300
   19    HD2  HIS   3           HD2      HIS   3   0.896   5.539  -2.811
   20    HE1  HIS   3           HE1      HIS   3  -1.155   4.234   0.694
   21    H    TRP   4           H        TRP   4  -4.503   3.740  -4.632
   22    HA   TRP   4           HA       TRP   4  -4.640   3.685  -7.609
   23    HB2  TRP   4           HB2      TRP   4  -6.553   2.571  -5.518
   24    HB3  TRP   4           HB3      TRP   4  -7.043   2.943  -7.158
   25    HD1  TRP   4           HD1      TRP   4  -4.260   0.779  -5.518
   26    HE1  TRP   4           HE1      TRP   4  -3.848  -1.285  -6.945
   27    HE3  TRP   4           HE3      TRP   4  -7.691   1.686  -9.221
   28    HZ2  TRP   4           HZ2      TRP   4  -5.003  -2.508  -9.317
   29    HZ3  TRP   4           HZ3      TRP   4  -7.999   0.051 -11.054
   30    HH2  TRP   4           HH2      TRP   4  -6.662  -2.040 -11.120
   31    H    ILE   5           H        ILE   5  -5.149   5.648  -8.344
   32    HA   ILE   5           HA       ILE   5  -6.630   7.557  -6.589
   33    HB   ILE   5           HB       ILE   5  -4.133   8.067  -8.261
   34   HG12  ILE   5          HG12      ILE   5  -4.453   8.286  -5.231
   35   HG13  ILE   5          HG13      ILE   5  -3.677   6.929  -6.054
   36   HG21  ILE   5          HG21      ILE   5  -4.264  10.390  -7.437
   37   HG22  ILE   5          HG22      ILE   5  -5.706   9.976  -8.340
   38   HG23  ILE   5          HG23      ILE   5  -5.769  10.010  -6.566
   39   HD11  ILE   5          HD11      ILE   5  -2.078   8.652  -7.062
   40   HD12  ILE   5          HD12      ILE   5  -2.735   9.783  -5.859
   41   HD13  ILE   5          HD13      ILE   5  -1.927   8.299  -5.328
   42    H    ASP   6           H        ASP   6  -8.552   7.833  -7.649
   43    HA   ASP   6           HA       ASP   6  -8.808   7.586 -10.548
   44    HB2  ASP   6           HB2      ASP   6 -10.733   7.191  -9.061
   45    HB3  ASP   6           HB3      ASP   6 -10.588   8.817  -8.416
   46    H    VAL   7           H        VAL   7  -8.763   9.400 -12.018
   47    HA   VAL   7           HA       VAL   7  -7.942  12.007 -10.818
   48    HB   VAL   7           HB       VAL   7  -6.360  12.313 -12.657
   49   HG11  VAL   7          HG11      VAL   7  -4.611  10.815 -11.918
   50   HG12  VAL   7          HG12      VAL   7  -5.563  11.303 -10.511
   51   HG13  VAL   7          HG13      VAL   7  -5.788   9.693 -11.211
   52   HG21  VAL   7          HG21      VAL   7  -5.708  10.519 -14.111
   53   HG22  VAL   7          HG22      VAL   7  -6.871   9.391 -13.393
   54   HG23  VAL   7          HG23      VAL   7  -7.442  10.787 -14.331
   55    H    ARG   8           H        ARG   8 -10.605  10.911 -11.956
   56    HA   ARG   8           HA       ARG   8 -11.118  12.736 -14.216
   57    HB2  ARG   8           HB2      ARG   8 -13.063  11.695 -14.473
   58    HB3  ARG   8           HB3      ARG   8 -12.224  10.413 -13.600
   59    HG2  ARG   8           HG2      ARG   8 -13.325  11.296 -11.469
   60    HG3  ARG   8           HG3      ARG   8 -14.256  12.347 -12.520
   61    HD2  ARG   8           HD2      ARG   8 -15.688  10.536 -12.467
   62    HD3  ARG   8           HD3      ARG   8 -14.747  10.089 -13.869
   63    HE   ARG   8           HE       ARG   8 -13.272   8.869 -12.032
   64   HH11  ARG   8          HH11      ARG   8 -16.837   9.245 -11.604
   65   HH12  ARG   8          HH12      ARG   8 -16.910   7.750 -10.722
   66   HH21  ARG   8          HH21      ARG   8 -13.477   7.107 -10.858
   67   HH22  ARG   8          HH22      ARG   8 -15.068   6.574 -10.236
   68    H    VAL   9           H        VAL   9 -12.859  14.400 -13.998
   69    HA   VAL   9           HA       VAL   9 -12.004  16.308 -12.152
   70    HB   VAL   9           HB       VAL   9 -13.957  17.652 -12.871
   71   HG11  VAL   9          HG11      VAL   9 -12.485  16.286 -15.165
   72   HG12  VAL   9          HG12      VAL   9 -13.251  17.884 -15.184
   73   HG13  VAL   9          HG13      VAL   9 -11.840  17.599 -14.156
   74   HG21  VAL   9          HG21      VAL   9 -15.435  16.854 -14.653
   75   HG22  VAL   9          HG22      VAL   9 -14.749  15.223 -14.534
   76   HG23  VAL   9          HG23      VAL   9 -15.661  15.925 -13.171
   77    HA   PRO  10           HA       PRO  10 -13.540  14.992  -8.425
   78    HB2  PRO  10           HB2      PRO  10 -14.467  17.198  -7.010
   79    HB3  PRO  10           HB3      PRO  10 -12.754  16.782  -7.296
   80    HG2  PRO  10           HG2      PRO  10 -14.495  18.731  -8.816
   81    HG3  PRO  10           HG3      PRO  10 -12.773  18.926  -8.286
   82    HD2  PRO  10           HD2      PRO  10 -13.474  18.260 -10.828
   83    HD3  PRO  10           HD3      PRO  10 -11.997  17.626 -10.066
   84    H    GLU  11           H        GLU  11 -16.066  17.128  -9.867
   85    HA   GLU  11           HA       GLU  11 -18.228  15.963  -8.384
   86    HB2  GLU  11           HB2      GLU  11 -18.045  17.511 -10.986
   87    HB3  GLU  11           HB3      GLU  11 -19.592  16.911 -10.337
   88    HG2  GLU  11           HG2      GLU  11 -19.176  18.179  -8.229
   89    HG3  GLU  11           HG3      GLU  11 -17.658  18.790  -8.889
   90    H    GLN  12           H        GLN  12 -16.431  14.758 -11.160
   91    HA   GLN  12           HA       GLN  12 -18.622  12.917 -11.933
   92    HB2  GLN  12           HB2      GLN  12 -15.867  13.525 -13.122
   93    HB3  GLN  12           HB3      GLN  12 -16.789  12.111 -13.586
   94    HG2  GLN  12           HG2      GLN  12 -17.809  14.976 -13.802
   95    HG3  GLN  12           HG3      GLN  12 -17.113  14.043 -15.122
   96   HE21  GLN  12          HE22      GLN  12 -20.056  14.928 -13.711
   97   HE22  GLN  12          HE21      GLN  12 -21.052  13.655 -14.366
   98    H    TYR  13           H        TYR  13 -15.486  13.089 -10.202
   99    HA   TYR  13           HA       TYR  13 -15.162  10.332  -9.780
  100    HB2  TYR  13           HB2      TYR  13 -13.302  11.269  -9.036
  101    HB3  TYR  13           HB3      TYR  13 -14.060  12.801  -8.675
  102    HD1  TYR  13           HD1      TYR  13 -13.647   9.310  -7.312
  103    HD2  TYR  13           HD2      TYR  13 -14.398  13.469  -6.425
  104    HE1  TYR  13           HE1      TYR  13 -13.389   8.854  -4.902
  105    HE2  TYR  13           HE2      TYR  13 -14.210  12.998  -4.013
  106    HH   TYR  13           HH       TYR  13 -13.785  11.381  -2.384
  107    H    GLN  14           H        GLN  14 -16.938  12.760  -7.860
  108    HA   GLN  14           HA       GLN  14 -17.701  11.236  -5.715
  109    HB2  GLN  14           HB2      GLN  14 -19.029  13.514  -7.208
  110    HB3  GLN  14           HB3      GLN  14 -19.908  12.741  -5.906
  111    HG2  GLN  14           HG2      GLN  14 -17.165  14.040  -5.638
  112    HG3  GLN  14           HG3      GLN  14 -18.705  14.732  -5.118
  113   HE21  GLN  14          HE22      GLN  14 -20.005  12.652  -3.800
  114   HE22  GLN  14          HE21      GLN  14 -19.005  11.919  -2.562
  115    H    GLN  15           H        GLN  15 -18.957  10.883  -8.971
  116    HA   GLN  15           HA       GLN  15 -21.476   9.821  -8.211
  117    HB2  GLN  15           HB2      GLN  15 -20.000   9.466 -10.860
  118    HB3  GLN  15           HB3      GLN  15 -21.734   9.304 -10.592
  119    HG2  GLN  15           HG2      GLN  15 -20.087  11.875 -10.445
  120    HG3  GLN  15           HG3      GLN  15 -21.268  11.460 -11.659
  121   HE21  GLN  15          HE22      GLN  15 -20.924  13.626  -9.411
  122   HE22  GLN  15          HE21      GLN  15 -22.525  13.698  -8.690
  123    H    GLU  16           H        GLU  16 -18.364   8.295  -8.452
  124    HA   GLU  16           HA       GLU  16 -18.547   6.410  -6.761
  125    HB2  GLU  16           HB2      GLU  16 -19.058   4.211  -7.642
  126    HB3  GLU  16           HB3      GLU  16 -20.456   5.233  -7.580
  127    HG2  GLU  16           HG2      GLU  16 -20.113   5.630 -10.116
  128    HG3  GLU  16           HG3      GLU  16 -18.887   4.362 -10.026
  129    H    HIS  17           H        HIS  17 -16.731   4.988  -6.669
  130    HA   HIS  17           HA       HIS  17 -14.904   4.873  -8.943
  131    HB2  HIS  17           HB2      HIS  17 -13.163   6.137  -8.033
  132    HB3  HIS  17           HB3      HIS  17 -14.563   7.144  -7.743
  133    HD1  HIS  17           HD1      HIS  17 -15.565   5.831  -4.953
  134    HD2  HIS  17           HD2      HIS  17 -11.590   6.676  -6.081
  135    HE1  HIS  17           HE1      HIS  17 -14.233   6.068  -2.795
  136    H    VAL  18           H        VAL  18 -12.786   3.651  -8.068
  137    HA   VAL  18           HA       VAL  18 -13.790   1.114  -7.306
  138    HB   VAL  18           HB       VAL  18 -10.944   2.175  -7.471
  139   HG11  VAL  18          HG11      VAL  18 -10.288  -0.223  -7.717
  140   HG12  VAL  18          HG12      VAL  18 -10.866   0.181  -6.102
  141   HG13  VAL  18          HG13      VAL  18 -11.935  -0.688  -7.225
  142   HG21  VAL  18          HG21      VAL  18 -12.566   0.477  -9.431
  143   HG22  VAL  18          HG22      VAL  18 -12.241   2.208  -9.632
  144   HG23  VAL  18          HG23      VAL  18 -10.902   1.068  -9.652
  145    H    GLN  19           H        GLN  19 -13.828   0.013  -5.427
  146    HA   GLN  19           HA       GLN  19 -14.068   1.360  -2.969
  147    HB2  GLN  19           HB2      GLN  19 -15.084  -0.815  -3.575
  148    HB3  GLN  19           HB3      GLN  19 -13.492  -1.583  -3.530
  149    HG2  GLN  19           HG2      GLN  19 -13.306  -1.078  -1.114
  150    HG3  GLN  19           HG3      GLN  19 -14.849  -0.219  -1.156
  151   HE21  GLN  19          HE22      GLN  19 -16.845  -1.479  -1.432
  152   HE22  GLN  19          HE21      GLN  19 -16.851  -3.200  -1.156
  153    H    GLY  20           H        GLY  20 -12.591   2.143  -1.571
  154    HA2  GLY  20           HA2      GLY  20 -10.748   2.155  -0.206
  155    HA3  GLY  20           HA3      GLY  20 -10.072   0.773  -1.071
  156    H    ALA  21           H        ALA  21 -10.832   3.043  -3.456
  157    HA   ALA  21           HA       ALA  21  -8.050   3.937  -3.724
  158    HB1  ALA  21           HB1      ALA  21  -9.399   3.225  -5.673
  159    HB2  ALA  21           HB2      ALA  21 -10.552   4.539  -5.342
  160    HB3  ALA  21           HB3      ALA  21  -8.886   4.915  -5.824
  161    H    ILE  22           H        ILE  22  -8.138   6.409  -4.611
  162    HA   ILE  22           HA       ILE  22  -9.726   8.199  -2.891
  163    HB   ILE  22           HB       ILE  22  -7.463   7.871  -1.859
  164   HG12  ILE  22          HG12      ILE  22  -7.841  10.707  -2.889
  165   HG13  ILE  22          HG13      ILE  22  -8.703   9.990  -1.514
  166   HG21  ILE  22          HG21      ILE  22  -5.437   8.638  -2.896
  167   HG22  ILE  22          HG22      ILE  22  -6.222   7.567  -4.041
  168   HG23  ILE  22          HG23      ILE  22  -6.316   9.336  -4.265
  169   HD11  ILE  22          HD11      ILE  22  -6.864  11.335  -0.697
  170   HD12  ILE  22          HD12      ILE  22  -6.448   9.629  -0.418
  171   HD13  ILE  22          HD13      ILE  22  -5.710  10.526  -1.770
  172    H    ASN  23           H        ASN  23  -9.282  10.584  -4.053
  173    HA   ASN  23           HA       ASN  23  -8.912  10.213  -6.951
  174    HB2  ASN  23           HB2      ASN  23 -11.241  10.271  -6.928
  175    HB3  ASN  23           HB3      ASN  23 -11.302  11.433  -5.604
  176   HD21  ASN  23          HD22      ASN  23 -10.686  11.202  -9.202
  177   HD22  ASN  23          HD21      ASN  23 -10.947  12.894  -9.449
  178    H    ILE  24           H        ILE  24  -7.739  11.772  -7.850
  179    HA   ILE  24           HA       ILE  24  -7.383  14.385  -6.545
  180    HB   ILE  24           HB       ILE  24  -5.037  12.652  -7.421
  181   HG12  ILE  24          HG12      ILE  24  -5.800  13.851  -4.713
  182   HG13  ILE  24          HG13      ILE  24  -5.850  12.139  -5.137
  183   HG21  ILE  24          HG21      ILE  24  -3.658  14.652  -6.914
  184   HG22  ILE  24          HG22      ILE  24  -4.811  14.996  -8.189
  185   HG23  ILE  24          HG23      ILE  24  -5.143  15.574  -6.553
  186   HD11  ILE  24          HD11      ILE  24  -3.395  12.126  -5.442
  187   HD12  ILE  24          HD12      ILE  24  -3.338  13.820  -4.894
  188   HD13  ILE  24          HD13      ILE  24  -3.915  12.568  -3.799
  189    HA   PRO  25           HA       PRO  25  -8.927  14.384 -10.856
  190    HB2  PRO  25           HB2      PRO  25  -8.982  17.336 -10.199
  191    HB3  PRO  25           HB3      PRO  25 -10.203  16.346 -11.047
  192    HG2  PRO  25           HG2      PRO  25 -10.544  17.038  -8.435
  193    HG3  PRO  25           HG3      PRO  25 -10.943  15.374  -8.987
  194    HD2  PRO  25           HD2      PRO  25  -8.461  16.358  -7.578
  195    HD3  PRO  25           HD3      PRO  25  -9.394  14.894  -7.268
  196    H    LEU  26           H        LEU  26  -7.934  15.007 -12.871
  197    HA   LEU  26           HA       LEU  26  -5.244  15.384 -13.084
  198    HB2  LEU  26           HB2      LEU  26  -6.667  14.806 -14.949
  199    HB3  LEU  26           HB3      LEU  26  -7.449  16.392 -14.913
  200    HG   LEU  26           HG       LEU  26  -5.264  17.452 -15.570
  201   HD11  LEU  26          HD11      LEU  26  -3.682  15.742 -14.752
  202   HD12  LEU  26          HD12      LEU  26  -4.373  14.552 -15.878
  203   HD13  LEU  26          HD13      LEU  26  -3.483  15.965 -16.493
  204   HD21  LEU  26          HD21      LEU  26  -7.002  16.869 -17.231
  205   HD22  LEU  26          HD22      LEU  26  -5.369  16.767 -17.893
  206   HD23  LEU  26          HD23      LEU  26  -6.244  15.280 -17.460
  207    H    LYS  27           H        LYS  27  -7.598  18.081 -12.775
  208    HA   LYS  27           HA       LYS  27  -5.739  20.222 -13.130
  209    HB2  LYS  27           HB2      LYS  27  -8.299  20.096 -11.462
  210    HB3  LYS  27           HB3      LYS  27  -7.434  21.573 -11.895
  211    HG2  LYS  27           HG2      LYS  27  -7.803  21.117 -14.302
  212    HG3  LYS  27           HG3      LYS  27  -8.708  19.647 -13.892
  213    HD2  LYS  27           HD2      LYS  27 -10.341  21.006 -12.609
  214    HD3  LYS  27           HD3      LYS  27  -9.482  22.483 -13.055
  215    HE2  LYS  27           HE2      LYS  27 -10.752  20.521 -15.026
  216    HE3  LYS  27           HE3      LYS  27 -11.530  21.988 -14.432
  217    HZ1  LYS  27           HZ1      LYS  27  -9.039  21.928 -16.034
  218    HZ2  LYS  27           HZ2      LYS  27 -10.512  22.373 -16.565
  219    HZ3  LYS  27           HZ3      LYS  27  -9.751  23.283 -15.452
  220    H    GLU  28           H        GLU  28  -6.473  18.194 -10.334
  221    HA   GLU  28           HA       GLU  28  -5.148  19.980  -8.410
  222    HB2  GLU  28           HB2      GLU  28  -6.610  17.318  -8.169
  223    HB3  GLU  28           HB3      GLU  28  -5.932  18.186  -6.810
  224    HG2  GLU  28           HG2      GLU  28  -8.117  19.318  -8.649
  225    HG3  GLU  28           HG3      GLU  28  -8.422  18.528  -7.120
  226    H    VAL  29           H        VAL  29  -4.489  16.993 -10.242
  227    HA   VAL  29           HA       VAL  29  -2.570  15.735  -8.746
  228    HB   VAL  29           HB       VAL  29  -2.729  16.180 -11.743
  229   HG11  VAL  29          HG11      VAL  29  -0.860  14.216 -10.369
  230   HG12  VAL  29          HG12      VAL  29  -1.171  14.324 -12.105
  231   HG13  VAL  29          HG13      VAL  29  -0.347  15.652 -11.286
  232   HG21  VAL  29          HG21      VAL  29  -4.501  14.775 -10.677
  233   HG22  VAL  29          HG22      VAL  29  -3.493  13.834 -11.768
  234   HG23  VAL  29          HG23      VAL  29  -3.261  13.716 -10.010
  235    H    LYS  30           H        LYS  30  -1.957  18.597 -10.811
  236    HA   LYS  30           HA       LYS  30   0.814  18.731 -10.513
  237    HB2  LYS  30           HB2      LYS  30  -1.208  20.991 -10.847
  238    HB3  LYS  30           HB3      LYS  30   0.536  21.154 -11.086
  239    HG2  LYS  30           HG2      LYS  30   0.478  19.465 -12.889
  240    HG3  LYS  30           HG3      LYS  30  -1.280  19.298 -12.688
  241    HD2  LYS  30           HD2      LYS  30  -1.578  21.692 -13.260
  242    HD3  LYS  30           HD3      LYS  30   0.180  21.856 -13.476
  243    HE2  LYS  30           HE2      LYS  30   0.116  20.130 -15.266
  244    HE3  LYS  30           HE3      LYS  30  -1.632  19.967 -15.051
  245    HZ1  LYS  30           HZ1      LYS  30  -1.863  22.286 -15.744
  246    HZ2  LYS  30           HZ2      LYS  30  -0.247  22.432 -15.945
  247    HZ3  LYS  30           HZ3      LYS  30  -1.102  21.427 -16.899
  248    H    GLU  31           H        GLU  31  -1.537  19.464  -8.020
  249    HA   GLU  31           HA       GLU  31   0.596  20.783  -6.388
  250    HB2  GLU  31           HB2      GLU  31  -2.369  21.459  -6.574
  251    HB3  GLU  31           HB3      GLU  31  -1.230  22.168  -5.424
  252    HG2  GLU  31           HG2      GLU  31   0.137  23.025  -7.348
  253    HG3  GLU  31           HG3      GLU  31  -1.110  22.447  -8.456
  254    H    ARG  32           H        ARG  32  -1.324  18.031  -6.618
  255    HA   ARG  32           HA       ARG  32  -1.472  17.731  -3.637
  256    HB2  ARG  32           HB2      ARG  32  -3.581  18.463  -4.825
  257    HB3  ARG  32           HB3      ARG  32  -3.581  16.917  -5.666
  258    HG2  ARG  32           HG2      ARG  32  -3.846  15.717  -3.523
  259    HG3  ARG  32           HG3      ARG  32  -3.704  17.244  -2.639
  260    HD2  ARG  32           HD2      ARG  32  -5.922  16.465  -4.587
  261    HD3  ARG  32           HD3      ARG  32  -6.059  16.493  -2.836
  262    HE   ARG  32           HE       ARG  32  -6.236  18.745  -4.682
  263   HH11  ARG  32          HH11      ARG  32  -5.564  17.947  -1.270
  264   HH12  ARG  32          HH12      ARG  32  -5.963  19.529  -0.713
  265   HH21  ARG  32          HH21      ARG  32  -6.765  20.697  -3.996
  266   HH22  ARG  32          HH22      ARG  32  -6.676  21.184  -2.313
  267    H    ILE  33           H        ILE  33  -0.600  16.146  -6.684
  268    HA   ILE  33           HA       ILE  33  -1.170  13.536  -5.842
  269    HB   ILE  33           HB       ILE  33  -0.780  14.217  -8.138
  270   HG12  ILE  33          HG12      ILE  33   0.473  12.230  -8.920
  271   HG13  ILE  33          HG13      ILE  33   1.051  11.936  -7.287
  272   HG21  ILE  33          HG21      ILE  33   2.221  14.062  -7.872
  273   HG22  ILE  33          HG22      ILE  33   1.219  14.839  -9.124
  274   HG23  ILE  33          HG23      ILE  33   1.401  15.600  -7.559
  275   HD11  ILE  33          HD11      ILE  33  -1.890  11.985  -8.116
  276   HD12  ILE  33          HD12      ILE  33  -0.889  10.525  -8.001
  277   HD13  ILE  33          HD13      ILE  33  -1.230  11.468  -6.542
  278    H    ALA  34           H        ALA  34   1.720  15.494  -5.151
  279    HA   ALA  34           HA       ALA  34   3.378  13.441  -4.179
  280    HB1  ALA  34           HB1      ALA  34   4.140  15.750  -4.614
  281    HB2  ALA  34           HB2      ALA  34   3.175  16.337  -3.235
  282    HB3  ALA  34           HB3      ALA  34   4.544  15.239  -2.965
  283    H    THR  35           H        THR  35   0.568  14.997  -2.590
  284    HA   THR  35           HA       THR  35   1.187  14.167   0.060
  285    HB   THR  35           HB       THR  35  -1.560  14.640  -1.167
  286    HG1  THR  35           HG1      THR  35  -1.198  16.804  -0.848
  287   HG21  THR  35          HG21      THR  35  -0.449  15.160   1.632
  288   HG22  THR  35          HG22      THR  35  -2.086  15.578   1.072
  289   HG23  THR  35          HG23      THR  35  -1.600  13.882   1.184
  290    H    ALA  36           H        ALA  36  -0.396  12.537  -2.699
  291    HA   ALA  36           HA       ALA  36  -1.146  10.202  -1.035
  292    HB1  ALA  36           HB1      ALA  36  -2.765  11.016  -2.659
  293    HB2  ALA  36           HB2      ALA  36  -1.562  10.872  -3.974
  294    HB3  ALA  36           HB3      ALA  36  -2.181   9.419  -3.148
  295    H    VAL  37           H        VAL  37   1.363  11.239  -3.256
  296    HA   VAL  37           HA       VAL  37   2.562   8.511  -3.239
  297    HB   VAL  37           HB       VAL  37   2.748  10.535  -5.499
  298   HG11  VAL  37          HG11      VAL  37   3.579   8.613  -6.770
  299   HG12  VAL  37          HG12      VAL  37   4.561   8.793  -5.316
  300   HG13  VAL  37          HG13      VAL  37   3.317   7.531  -5.387
  301   HG21  VAL  37          HG21      VAL  37   0.399   9.860  -5.393
  302   HG22  VAL  37          HG22      VAL  37   1.188   9.077  -6.753
  303   HG23  VAL  37          HG23      VAL  37   0.864   8.147  -5.272
  304    HA   PRO  38           HA       PRO  38   5.155  11.715  -1.130
  305    HB2  PRO  38           HB2      PRO  38   5.931  10.308   1.087
  306    HB3  PRO  38           HB3      PRO  38   4.317  11.063   0.922
  307    HG2  PRO  38           HG2      PRO  38   5.085   8.179   0.353
  308    HG3  PRO  38           HG3      PRO  38   3.727   8.783   1.362
  309    HD2  PRO  38           HD2      PRO  38   3.357   8.054  -1.228
  310    HD3  PRO  38           HD3      PRO  38   2.500   9.464  -0.533
  311    H    ASP  39           H        ASP  39   5.931   8.722  -2.604
  312    HA   ASP  39           HA       ASP  39   8.789   9.461  -2.780
  313    HB2  ASP  39           HB2      ASP  39   8.587   7.706  -1.022
  314    HB3  ASP  39           HB3      ASP  39   7.756   6.654  -2.168
  315    H    LYS  40           H        LYS  40   9.203   9.605  -4.930
  316    HA   LYS  40           HA       LYS  40   7.213   9.121  -6.865
  317    HB2  LYS  40           HB2      LYS  40   8.971   9.604  -8.533
  318    HB3  LYS  40           HB3      LYS  40   8.899  10.798  -7.255
  319    HG2  LYS  40           HG2      LYS  40  10.997  10.361  -6.504
  320    HG3  LYS  40           HG3      LYS  40  10.848   8.615  -6.674
  321    HD2  LYS  40           HD2      LYS  40  11.254  10.494  -9.029
  322    HD3  LYS  40           HD3      LYS  40  12.576   9.677  -8.174
  323    HE2  LYS  40           HE2      LYS  40  11.760   7.485  -8.761
  324    HE3  LYS  40           HE3      LYS  40  10.227   8.133  -9.350
  325    HZ1  LYS  40           HZ1      LYS  40  12.846   8.541 -10.648
  326    HZ2  LYS  40           HZ2      LYS  40  11.580   7.611 -11.168
  327    HZ3  LYS  40           HZ3      LYS  40  11.417   9.238 -11.119
  328    H    ASN  41           H        ASN  41   9.397   6.792  -5.489
  329    HA   ASN  41           HA       ASN  41   9.394   5.022  -7.806
  330    HB2  ASN  41           HB2      ASN  41  11.255   5.002  -6.231
  331    HB3  ASN  41           HB3      ASN  41  10.162   4.581  -4.906
  332   HD21  ASN  41          HD22      ASN  41  10.685   3.242  -8.298
  333   HD22  ASN  41          HD21      ASN  41  10.905   1.615  -7.720
  334    H    ASP  42           H        ASP  42   7.080   5.749  -5.281
  335    HA   ASP  42           HA       ASP  42   6.001   3.095  -4.976
  336    HB2  ASP  42           HB2      ASP  42   5.758   5.058  -3.373
  337    HB3  ASP  42           HB3      ASP  42   4.554   5.715  -4.491
  338    H    THR  43           H        THR  43   4.038   2.222  -5.895
  339    HA   THR  43           HA       THR  43   3.856   2.924  -8.715
  340    HB   THR  43           HB       THR  43   2.199   0.818  -7.301
  341    HG1  THR  43           HG1      THR  43   4.136   0.287  -6.597
  342   HG21  THR  43          HG21      THR  43   3.437   0.962 -10.084
  343   HG22  THR  43          HG22      THR  43   2.485  -0.395  -9.437
  344   HG23  THR  43          HG23      THR  43   1.719   1.179  -9.687
  345    H    VAL  44           H        VAL  44   2.091   3.855  -9.786
  346    HA   VAL  44           HA       VAL  44  -0.160   4.787  -8.059
  347    HB   VAL  44           HB       VAL  44   0.945   6.507 -10.276
  348   HG11  VAL  44          HG11      VAL  44  -1.268   6.978  -9.185
  349   HG12  VAL  44          HG12      VAL  44  -0.425   7.135  -7.633
  350   HG13  VAL  44          HG13      VAL  44  -0.086   8.276  -8.957
  351   HG21  VAL  44          HG21      VAL  44   2.030   6.484  -7.437
  352   HG22  VAL  44          HG22      VAL  44   2.943   6.184  -8.935
  353   HG23  VAL  44          HG23      VAL  44   2.276   7.784  -8.630
  354    H    LYS  45           H        LYS  45  -1.654   3.317  -8.712
  355    HA   LYS  45           HA       LYS  45  -2.174   2.808 -11.575
  356    HB2  LYS  45           HB2      LYS  45  -3.634   2.105  -8.988
  357    HB3  LYS  45           HB3      LYS  45  -4.236   1.670 -10.581
  358    HG2  LYS  45           HG2      LYS  45  -1.483   0.809  -9.570
  359    HG3  LYS  45           HG3      LYS  45  -2.947  -0.111  -9.271
  360    HD2  LYS  45           HD2      LYS  45  -3.344  -0.315 -11.717
  361    HD3  LYS  45           HD3      LYS  45  -1.796   0.514 -12.021
  362    HE2  LYS  45           HE2      LYS  45  -0.581  -1.238 -10.806
  363    HE3  LYS  45           HE3      LYS  45  -2.097  -2.001 -10.316
  364    HZ1  LYS  45           HZ1      LYS  45  -2.519  -2.498 -12.664
  365    HZ2  LYS  45           HZ2      LYS  45  -1.078  -1.831 -13.102
  366    HZ3  LYS  45           HZ3      LYS  45  -1.119  -3.163 -12.162
  367    H    VAL  46           H        VAL  46  -3.317   4.277 -12.773
  368    HA   VAL  46           HA       VAL  46  -5.120   6.156 -11.327
  369    HB   VAL  46           HB       VAL  46  -4.526   7.878 -13.006
  370   HG11  VAL  46          HG11      VAL  46  -2.459   8.574 -11.924
  371   HG12  VAL  46          HG12      VAL  46  -3.543   7.852 -10.724
  372   HG13  VAL  46          HG13      VAL  46  -2.159   6.923 -11.347
  373   HG21  VAL  46          HG21      VAL  46  -3.515   6.420 -14.768
  374   HG22  VAL  46          HG22      VAL  46  -2.457   7.748 -14.285
  375   HG23  VAL  46          HG23      VAL  46  -2.137   6.106 -13.695
  376    H    TYR  47           H        TYR  47  -7.075   6.694 -12.318
  377    HA   TYR  47           HA       TYR  47  -7.759   5.558 -14.898
  378    HB2  TYR  47           HB2      TYR  47  -9.554   4.160 -14.126
  379    HB3  TYR  47           HB3      TYR  47  -8.038   3.597 -13.453
  380    HD1  TYR  47           HD1      TYR  47  -7.487   4.119 -11.002
  381    HD2  TYR  47           HD2      TYR  47 -11.392   4.769 -12.729
  382    HE1  TYR  47           HE1      TYR  47  -8.460   4.267  -8.734
  383    HE2  TYR  47           HE2      TYR  47 -12.375   4.877 -10.462
  384    HH   TYR  47           HH       TYR  47 -10.381   4.627  -7.497
  385    H    CYS  48           H        CYS  48  -9.976   6.272 -15.526
  386    HA   CYS  48           HA       CYS  48 -11.415   8.145 -13.900
  387    HB2  CYS  48           HB2      CYS  48 -11.071  10.121 -15.413
  388    HB3  CYS  48           HB3      CYS  48  -9.575   9.652 -14.607
  389    HG   CYS  48           HG       CYS  48 -10.650   9.144 -17.696
  390    H    ASN  49           H        ASN  49 -13.100   9.257 -15.580
  391    HA   ASN  49           HA       ASN  49 -14.369   7.183 -17.164
  392    HB2  ASN  49           HB2      ASN  49 -15.649   9.089 -16.178
  393    HB3  ASN  49           HB3      ASN  49 -14.720  10.223 -17.176
  394   HD21  ASN  49          HD22      ASN  49 -16.892   7.321 -17.416
  395   HD22  ASN  49          HD21      ASN  49 -17.550   7.759 -18.967
  396    H    ALA  50           H        ALA  50 -13.996   6.727 -19.289
  397    HA   ALA  50           HA       ALA  50 -13.067   6.592 -21.293
  398    HB1  ALA  50           HB1      ALA  50 -13.221   8.572 -22.697
  399    HB2  ALA  50           HB2      ALA  50 -14.602   8.502 -21.592
  400    HB3  ALA  50           HB3      ALA  50 -13.259   9.624 -21.267
  401    H    GLY  51           H        GLY  51 -11.012   7.139 -18.976
  402    HA2  GLY  51           HA2      GLY  51  -8.771   6.779 -18.883
  403    HA3  GLY  51           HA3      GLY  51  -8.791   6.545 -20.623
  404    H    ARG  52           H        ARG  52  -9.770   9.473 -20.995
  405    HA   ARG  52           HA       ARG  52  -7.309  10.599 -21.649
  406    HB2  ARG  52           HB2      ARG  52  -9.995  11.905 -21.067
  407    HB3  ARG  52           HB3      ARG  52  -8.557  12.854 -21.434
  408    HG2  ARG  52           HG2      ARG  52  -8.286  11.449 -23.566
  409    HG3  ARG  52           HG3      ARG  52  -9.898  10.797 -23.235
  410    HD2  ARG  52           HD2      ARG  52 -10.020  12.659 -24.821
  411    HD3  ARG  52           HD3      ARG  52 -10.829  13.106 -23.306
  412    HE   ARG  52           HE       ARG  52  -8.225  13.991 -22.973
  413   HH11  ARG  52          HH12      ARG  52 -10.754  14.708 -25.370
  414   HH12  ARG  52          HH11      ARG  52 -10.192  16.313 -25.659
  415   HH21  ARG  52          HH21      ARG  52  -7.512  16.013 -23.314
  416   HH22  ARG  52          HH22      ARG  52  -8.259  17.098 -24.453
  417    H    GLN  53           H        GLN  53  -9.056  11.412 -18.638
  418    HA   GLN  53           HA       GLN  53  -7.022  13.234 -17.837
  419    HB2  GLN  53           HB2      GLN  53  -9.071  11.748 -16.152
  420    HB3  GLN  53           HB3      GLN  53  -7.929  12.902 -15.506
  421    HG2  GLN  53           HG2      GLN  53 -10.133  13.936 -15.850
  422    HG3  GLN  53           HG3      GLN  53  -8.868  14.721 -16.779
  423   HE21  GLN  53          HE22      GLN  53 -11.254  11.972 -17.266
  424   HE22  GLN  53          HE21      GLN  53 -11.685  12.467 -18.872
  425    H    SER  54           H        SER  54  -7.060   9.719 -17.745
  426    HA   SER  54           HA       SER  54  -4.921   9.488 -15.751
  427    HB2  SER  54           HB2      SER  54  -6.049   7.435 -17.689
  428    HB3  SER  54           HB3      SER  54  -4.951   7.134 -16.337
  429    HG   SER  54           HG       SER  54  -7.579   8.219 -16.163
  430    H    GLY  55           H        GLY  55  -5.161   9.236 -19.365
  431    HA2  GLY  55           HA2      GLY  55  -2.354   8.752 -19.751
  432    HA3  GLY  55           HA3      GLY  55  -3.485   9.433 -20.941
  433    H    GLN  56           H        GLN  56  -4.352  11.718 -19.694
  434    HA   GLN  56           HA       GLN  56  -2.265  13.583 -20.127
  435    HB2  GLN  56           HB2      GLN  56  -5.073  13.725 -19.008
  436    HB3  GLN  56           HB3      GLN  56  -4.016  15.156 -19.067
  437    HG2  GLN  56           HG2      GLN  56  -3.718  14.862 -21.500
  438    HG3  GLN  56           HG3      GLN  56  -4.723  13.412 -21.474
  439   HE21  GLN  56          HE22      GLN  56  -5.012  16.849 -20.285
  440   HE22  GLN  56          HE21      GLN  56  -6.630  17.068 -20.893
  441    H    ALA  57           H        ALA  57  -3.503  12.130 -17.041
  442    HA   ALA  57           HA       ALA  57  -1.778  13.725 -15.384
  443    HB1  ALA  57           HB1      ALA  57  -3.730  12.597 -14.438
  444    HB2  ALA  57           HB2      ALA  57  -3.050  11.005 -14.861
  445    HB3  ALA  57           HB3      ALA  57  -2.248  12.027 -13.651
  446    H    LYS  58           H        LYS  58  -1.397  10.468 -16.931
  447    HA   LYS  58           HA       LYS  58   1.068   9.872 -15.689
  448    HB2  LYS  58           HB2      LYS  58  -0.287   8.202 -16.838
  449    HB3  LYS  58           HB3      LYS  58   0.000   8.983 -18.402
  450    HG2  LYS  58           HG2      LYS  58   2.357   8.441 -18.333
  451    HG3  LYS  58           HG3      LYS  58   2.241   7.887 -16.651
  452    HD2  LYS  58           HD2      LYS  58   0.897   5.969 -17.297
  453    HD3  LYS  58           HD3      LYS  58   0.702   6.595 -18.937
  454    HE2  LYS  58           HE2      LYS  58   2.313   4.788 -18.955
  455    HE3  LYS  58           HE3      LYS  58   3.091   6.306 -19.401
  456    HZ1  LYS  58           HZ1      LYS  58   3.252   5.057 -16.707
  457    HZ2  LYS  58           HZ2      LYS  58   4.412   4.979 -17.856
  458    HZ3  LYS  58           HZ3      LYS  58   4.044   6.418 -17.191
  459    H    GLU  59           H        GLU  59   0.466  11.745 -18.743
  460    HA   GLU  59           HA       GLU  59   3.266  11.904 -19.263
  461    HB2  GLU  59           HB2      GLU  59   2.801  13.590 -20.907
  462    HB3  GLU  59           HB3      GLU  59   1.714  12.213 -21.051
  463    HG2  GLU  59           HG2      GLU  59  -0.087  13.489 -20.002
  464    HG3  GLU  59           HG3      GLU  59   0.973  14.886 -19.789
  465    H    ILE  60           H        ILE  60   1.137  14.318 -17.412
  466    HA   ILE  60           HA       ILE  60   3.386  16.041 -17.064
  467    HB   ILE  60           HB       ILE  60   2.088  17.165 -15.412
  468   HG12  ILE  60          HG12      ILE  60   0.155  14.848 -15.518
  469   HG13  ILE  60          HG13      ILE  60   1.111  15.362 -14.112
  470   HG21  ILE  60          HG21      ILE  60   0.287  17.913 -16.827
  471   HG22  ILE  60          HG22      ILE  60   1.635  17.455 -17.865
  472   HG23  ILE  60          HG23      ILE  60   0.241  16.367 -17.694
  473   HD11  ILE  60          HD11      ILE  60  -1.207  16.803 -15.409
  474   HD12  ILE  60          HD12      ILE  60  -1.151  16.041 -13.810
  475   HD13  ILE  60          HD13      ILE  60  -0.180  17.495 -14.114
  476    H    LEU  61           H        LEU  61   2.178  13.215 -15.210
  477    HA   LEU  61           HA       LEU  61   3.943  13.650 -13.003
  478    HB2  LEU  61           HB2      LEU  61   2.535  11.171 -14.066
  479    HB3  LEU  61           HB3      LEU  61   3.494  11.170 -12.586
  480    HG   LEU  61           HG       LEU  61   1.157  13.074 -12.982
  481   HD11  LEU  61          HD11      LEU  61  -0.173  11.562 -11.582
  482   HD12  LEU  61          HD12      LEU  61   0.320  10.755 -13.073
  483   HD13  LEU  61          HD13      LEU  61   1.156  10.383 -11.546
  484   HD21  LEU  61          HD21      LEU  61   2.586  12.161 -10.458
  485   HD22  LEU  61          HD22      LEU  61   2.806  13.742 -11.247
  486   HD23  LEU  61          HD23      LEU  61   1.238  13.308 -10.612
  487    H    SER  62           H        SER  62   4.354  11.909 -16.089
  488    HA   SER  62           HA       SER  62   6.921  10.812 -15.481
  489    HB2  SER  62           HB2      SER  62   5.785  11.669 -18.174
  490    HB3  SER  62           HB3      SER  62   7.157  10.583 -17.905
  491    HG   SER  62           HG       SER  62   4.430  10.180 -17.190
  492    H    GLU  63           H        GLU  63   5.901  14.022 -16.773
  493    HA   GLU  63           HA       GLU  63   8.575  14.978 -17.182
  494    HB2  GLU  63           HB2      GLU  63   6.441  15.882 -18.212
  495    HB3  GLU  63           HB3      GLU  63   6.031  16.571 -16.645
  496    HG2  GLU  63           HG2      GLU  63   6.973  18.307 -17.978
  497    HG3  GLU  63           HG3      GLU  63   8.140  17.929 -16.721
  498    H    MET  64           H        MET  64   6.278  15.189 -14.426
  499    HA   MET  64           HA       MET  64   7.891  16.812 -12.732
  500    HB2  MET  64           HB2      MET  64   5.683  14.807 -12.147
  501    HB3  MET  64           HB3      MET  64   6.427  15.808 -10.900
  502    HG2  MET  64           HG2      MET  64   5.638  17.835 -11.877
  503    HG3  MET  64           HG3      MET  64   5.221  17.047 -13.385
  504    HE1  MET  64           HE1      MET  64   4.359  16.339  -9.526
  505    HE2  MET  64           HE2      MET  64   4.049  18.061  -9.838
  506    HE3  MET  64           HE3      MET  64   2.694  16.960  -9.509
  507    H    GLY  65           H        GLY  65   7.925  13.305 -13.346
  508    HA2  GLY  65           HA2      GLY  65  10.271  12.506 -13.282
  509    HA3  GLY  65           HA3      GLY  65  10.370  13.088 -11.620
  510    H    TYR  66           H        TYR  66   7.265  11.736 -12.121
  511    HA   TYR  66           HA       TYR  66   7.935   9.406 -10.479
  512    HB2  TYR  66           HB2      TYR  66   5.352  10.171 -11.884
  513    HB3  TYR  66           HB3      TYR  66   5.553   8.863 -10.728
  514    HD1  TYR  66           HD1      TYR  66   5.524  12.583 -11.091
  515    HD2  TYR  66           HD2      TYR  66   5.537   9.254  -8.354
  516    HE1  TYR  66           HE1      TYR  66   5.049  14.130  -9.233
  517    HE2  TYR  66           HE2      TYR  66   5.085  10.814  -6.469
  518    HH   TYR  66           HH       TYR  66   4.731  14.350  -6.933
  519    H    THR  67           H        THR  67   8.019   7.272 -11.208
  520    HA   THR  67           HA       THR  67   8.091   6.868 -14.162
  521    HB   THR  67           HB       THR  67  10.136   5.386 -13.491
  522    HG1  THR  67           HG1      THR  67  10.160   5.426 -11.313
  523   HG21  THR  67          HG21      THR  67  11.640   7.304 -13.630
  524   HG22  THR  67          HG22      THR  67  10.284   7.529 -14.745
  525   HG23  THR  67          HG23      THR  67  10.317   8.417 -13.207
  526    H    HIS  68           H        HIS  68   6.190   5.998 -11.723
  527    HA   HIS  68           HA       HIS  68   5.839   3.212 -12.682
  528    HB2  HIS  68           HB2      HIS  68   5.819   4.023  -9.749
  529    HB3  HIS  68           HB3      HIS  68   5.678   2.390 -10.401
  530    HD1  HIS  68           HD1      HIS  68   8.054   1.239 -11.190
  531    HD2  HIS  68           HD2      HIS  68   8.234   5.189  -9.773
  532    HE1  HIS  68           HE1      HIS  68  10.524   1.787 -10.911
  533    H    VAL  69           H        VAL  69   4.444   5.570 -13.406
  534    HA   VAL  69           HA       VAL  69   1.794   5.360 -12.088
  535    HB   VAL  69           HB       VAL  69   2.712   7.192 -14.348
  536   HG11  VAL  69          HG11      VAL  69   0.266   6.891 -14.269
  537   HG12  VAL  69          HG12      VAL  69   0.254   7.302 -12.540
  538   HG13  VAL  69          HG13      VAL  69   0.704   8.518 -13.753
  539   HG21  VAL  69          HG21      VAL  69   2.546   7.803 -11.366
  540   HG22  VAL  69          HG22      VAL  69   4.017   7.769 -12.363
  541   HG23  VAL  69          HG23      VAL  69   2.792   8.993 -12.657
  542    H    GLU  70           H        GLU  70   0.129   4.224 -13.154
  543    HA   GLU  70           HA       GLU  70   0.539   3.408 -15.972
  544    HB2  GLU  70           HB2      GLU  70   1.554   1.629 -14.566
  545    HB3  GLU  70           HB3      GLU  70   0.034   1.457 -13.678
  546    HG2  GLU  70           HG2      GLU  70  -1.115   0.759 -15.754
  547    HG3  GLU  70           HG3      GLU  70   0.362   1.035 -16.685
  548    H    ASN  71           H        ASN  71  -1.394   3.511 -17.065
  549    HA   ASN  71           HA       ASN  71  -3.769   4.310 -15.591
  550    HB2  ASN  71           HB2      ASN  71  -3.506   5.329 -17.743
  551    HB3  ASN  71           HB3      ASN  71  -3.312   3.754 -18.533
  552   HD21  ASN  71          HD22      ASN  71  -5.788   4.928 -16.064
  553   HD22  ASN  71          HD21      ASN  71  -7.142   4.530 -17.090
  554    H    ALA  72           H        ALA  72  -4.903   2.827 -14.480
  555    HA   ALA  72           HA       ALA  72  -4.723  -0.014 -14.941
  556    HB1  ALA  72           HB1      ALA  72  -6.727   1.621 -13.316
  557    HB2  ALA  72           HB2      ALA  72  -6.490  -0.135 -13.223
  558    HB3  ALA  72           HB3      ALA  72  -5.189   0.962 -12.720
  559    H    GLY  73           H        GLY  73  -6.931   2.535 -16.075
  560    HA2  GLY  73           HA2      GLY  73  -7.966   1.670 -18.328
  561    HA3  GLY  73           HA3      GLY  73  -8.848   0.596 -17.216
  562    H    GLY  74           H        GLY  74 -10.889   1.455 -17.147
  563    HA2  GLY  74           HA2      GLY  74 -11.194   4.148 -16.018
  564    HA3  GLY  74           HA3      GLY  74 -12.017   3.821 -17.552
  565    H    LEU  75           H        LEU  75 -13.539   4.495 -15.495
  566    HA   LEU  75           HA       LEU  75 -14.156   2.795 -13.451
  567    HB2  LEU  75           HB2      LEU  75 -14.935   5.157 -13.821
  568    HB3  LEU  75           HB3      LEU  75 -16.115   4.565 -14.985
  569    HG   LEU  75           HG       LEU  75 -17.235   3.252 -13.128
  570   HD11  LEU  75          HD11      LEU  75 -15.102   4.619 -11.436
  571   HD12  LEU  75          HD12      LEU  75 -16.598   3.926 -10.772
  572   HD13  LEU  75          HD13      LEU  75 -15.419   2.879 -11.574
  573   HD21  LEU  75          HD21      LEU  75 -16.857   6.237 -12.726
  574   HD22  LEU  75          HD22      LEU  75 -18.047   5.448 -13.772
  575   HD23  LEU  75          HD23      LEU  75 -18.167   5.270 -12.018
  576    H    LYS  76           H        LYS  76 -15.593   2.665 -16.720
  577    HA   LYS  76           HA       LYS  76 -17.506   0.610 -15.969
  578    HB2  LYS  76           HB2      LYS  76 -18.220   0.707 -18.279
  579    HB3  LYS  76           HB3      LYS  76 -18.036   2.336 -17.637
  580    HG2  LYS  76           HG2      LYS  76 -15.843   2.553 -18.810
  581    HG3  LYS  76           HG3      LYS  76 -16.023   0.906 -19.443
  582    HD2  LYS  76           HD2      LYS  76 -18.103   1.585 -20.617
  583    HD3  LYS  76           HD3      LYS  76 -17.905   3.241 -20.001
  584    HE2  LYS  76           HE2      LYS  76 -15.717   3.411 -21.164
  585    HE3  LYS  76           HE3      LYS  76 -15.897   1.756 -21.760
  586    HZ1  LYS  76           HZ1      LYS  76 -17.689   4.013 -22.452
  587    HZ2  LYS  76           HZ2      LYS  76 -16.554   3.368 -23.426
  588    HZ3  LYS  76           HZ3      LYS  76 -17.850   2.481 -23.002
  589    H    ASP  77           H        ASP  77 -14.192   0.387 -16.637
  590    HA   ASP  77           HA       ASP  77 -14.458  -2.269 -18.000
  591    HB2  ASP  77           HB2      ASP  77 -13.448  -0.548 -19.392
  592    HB3  ASP  77           HB3      ASP  77 -12.284  -0.155 -18.124
  593    H    ILE  78           H        ILE  78 -12.857  -0.479 -15.358
  594    HA   ILE  78           HA       ILE  78 -11.193  -2.660 -14.467
  595    HB   ILE  78           HB       ILE  78 -12.282  -0.147 -13.133
  596   HG12  ILE  78          HG12      ILE  78  -9.422  -0.823 -13.975
  597   HG13  ILE  78          HG13      ILE  78 -10.552  -0.036 -15.067
  598   HG21  ILE  78          HG21      ILE  78 -10.575  -0.567 -11.331
  599   HG22  ILE  78          HG22      ILE  78 -11.873  -1.744 -11.337
  600   HG23  ILE  78          HG23      ILE  78 -10.280  -2.173 -12.015
  601   HD11  ILE  78          HD11      ILE  78  -9.595   1.117 -12.425
  602   HD12  ILE  78          HD12      ILE  78  -9.168   1.628 -14.065
  603   HD13  ILE  78          HD13      ILE  78 -10.830   1.842 -13.481
  604    H    ALA  79           H        ALA  79 -11.846  -4.506 -13.486
  605    HA   ALA  79           HA       ALA  79 -14.671  -4.994 -13.178
  606    HB1  ALA  79           HB1      ALA  79 -12.264  -6.774 -12.583
  607    HB2  ALA  79           HB2      ALA  79 -13.949  -7.307 -12.757
  608    HB3  ALA  79           HB3      ALA  79 -13.093  -6.634 -14.155
  609    H    MET  80           H        MET  80 -12.389  -3.768 -10.950
  610    HA   MET  80           HA       MET  80 -13.053  -5.181  -8.584
  611    HB2  MET  80           HB2      MET  80 -11.980  -2.358  -8.988
  612    HB3  MET  80           HB3      MET  80 -12.060  -3.179  -7.427
  613    HG2  MET  80           HG2      MET  80 -10.564  -4.950  -8.223
  614    HG3  MET  80           HG3      MET  80 -10.537  -4.240  -9.835
  615    HE1  MET  80           HE1      MET  80  -9.216  -4.040  -6.160
  616    HE2  MET  80           HE2      MET  80  -8.376  -2.474  -6.130
  617    HE3  MET  80           HE3      MET  80 -10.149  -2.525  -6.201
  618    HA   PRO  81           HA       PRO  81 -16.963  -3.357  -7.255
  619    HB2  PRO  81           HB2      PRO  81 -15.646  -3.037  -4.558
  620    HB3  PRO  81           HB3      PRO  81 -17.230  -3.772  -4.954
  621    HG2  PRO  81           HG2      PRO  81 -15.086  -5.331  -4.370
  622    HG3  PRO  81           HG3      PRO  81 -16.189  -5.777  -5.714
  623    HD2  PRO  81           HD2      PRO  81 -13.506  -4.382  -5.871
  624    HD3  PRO  81           HD3      PRO  81 -14.149  -5.729  -6.861
  625    H    LYS  82           H        LYS  82 -17.877  -1.324  -6.313
  626    HA   LYS  82           HA       LYS  82 -15.977   0.950  -6.265
  627    HB2  LYS  82           HB2      LYS  82 -18.596   0.866  -7.845
  628    HB3  LYS  82           HB3      LYS  82 -17.660   2.310  -7.509
  629    HG2  LYS  82           HG2      LYS  82 -16.855   1.929  -9.565
  630    HG3  LYS  82           HG3      LYS  82 -15.678   0.971  -8.661
  631    HD2  LYS  82           HD2      LYS  82 -17.067  -1.069  -9.143
  632    HD3  LYS  82           HD3      LYS  82 -18.168  -0.067 -10.102
  633    HE2  LYS  82           HE2      LYS  82 -16.445   0.456 -11.710
  634    HE3  LYS  82           HE3      LYS  82 -15.178  -0.181 -10.646
  635    HZ1  LYS  82           HZ1      LYS  82 -15.676  -1.749 -12.369
  636    HZ2  LYS  82           HZ2      LYS  82 -16.068  -2.363 -10.910
  637    HZ3  LYS  82           HZ3      LYS  82 -17.263  -1.836 -11.931
  638    H    VAL  83           H        VAL  83 -16.840   2.860  -5.259
  639    HA   VAL  83           HA       VAL  83 -19.239   2.601  -3.570
  640    HB   VAL  83           HB       VAL  83 -18.029   3.484  -1.615
  641   HG11  VAL  83          HG11      VAL  83 -16.931   1.460  -0.883
  642   HG12  VAL  83          HG12      VAL  83 -18.354   1.030  -1.843
  643   HG13  VAL  83          HG13      VAL  83 -16.729   0.897  -2.554
  644   HG21  VAL  83          HG21      VAL  83 -15.537   3.383  -1.496
  645   HG22  VAL  83          HG22      VAL  83 -15.479   3.090  -3.250
  646   HG23  VAL  83          HG23      VAL  83 -16.128   4.611  -2.614
  647    H    LYS  84           H        LYS  84 -20.063   4.729  -2.974
  648    HA   LYS  84           HA       LYS  84 -19.637   6.790  -4.967
  649    HB2  LYS  84           HB2      LYS  84 -21.038   6.963  -2.260
  650    HB3  LYS  84           HB3      LYS  84 -21.135   8.140  -3.564
  651    HG2  LYS  84           HG2      LYS  84 -22.321   5.343  -3.507
  652    HG3  LYS  84           HG3      LYS  84 -23.156   6.896  -3.626
  653    HD2  LYS  84           HD2      LYS  84 -21.972   7.231  -5.863
  654    HD3  LYS  84           HD3      LYS  84 -21.436   5.539  -5.719
  655    HE2  LYS  84           HE2      LYS  84 -23.805   4.797  -5.648
  656    HE3  LYS  84           HE3      LYS  84 -24.318   6.483  -5.816
  657    HZ1  LYS  84           HZ1      LYS  84 -22.986   6.472  -7.948
  658    HZ2  LYS  84           HZ2      LYS  84 -22.880   4.856  -7.851
  659    HZ3  LYS  84           HZ3      LYS  84 -24.355   5.555  -7.967
  660    H    GLY  85           H        GLY  85 -18.834   8.959  -4.562
  661    HA2  GLY  85           HA2      GLY  85 -16.269   8.968  -3.256
  662    HA3  GLY  85           HA3      GLY  85 -17.131  10.378  -3.873
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1   4.448   1.116  -2.166
    2    H2   ALA   1           H2       ALA   1   4.788  -0.078  -1.068
    3    H3   ALA   1           H3       ALA   1   4.647  -0.426  -2.674
    4    HA   ALA   1           HA       ALA   1   2.687  -1.137  -1.560
    5    HB1  ALA   1           HB1      ALA   1   2.359   1.802  -0.787
    6    HB2  ALA   1           HB2      ALA   1   1.242   0.470  -0.410
    7    HB3  ALA   1           HB3      ALA   1   2.847   0.500   0.322
    8    H    GLU   2           H        GLU   2   0.381   0.638  -2.192
    9    HA   GLU   2           HA       GLU   2   0.682   1.363  -5.019
   10    HB2  GLU   2           HB2      GLU   2  -1.263  -0.731  -3.927
   11    HB3  GLU   2           HB3      GLU   2  -1.542   0.138  -5.436
   12    HG2  GLU   2           HG2      GLU   2   0.419  -0.819  -6.463
   13    HG3  GLU   2           HG3      GLU   2   0.904  -1.597  -4.947
   14    H    HIS   3           H        HIS   3  -1.021   2.856  -5.598
   15    HA   HIS   3           HA       HIS   3  -3.118   3.468  -3.629
   16    HB2  HIS   3           HB2      HIS   3  -1.081   5.476  -4.668
   17    HB3  HIS   3           HB3      HIS   3  -2.728   5.962  -4.283
   18    HD1  HIS   3           HD1      HIS   3  -3.415   6.092  -1.702
   19    HD2  HIS   3           HD2      HIS   3   0.473   4.709  -2.523
   20    HE1  HIS   3           HE1      HIS   3  -2.187   6.055   0.525
   21    H    TRP   4           H        TRP   4  -4.973   3.441  -4.710
   22    HA   TRP   4           HA       TRP   4  -5.057   3.731  -7.663
   23    HB2  TRP   4           HB2      TRP   4  -7.160   2.955  -5.582
   24    HB3  TRP   4           HB3      TRP   4  -7.527   3.280  -7.258
   25    HD1  TRP   4           HD1      TRP   4  -5.310   0.843  -5.215
   26    HE1  TRP   4           HE1      TRP   4  -5.000  -1.331  -6.501
   27    HE3  TRP   4           HE3      TRP   4  -7.848   2.089  -9.487
   28    HZ2  TRP   4           HZ2      TRP   4  -5.839  -2.448  -9.056
   29    HZ3  TRP   4           HZ3      TRP   4  -8.050   0.457 -11.338
   30    HH2  TRP   4           HH2      TRP   4  -7.049  -1.808 -11.139
   31    H    ILE   5           H        ILE   5  -5.199   5.786  -8.353
   32    HA   ILE   5           HA       ILE   5  -6.474   7.835  -6.592
   33    HB   ILE   5           HB       ILE   5  -4.167   8.207  -8.540
   34   HG12  ILE   5          HG12      ILE   5  -4.139   8.195  -5.490
   35   HG13  ILE   5          HG13      ILE   5  -3.381   7.009  -6.555
   36   HG21  ILE   5          HG21      ILE   5  -4.115  10.521  -7.750
   37   HG22  ILE   5          HG22      ILE   5  -5.725  10.161  -8.342
   38   HG23  ILE   5          HG23      ILE   5  -5.428  10.197  -6.595
   39   HD11  ILE   5          HD11      ILE   5  -2.586   9.898  -6.131
   40   HD12  ILE   5          HD12      ILE   5  -1.656   8.433  -5.783
   41   HD13  ILE   5          HD13      ILE   5  -1.962   8.904  -7.470
   42    H    ASP   6           H        ASP   6  -8.452   8.116  -7.436
   43    HA   ASP   6           HA       ASP   6  -9.069   7.828 -10.277
   44    HB2  ASP   6           HB2      ASP   6 -10.674   7.772  -8.166
   45    HB3  ASP   6           HB3      ASP   6 -10.630   9.516  -8.291
   46    H    VAL   7           H        VAL   7  -8.787   9.499 -11.800
   47    HA   VAL   7           HA       VAL   7  -8.123  12.199 -10.710
   48    HB   VAL   7           HB       VAL   7  -6.574  12.600 -12.469
   49   HG11  VAL   7          HG11      VAL   7  -5.843   9.905 -11.231
   50   HG12  VAL   7          HG12      VAL   7  -4.738  11.153 -11.840
   51   HG13  VAL   7          HG13      VAL   7  -5.706  11.449 -10.394
   52   HG21  VAL   7          HG21      VAL   7  -5.874  11.040 -14.069
   53   HG22  VAL   7          HG22      VAL   7  -6.823   9.709 -13.366
   54   HG23  VAL   7          HG23      VAL   7  -7.639  11.048 -14.188
   55    H    ARG   8           H        ARG   8 -10.678  10.683 -11.864
   56    HA   ARG   8           HA       ARG   8 -11.558  12.528 -13.930
   57    HB2  ARG   8           HB2      ARG   8 -13.637  11.571 -13.758
   58    HB3  ARG   8           HB3      ARG   8 -12.558  10.243 -13.361
   59    HG2  ARG   8           HG2      ARG   8 -13.072  10.816 -10.868
   60    HG3  ARG   8           HG3      ARG   8 -14.380  11.785 -11.504
   61    HD2  ARG   8           HD2      ARG   8 -13.969   8.796 -11.985
   62    HD3  ARG   8           HD3      ARG   8 -15.160   9.522 -10.907
   63    HE   ARG   8           HE       ARG   8 -15.321  10.391 -13.708
   64   HH11  ARG   8          HH11      ARG   8 -16.719   8.231 -11.223
   65   HH12  ARG   8          HH12      ARG   8 -18.162   7.975 -12.131
   66   HH21  ARG   8          HH21      ARG   8 -17.287  10.149 -14.774
   67   HH22  ARG   8          HH22      ARG   8 -18.457   9.003 -14.222
   68    H    VAL   9           H        VAL   9 -13.290  14.148 -13.552
   69    HA   VAL   9           HA       VAL   9 -12.261  16.106 -11.871
   70    HB   VAL   9           HB       VAL   9 -14.320  17.404 -12.414
   71   HG11  VAL   9          HG11      VAL   9 -13.090  15.973 -14.808
   72   HG12  VAL   9          HG12      VAL   9 -13.889  17.555 -14.798
   73   HG13  VAL   9          HG13      VAL   9 -12.364  17.337 -13.931
   74   HG21  VAL   9          HG21      VAL   9 -15.998  15.611 -12.447
   75   HG22  VAL   9          HG22      VAL   9 -15.979  16.508 -13.967
   76   HG23  VAL   9          HG23      VAL   9 -15.232  14.902 -13.892
   77    HA   PRO  10           HA       PRO  10 -13.548  14.923  -7.955
   78    HB2  PRO  10           HB2      PRO  10 -14.196  17.189  -6.518
   79    HB3  PRO  10           HB3      PRO  10 -12.539  16.752  -7.025
   80    HG2  PRO  10           HG2      PRO  10 -14.461  18.675  -8.355
   81    HG3  PRO  10           HG3      PRO  10 -12.700  18.887  -8.042
   82    HD2  PRO  10           HD2      PRO  10 -13.721  18.131 -10.462
   83    HD3  PRO  10           HD3      PRO  10 -12.134  17.569  -9.894
   84    H    GLU  11           H        GLU  11 -15.998  16.998  -9.482
   85    HA   GLU  11           HA       GLU  11 -18.199  16.110  -7.833
   86    HB2  GLU  11           HB2      GLU  11 -18.010  17.496 -10.532
   87    HB3  GLU  11           HB3      GLU  11 -19.546  17.137  -9.715
   88    HG2  GLU  11           HG2      GLU  11 -18.792  18.463  -7.744
   89    HG3  GLU  11           HG3      GLU  11 -17.299  18.870  -8.591
   90    H    GLN  12           H        GLN  12 -16.398  14.402 -10.222
   91    HA   GLN  12           HA       GLN  12 -18.744  12.672 -10.883
   92    HB2  GLN  12           HB2      GLN  12 -16.043  13.073 -12.252
   93    HB3  GLN  12           HB3      GLN  12 -17.054  11.654 -12.442
   94    HG2  GLN  12           HG2      GLN  12 -18.932  12.991 -13.274
   95    HG3  GLN  12           HG3      GLN  12 -17.934  14.441 -13.166
   96   HE21  GLN  12          HE21      GLN  12 -18.104  14.746 -15.524
   97   HE22  GLN  12          HE22      GLN  12 -17.212  13.719 -16.617
   98    H    TYR  13           H        TYR  13 -15.486  12.757  -9.354
   99    HA   TYR  13           HA       TYR  13 -15.305   9.998  -8.759
  100    HB2  TYR  13           HB2      TYR  13 -13.353  10.963  -8.205
  101    HB3  TYR  13           HB3      TYR  13 -14.078  12.512  -7.845
  102    HD1  TYR  13           HD1      TYR  13 -13.303   9.152  -6.359
  103    HD2  TYR  13           HD2      TYR  13 -14.503  13.239  -5.633
  104    HE1  TYR  13           HE1      TYR  13 -12.786   8.877  -3.971
  105    HE2  TYR  13           HE2      TYR  13 -14.072  12.940  -3.219
  106    HH   TYR  13           HH       TYR  13 -13.300  11.495  -1.556
  107    H    GLN  14           H        GLN  14 -17.010  12.623  -7.032
  108    HA   GLN  14           HA       GLN  14 -17.941  11.050  -4.851
  109    HB2  GLN  14           HB2      GLN  14 -19.024  13.546  -6.220
  110    HB3  GLN  14           HB3      GLN  14 -19.740  12.870  -4.750
  111    HG2  GLN  14           HG2      GLN  14 -17.738  13.220  -3.471
  112    HG3  GLN  14           HG3      GLN  14 -16.785  13.590  -4.903
  113   HE21  GLN  14          HE22      GLN  14 -16.877  15.640  -5.850
  114   HE22  GLN  14          HE21      GLN  14 -17.682  17.002  -5.080
  115    H    GLN  15           H        GLN  15 -19.152  11.343  -8.200
  116    HA   GLN  15           HA       GLN  15 -21.717  10.111  -7.600
  117    HB2  GLN  15           HB2      GLN  15 -20.285  10.644 -10.239
  118    HB3  GLN  15           HB3      GLN  15 -21.892   9.934 -10.094
  119    HG2  GLN  15           HG2      GLN  15 -22.745  11.943  -8.974
  120    HG3  GLN  15           HG3      GLN  15 -21.145  12.672  -8.979
  121   HE21  GLN  15          HE22      GLN  15 -20.757  14.084 -10.622
  122   HE22  GLN  15          HE21      GLN  15 -21.593  14.105 -12.170
  123    H    GLU  16           H        GLU  16 -18.530   8.934  -8.904
  124    HA   GLU  16           HA       GLU  16 -19.028   6.371  -7.727
  125    HB2  GLU  16           HB2      GLU  16 -20.404   6.235  -9.838
  126    HB3  GLU  16           HB3      GLU  16 -18.938   6.441 -10.785
  127    HG2  GLU  16           HG2      GLU  16 -18.086   4.303 -10.014
  128    HG3  GLU  16           HG3      GLU  16 -19.347   4.177  -8.786
  129    H    HIS  17           H        HIS  17 -17.034   5.315  -7.404
  130    HA   HIS  17           HA       HIS  17 -14.785   5.790  -9.175
  131    HB2  HIS  17           HB2      HIS  17 -13.251   6.570  -7.429
  132    HB3  HIS  17           HB3      HIS  17 -14.538   7.722  -7.709
  133    HD1  HIS  17           HD1      HIS  17 -16.361   7.942  -5.681
  134    HD2  HIS  17           HD2      HIS  17 -12.775   5.877  -5.008
  135    HE1  HIS  17           HE1      HIS  17 -16.140   7.712  -3.145
  136    H    VAL  18           H        VAL  18 -12.901   4.339  -8.434
  137    HA   VAL  18           HA       VAL  18 -13.803   1.683  -7.874
  138    HB   VAL  18           HB       VAL  18 -11.067   3.010  -7.956
  139   HG11  VAL  18          HG11      VAL  18 -11.705   0.067  -7.535
  140   HG12  VAL  18          HG12      VAL  18 -10.113   0.691  -8.026
  141   HG13  VAL  18          HG13      VAL  18 -10.779   1.129  -6.453
  142   HG21  VAL  18          HG21      VAL  18 -12.280   2.767 -10.126
  143   HG22  VAL  18          HG22      VAL  18 -10.838   1.755 -10.062
  144   HG23  VAL  18          HG23      VAL  18 -12.445   1.026  -9.832
  145    H    GLN  19           H        GLN  19 -13.789   0.529  -5.975
  146    HA   GLN  19           HA       GLN  19 -14.569   1.992  -3.725
  147    HB2  GLN  19           HB2      GLN  19 -15.192  -0.364  -4.417
  148    HB3  GLN  19           HB3      GLN  19 -13.665  -0.915  -3.721
  149    HG2  GLN  19           HG2      GLN  19 -14.349  -0.134  -1.508
  150    HG3  GLN  19           HG3      GLN  19 -15.776   0.661  -2.178
  151   HE21  GLN  19          HE22      GLN  19 -17.384  -0.849  -3.408
  152   HE22  GLN  19          HE21      GLN  19 -17.639  -2.413  -2.669
  153    H    GLY  20           H        GLY  20 -13.393   3.169  -2.360
  154    HA2  GLY  20           HA2      GLY  20 -11.857   3.611  -0.718
  155    HA3  GLY  20           HA3      GLY  20 -11.020   2.096  -1.069
  156    H    ALA  21           H        ALA  21 -11.322   3.801  -4.026
  157    HA   ALA  21           HA       ALA  21  -8.517   4.533  -4.073
  158    HB1  ALA  21           HB1      ALA  21  -9.736   3.891  -6.124
  159    HB2  ALA  21           HB2      ALA  21 -10.809   5.298  -5.943
  160    HB3  ALA  21           HB3      ALA  21  -9.089   5.539  -6.259
  161    H    ILE  22           H        ILE  22  -7.618   6.602  -3.936
  162    HA   ILE  22           HA       ILE  22  -9.196   8.714  -2.576
  163    HB   ILE  22           HB       ILE  22  -6.894   8.213  -1.825
  164   HG12  ILE  22          HG12      ILE  22  -7.061  11.004  -3.027
  165   HG13  ILE  22          HG13      ILE  22  -7.864  10.488  -1.533
  166   HG21  ILE  22          HG21      ILE  22  -4.926   8.735  -3.147
  167   HG22  ILE  22          HG22      ILE  22  -5.910   7.600  -4.044
  168   HG23  ILE  22          HG23      ILE  22  -5.929   9.326  -4.483
  169   HD11  ILE  22          HD11      ILE  22  -5.834  11.658  -0.968
  170   HD12  ILE  22          HD12      ILE  22  -5.577   9.939  -0.599
  171   HD13  ILE  22          HD13      ILE  22  -4.868  10.662  -2.066
  172    H    ASN  23           H        ASN  23  -8.981  10.997  -3.770
  173    HA   ASN  23           HA       ASN  23  -8.882  10.635  -6.703
  174    HB2  ASN  23           HB2      ASN  23 -11.171  10.651  -6.359
  175    HB3  ASN  23           HB3      ASN  23 -11.105  11.933  -5.139
  176   HD21  ASN  23          HD22      ASN  23  -9.972  11.592  -8.624
  177   HD22  ASN  23          HD21      ASN  23 -10.855  13.014  -9.152
  178    H    ILE  24           H        ILE  24  -7.624  12.017  -7.644
  179    HA   ILE  24           HA       ILE  24  -7.198  14.710  -6.533
  180    HB   ILE  24           HB       ILE  24  -4.893  12.923  -7.417
  181   HG12  ILE  24          HG12      ILE  24  -5.565  14.052  -4.656
  182   HG13  ILE  24          HG13      ILE  24  -5.651  12.352  -5.123
  183   HG21  ILE  24          HG21      ILE  24  -4.733  15.303  -8.117
  184   HG22  ILE  24          HG22      ILE  24  -4.982  15.821  -6.443
  185   HG23  ILE  24          HG23      ILE  24  -3.517  14.915  -6.908
  186   HD11  ILE  24          HD11      ILE  24  -3.652  12.711  -3.857
  187   HD12  ILE  24          HD12      ILE  24  -3.204  12.327  -5.535
  188   HD13  ILE  24          HD13      ILE  24  -3.111  14.000  -4.929
  189    HA   PRO  25           HA       PRO  25  -8.873  14.390 -10.817
  190    HB2  PRO  25           HB2      PRO  25  -9.067  17.351 -10.300
  191    HB3  PRO  25           HB3      PRO  25 -10.249  16.253 -11.076
  192    HG2  PRO  25           HG2      PRO  25 -10.543  17.077  -8.473
  193    HG3  PRO  25           HG3      PRO  25 -10.944  15.395  -8.962
  194    HD2  PRO  25           HD2      PRO  25  -8.494  16.436  -7.560
  195    HD3  PRO  25           HD3      PRO  25  -9.392  14.927  -7.290
  196    H    LEU  26           H        LEU  26  -7.963  15.057 -12.883
  197    HA   LEU  26           HA       LEU  26  -5.265  15.274 -13.104
  198    HB2  LEU  26           HB2      LEU  26  -6.640  14.764 -14.986
  199    HB3  LEU  26           HB3      LEU  26  -7.405  16.361 -14.952
  200    HG   LEU  26           HG       LEU  26  -5.199  17.394 -15.589
  201   HD11  LEU  26          HD11      LEU  26  -3.424  15.906 -16.491
  202   HD12  LEU  26          HD12      LEU  26  -3.653  15.646 -14.760
  203   HD13  LEU  26          HD13      LEU  26  -4.333  14.488 -15.921
  204   HD21  LEU  26          HD21      LEU  26  -6.221  15.255 -17.485
  205   HD22  LEU  26          HD22      LEU  26  -6.928  16.866 -17.260
  206   HD23  LEU  26          HD23      LEU  26  -5.297  16.711 -17.920
  207    H    LYS  27           H        LYS  27  -7.411  18.171 -12.930
  208    HA   LYS  27           HA       LYS  27  -5.315  20.084 -13.328
  209    HB2  LYS  27           HB2      LYS  27  -7.916  20.404 -11.759
  210    HB3  LYS  27           HB3      LYS  27  -6.914  21.710 -12.380
  211    HG2  LYS  27           HG2      LYS  27  -8.489  19.705 -14.052
  212    HG3  LYS  27           HG3      LYS  27  -8.885  21.398 -13.764
  213    HD2  LYS  27           HD2      LYS  27  -6.755  22.063 -14.944
  214    HD3  LYS  27           HD3      LYS  27  -6.449  20.355 -15.277
  215    HE2  LYS  27           HE2      LYS  27  -7.401  21.276 -17.251
  216    HE3  LYS  27           HE3      LYS  27  -8.607  20.213 -16.524
  217    HZ1  LYS  27           HZ1      LYS  27  -8.582  23.174 -16.316
  218    HZ2  LYS  27           HZ2      LYS  27  -9.565  22.303 -17.274
  219    HZ3  LYS  27           HZ3      LYS  27  -9.720  22.199 -15.657
  220    H    GLU  28           H        GLU  28  -6.290  18.270 -10.493
  221    HA   GLU  28           HA       GLU  28  -4.962  20.069  -8.588
  222    HB2  GLU  28           HB2      GLU  28  -6.466  17.441  -8.223
  223    HB3  GLU  28           HB3      GLU  28  -5.914  18.491  -6.936
  224    HG2  GLU  28           HG2      GLU  28  -7.960  19.373  -9.048
  225    HG3  GLU  28           HG3      GLU  28  -8.397  18.630  -7.531
  226    H    VAL  29           H        VAL  29  -4.289  17.095 -10.382
  227    HA   VAL  29           HA       VAL  29  -2.519  15.727  -8.761
  228    HB   VAL  29           HB       VAL  29  -2.450  16.180 -11.761
  229   HG11  VAL  29          HG11      VAL  29  -0.180  15.419 -11.077
  230   HG12  VAL  29          HG12      VAL  29  -0.921  14.019 -10.262
  231   HG13  VAL  29          HG13      VAL  29  -1.047  14.201 -12.011
  232   HG21  VAL  29          HG21      VAL  29  -3.382  13.796 -10.085
  233   HG22  VAL  29          HG22      VAL  29  -4.438  14.967 -10.873
  234   HG23  VAL  29          HG23      VAL  29  -3.432  13.913 -11.858
  235    H    LYS  30           H        LYS  30  -1.687  18.540 -10.822
  236    HA   LYS  30           HA       LYS  30   1.076  18.518 -10.336
  237    HB2  LYS  30           HB2      LYS  30  -0.764  20.876 -10.944
  238    HB3  LYS  30           HB3      LYS  30   0.999  20.907 -11.062
  239    HG2  LYS  30           HG2      LYS  30   0.926  19.097 -12.768
  240    HG3  LYS  30           HG3      LYS  30  -0.849  19.122 -12.706
  241    HD2  LYS  30           HD2      LYS  30  -0.848  21.496 -13.418
  242    HD3  LYS  30           HD3      LYS  30   0.929  21.474 -13.486
  243    HE2  LYS  30           HE2      LYS  30   0.837  19.670 -15.196
  244    HE3  LYS  30           HE3      LYS  30  -0.932  19.698 -15.133
  245    HZ1  LYS  30           HZ1      LYS  30  -0.090  21.002 -16.985
  246    HZ2  LYS  30           HZ2      LYS  30  -0.855  21.989 -15.941
  247    HZ3  LYS  30           HZ3      LYS  30   0.778  21.962 -15.998
  248    H    GLU  31           H        GLU  31  -1.375  19.365  -8.024
  249    HA   GLU  31           HA       GLU  31   0.635  20.858  -6.388
  250    HB2  GLU  31           HB2      GLU  31  -2.375  21.257  -6.622
  251    HB3  GLU  31           HB3      GLU  31  -1.320  22.086  -5.470
  252    HG2  GLU  31           HG2      GLU  31   0.005  23.009  -7.395
  253    HG3  GLU  31           HG3      GLU  31  -1.169  22.302  -8.506
  254    H    ARG  32           H        ARG  32  -1.022  17.914  -6.542
  255    HA   ARG  32           HA       ARG  32  -0.912  17.632  -3.565
  256    HB2  ARG  32           HB2      ARG  32  -3.174  18.357  -4.481
  257    HB3  ARG  32           HB3      ARG  32  -3.292  16.776  -5.244
  258    HG2  ARG  32           HG2      ARG  32  -3.251  15.659  -3.056
  259    HG3  ARG  32           HG3      ARG  32  -2.894  17.190  -2.243
  260    HD2  ARG  32           HD2      ARG  32  -5.444  16.488  -3.746
  261    HD3  ARG  32           HD3      ARG  32  -5.260  16.544  -1.990
  262    HE   ARG  32           HE       ARG  32  -4.656  18.992  -2.302
  263   HH11  ARG  32          HH11      ARG  32  -7.107  17.402  -4.371
  264   HH12  ARG  32          HH12      ARG  32  -7.590  18.934  -5.085
  265   HH21  ARG  32          HH21      ARG  32  -5.464  20.965  -3.285
  266   HH22  ARG  32          HH22      ARG  32  -6.712  20.824  -4.508
  267    H    ILE  33           H        ILE  33  -0.252  16.122  -6.657
  268    HA   ILE  33           HA       ILE  33  -0.738  13.481  -5.879
  269    HB   ILE  33           HB       ILE  33  -0.375  14.199  -8.154
  270   HG12  ILE  33          HG12      ILE  33   1.003  12.284  -8.954
  271   HG13  ILE  33          HG13      ILE  33   1.559  11.995  -7.318
  272   HG21  ILE  33          HG21      ILE  33   1.688  15.710  -7.631
  273   HG22  ILE  33          HG22      ILE  33   2.632  14.224  -7.831
  274   HG23  ILE  33          HG23      ILE  33   1.626  14.857  -9.158
  275   HD11  ILE  33          HD11      ILE  33  -0.736  11.428  -6.634
  276   HD12  ILE  33          HD12      ILE  33  -1.355  11.904  -8.236
  277   HD13  ILE  33          HD13      ILE  33  -0.284  10.498  -8.071
  278    H    ALA  34           H        ALA  34   2.114  15.491  -5.152
  279    HA   ALA  34           HA       ALA  34   3.788  13.448  -4.169
  280    HB1  ALA  34           HB1      ALA  34   3.546  16.342  -3.232
  281    HB2  ALA  34           HB2      ALA  34   4.920  15.257  -2.939
  282    HB3  ALA  34           HB3      ALA  34   4.537  15.760  -4.595
  283    H    THR  35           H        THR  35   0.903  14.916  -2.640
  284    HA   THR  35           HA       THR  35   1.519  14.052   0.029
  285    HB   THR  35           HB       THR  35  -1.216  14.563  -1.205
  286    HG1  THR  35           HG1      THR  35   0.718  16.426  -0.279
  287   HG21  THR  35          HG21      THR  35  -1.292  13.738   1.103
  288   HG22  THR  35          HG22      THR  35  -0.145  14.991   1.618
  289   HG23  THR  35          HG23      THR  35  -1.769  15.441   1.041
  290    H    ALA  36           H        ALA  36  -0.164  12.564  -2.778
  291    HA   ALA  36           HA       ALA  36  -0.923  10.178  -1.237
  292    HB1  ALA  36           HB1      ALA  36  -1.100  10.847  -4.203
  293    HB2  ALA  36           HB2      ALA  36  -1.774   9.395  -3.428
  294    HB3  ALA  36           HB3      ALA  36  -2.406  10.991  -2.996
  295    H    VAL  37           H        VAL  37   1.742  11.236  -3.269
  296    HA   VAL  37           HA       VAL  37   2.942   8.510  -3.224
  297    HB   VAL  37           HB       VAL  37   3.195  10.555  -5.459
  298   HG11  VAL  37          HG11      VAL  37   5.009   8.841  -5.269
  299   HG12  VAL  37          HG12      VAL  37   3.788   7.556  -5.333
  300   HG13  VAL  37          HG13      VAL  37   4.040   8.624  -6.730
  301   HG21  VAL  37          HG21      VAL  37   1.658   9.140  -6.770
  302   HG22  VAL  37          HG22      VAL  37   1.303   8.168  -5.320
  303   HG23  VAL  37          HG23      VAL  37   0.840   9.882  -5.411
  304    HA   PRO  38           HA       PRO  38   5.349  11.724  -0.951
  305    HB2  PRO  38           HB2      PRO  38   6.244  10.217   1.170
  306    HB3  PRO  38           HB3      PRO  38   4.608  10.933   1.066
  307    HG2  PRO  38           HG2      PRO  38   5.453   8.107   0.359
  308    HG3  PRO  38           HG3      PRO  38   4.064   8.632   1.369
  309    HD2  PRO  38           HD2      PRO  38   3.754   7.992  -1.250
  310    HD3  PRO  38           HD3      PRO  38   2.844   9.349  -0.518
  311    H    ASP  39           H        ASP  39   6.422   8.746  -2.412
  312    HA   ASP  39           HA       ASP  39   9.001  10.006  -2.959
  313    HB2  ASP  39           HB2      ASP  39   9.494   8.563  -0.984
  314    HB3  ASP  39           HB3      ASP  39   8.822   7.171  -1.839
  315    H    LYS  40           H        LYS  40   9.590   9.527  -5.070
  316    HA   LYS  40           HA       LYS  40   7.555   8.745  -6.811
  317    HB2  LYS  40           HB2      LYS  40   9.239   8.832  -8.588
  318    HB3  LYS  40           HB3      LYS  40   9.357  10.220  -7.510
  319    HG2  LYS  40           HG2      LYS  40  11.303   9.233  -6.373
  320    HG3  LYS  40           HG3      LYS  40  11.179   7.764  -7.339
  321    HD2  LYS  40           HD2      LYS  40  11.708  10.545  -8.463
  322    HD3  LYS  40           HD3      LYS  40  12.967   9.373  -8.092
  323    HE2  LYS  40           HE2      LYS  40  10.714   8.909 -10.100
  324    HE3  LYS  40           HE3      LYS  40  12.312   9.495 -10.527
  325    HZ1  LYS  40           HZ1      LYS  40  11.954   7.066 -10.793
  326    HZ2  LYS  40           HZ2      LYS  40  13.270   7.439  -9.878
  327    HZ3  LYS  40           HZ3      LYS  40  11.887   6.892  -9.184
  328    H    ASN  41           H        ASN  41   9.797   6.604  -5.159
  329    HA   ASN  41           HA       ASN  41   9.755   4.472  -7.087
  330    HB2  ASN  41           HB2      ASN  41  11.450   4.667  -5.295
  331    HB3  ASN  41           HB3      ASN  41  10.195   4.427  -4.076
  332   HD21  ASN  41          HD22      ASN  41   9.996   2.312  -3.344
  333   HD22  ASN  41          HD21      ASN  41  10.471   0.903  -4.252
  334    H    ASP  42           H        ASP  42   7.368   5.564  -4.709
  335    HA   ASP  42           HA       ASP  42   6.165   2.977  -4.280
  336    HB2  ASP  42           HB2      ASP  42   5.943   4.895  -2.710
  337    HB3  ASP  42           HB3      ASP  42   4.943   5.731  -3.917
  338    H    THR  43           H        THR  43   4.205   2.140  -5.168
  339    HA   THR  43           HA       THR  43   4.058   2.697  -8.019
  340    HB   THR  43           HB       THR  43   2.177   0.809  -6.622
  341    HG1  THR  43           HG1      THR  43   3.779   0.016  -5.644
  342   HG21  THR  43          HG21      THR  43   3.806   0.615  -9.195
  343   HG22  THR  43          HG22      THR  43   2.653  -0.603  -8.600
  344   HG23  THR  43          HG23      THR  43   2.075   0.999  -9.077
  345    H    VAL  44           H        VAL  44   2.269   3.509  -9.171
  346    HA   VAL  44           HA       VAL  44  -0.043   4.521  -7.590
  347    HB   VAL  44           HB       VAL  44   1.185   6.096  -9.862
  348   HG11  VAL  44          HG11      VAL  44  -0.432   6.909  -7.417
  349   HG12  VAL  44          HG12      VAL  44   0.067   7.978  -8.748
  350   HG13  VAL  44          HG13      VAL  44  -1.088   6.675  -9.051
  351   HG21  VAL  44          HG21      VAL  44   3.085   5.936  -8.349
  352   HG22  VAL  44          HG22      VAL  44   2.390   7.545  -8.269
  353   HG23  VAL  44          HG23      VAL  44   2.060   6.377  -6.964
  354    H    LYS  45           H        LYS  45  -1.990   4.190  -8.608
  355    HA   LYS  45           HA       LYS  45  -1.968   3.294 -11.460
  356    HB2  LYS  45           HB2      LYS  45  -3.487   2.170  -9.071
  357    HB3  LYS  45           HB3      LYS  45  -4.046   1.957 -10.737
  358    HG2  LYS  45           HG2      LYS  45  -1.950   0.876 -11.378
  359    HG3  LYS  45           HG3      LYS  45  -1.271   1.142  -9.762
  360    HD2  LYS  45           HD2      LYS  45  -2.937  -0.328  -8.757
  361    HD3  LYS  45           HD3      LYS  45  -3.738  -0.556 -10.332
  362    HE2  LYS  45           HE2      LYS  45  -1.777  -1.640 -11.262
  363    HE3  LYS  45           HE3      LYS  45  -0.806  -1.230  -9.840
  364    HZ1  LYS  45           HZ1      LYS  45  -3.124  -3.066  -9.764
  365    HZ2  LYS  45           HZ2      LYS  45  -1.561  -3.532  -9.818
  366    HZ3  LYS  45           HZ3      LYS  45  -2.098  -2.704  -8.516
  367    H    VAL  46           H        VAL  46  -3.023   4.738 -12.667
  368    HA   VAL  46           HA       VAL  46  -4.989   6.529 -11.316
  369    HB   VAL  46           HB       VAL  46  -4.400   8.216 -13.033
  370   HG11  VAL  46          HG11      VAL  46  -2.350   8.977 -11.928
  371   HG12  VAL  46          HG12      VAL  46  -3.498   8.329 -10.750
  372   HG13  VAL  46          HG13      VAL  46  -2.088   7.362 -11.240
  373   HG21  VAL  46          HG21      VAL  46  -1.949   6.493 -13.623
  374   HG22  VAL  46          HG22      VAL  46  -3.302   6.762 -14.742
  375   HG23  VAL  46          HG23      VAL  46  -2.287   8.116 -14.246
  376    H    TYR  47           H        TYR  47  -6.957   6.862 -12.288
  377    HA   TYR  47           HA       TYR  47  -7.464   5.917 -14.988
  378    HB2  TYR  47           HB2      TYR  47  -9.190   4.391 -14.494
  379    HB3  TYR  47           HB3      TYR  47  -7.798   3.859 -13.560
  380    HD1  TYR  47           HD1      TYR  47 -11.175   5.298 -13.475
  381    HD2  TYR  47           HD2      TYR  47  -7.788   4.137 -11.060
  382    HE1  TYR  47           HE1      TYR  47 -12.443   5.859 -11.440
  383    HE2  TYR  47           HE2      TYR  47  -9.124   4.551  -9.000
  384    HH   TYR  47           HH       TYR  47 -12.174   6.316  -9.202
  385    H    CYS  48           H        CYS  48  -9.845   6.505 -15.474
  386    HA   CYS  48           HA       CYS  48 -11.205   8.260 -13.652
  387    HB2  CYS  48           HB2      CYS  48 -11.313  10.220 -15.208
  388    HB3  CYS  48           HB3      CYS  48  -9.673   9.908 -14.636
  389    HG   CYS  48           HG       CYS  48  -8.943   8.444 -16.685
  390    H    ASN  49           H        ASN  49 -13.076   9.263 -15.517
  391    HA   ASN  49           HA       ASN  49 -14.833   7.132 -15.824
  392    HB2  ASN  49           HB2      ASN  49 -15.325   9.622 -15.908
  393    HB3  ASN  49           HB3      ASN  49 -14.740   9.649 -17.560
  394   HD21  ASN  49          HD21      ASN  49 -16.059   6.817 -18.031
  395   HD22  ASN  49          HD22      ASN  49 -17.745   7.247 -18.238
  396    H    ALA  50           H        ALA  50 -12.838   8.627 -18.383
  397    HA   ALA  50           HA       ALA  50 -13.130   6.211 -20.105
  398    HB1  ALA  50           HB1      ALA  50 -14.801   7.954 -20.698
  399    HB2  ALA  50           HB2      ALA  50 -13.485   9.130 -20.930
  400    HB3  ALA  50           HB3      ALA  50 -13.615   7.710 -21.990
  401    H    GLY  51           H        GLY  51 -10.858   7.018 -18.429
  402    HA2  GLY  51           HA2      GLY  51  -8.633   6.627 -18.651
  403    HA3  GLY  51           HA3      GLY  51  -8.866   6.449 -20.388
  404    H    ARG  52           H        ARG  52  -9.957   9.355 -20.532
  405    HA   ARG  52           HA       ARG  52  -7.438  10.391 -21.383
  406    HB2  ARG  52           HB2      ARG  52  -9.918  12.086 -20.897
  407    HB3  ARG  52           HB3      ARG  52  -8.577  12.401 -21.993
  408    HG2  ARG  52           HG2      ARG  52 -10.802  10.351 -22.312
  409    HG3  ARG  52           HG3      ARG  52 -10.435  11.748 -23.320
  410    HD2  ARG  52           HD2      ARG  52  -8.185  10.587 -23.833
  411    HD3  ARG  52           HD3      ARG  52  -8.887   9.131 -23.124
  412    HE   ARG  52           HE       ARG  52  -9.495  10.413 -25.676
  413   HH11  ARG  52          HH11      ARG  52 -10.796   8.054 -23.301
  414   HH12  ARG  52          HH12      ARG  52 -11.714   7.217 -24.494
  415   HH21  ARG  52          HH21      ARG  52 -10.775   9.304 -27.192
  416   HH22  ARG  52          HH22      ARG  52 -11.736   7.956 -26.723
  417    H    GLN  53           H        GLN  53  -9.190  11.310 -18.404
  418    HA   GLN  53           HA       GLN  53  -7.240  13.329 -17.774
  419    HB2  GLN  53           HB2      GLN  53  -9.190  11.809 -16.007
  420    HB3  GLN  53           HB3      GLN  53  -8.051  12.975 -15.382
  421    HG2  GLN  53           HG2      GLN  53 -10.323  13.915 -15.671
  422    HG3  GLN  53           HG3      GLN  53  -9.053  14.788 -16.534
  423   HE21  GLN  53          HE22      GLN  53 -11.493  12.147 -17.140
  424   HE22  GLN  53          HE21      GLN  53 -11.847  12.667 -18.765
  425    H    SER  54           H        SER  54  -7.341   9.780 -17.241
  426    HA   SER  54           HA       SER  54  -5.022   9.817 -15.502
  427    HB2  SER  54           HB2      SER  54  -5.277   7.251 -16.023
  428    HB3  SER  54           HB3      SER  54  -6.358   8.123 -14.938
  429    HG   SER  54           HG       SER  54  -6.875   7.450 -17.646
  430    H    GLY  55           H        GLY  55  -5.470   9.141 -19.008
  431    HA2  GLY  55           HA2      GLY  55  -2.733   8.406 -19.480
  432    HA3  GLY  55           HA3      GLY  55  -3.866   9.114 -20.656
  433    H    GLN  56           H        GLN  56  -4.510  11.536 -19.574
  434    HA   GLN  56           HA       GLN  56  -2.334  13.242 -20.069
  435    HB2  GLN  56           HB2      GLN  56  -5.062  13.494 -18.804
  436    HB3  GLN  56           HB3      GLN  56  -3.928  14.857 -18.691
  437    HG2  GLN  56           HG2      GLN  56  -3.689  14.938 -21.122
  438    HG3  GLN  56           HG3      GLN  56  -4.710  13.506 -21.304
  439   HE21  GLN  56          HE22      GLN  56  -6.945  13.684 -20.356
  440   HE22  GLN  56          HE21      GLN  56  -7.802  15.215 -20.513
  441    H    ALA  57           H        ALA  57  -3.603  12.065 -16.880
  442    HA   ALA  57           HA       ALA  57  -1.717  13.468 -15.311
  443    HB1  ALA  57           HB1      ALA  57  -2.330  11.925 -13.512
  444    HB2  ALA  57           HB2      ALA  57  -3.771  12.486 -14.381
  445    HB3  ALA  57           HB3      ALA  57  -3.127  10.847 -14.672
  446    H    LYS  58           H        LYS  58  -1.547  10.115 -16.701
  447    HA   LYS  58           HA       LYS  58   0.963   9.465 -15.546
  448    HB2  LYS  58           HB2      LYS  58  -0.605   7.862 -16.666
  449    HB3  LYS  58           HB3      LYS  58  -0.158   8.554 -18.234
  450    HG2  LYS  58           HG2      LYS  58   2.216   7.881 -17.826
  451    HG3  LYS  58           HG3      LYS  58   1.736   7.174 -16.271
  452    HD2  LYS  58           HD2      LYS  58   0.257   5.574 -17.450
  453    HD3  LYS  58           HD3      LYS  58   0.676   6.327 -19.005
  454    HE2  LYS  58           HE2      LYS  58   3.090   5.768 -18.575
  455    HE3  LYS  58           HE3      LYS  58   2.607   4.911 -17.106
  456    HZ1  LYS  58           HZ1      LYS  58   1.311   3.387 -18.491
  457    HZ2  LYS  58           HZ2      LYS  58   1.737   4.204 -19.854
  458    HZ3  LYS  58           HZ3      LYS  58   2.868   3.414 -18.987
  459    H    GLU  59           H        GLU  59   0.172  11.232 -18.590
  460    HA   GLU  59           HA       GLU  59   2.860  11.460 -19.474
  461    HB2  GLU  59           HB2      GLU  59   0.376  13.122 -20.018
  462    HB3  GLU  59           HB3      GLU  59   1.951  13.524 -20.707
  463    HG2  GLU  59           HG2      GLU  59   2.112  11.287 -21.733
  464    HG3  GLU  59           HG3      GLU  59   0.542  10.847 -21.073
  465    H    ILE  60           H        ILE  60   0.931  13.945 -17.476
  466    HA   ILE  60           HA       ILE  60   3.238  15.594 -17.331
  467    HB   ILE  60           HB       ILE  60   2.102  16.841 -15.665
  468   HG12  ILE  60          HG12      ILE  60   0.192  14.521 -15.401
  469   HG13  ILE  60          HG13      ILE  60   1.244  15.188 -14.143
  470   HG21  ILE  60          HG21      ILE  60   1.425  16.988 -18.074
  471   HG22  ILE  60          HG22      ILE  60   0.035  15.947 -17.706
  472   HG23  ILE  60          HG23      ILE  60   0.190  17.539 -16.944
  473   HD11  ILE  60          HD11      ILE  60  -1.001  15.864 -13.715
  474   HD12  ILE  60          HD12      ILE  60  -0.090  17.294 -14.235
  475   HD13  ILE  60          HD13      ILE  60  -1.204  16.470 -15.369
  476    H    LEU  61           H        LEU  61   2.168  12.861 -15.271
  477    HA   LEU  61           HA       LEU  61   4.094  13.426 -13.218
  478    HB2  LEU  61           HB2      LEU  61   2.604  10.883 -13.982
  479    HB3  LEU  61           HB3      LEU  61   3.643  11.013 -12.561
  480    HG   LEU  61           HG       LEU  61   1.251  12.844 -13.030
  481   HD11  LEU  61          HD11      LEU  61   1.434  10.355 -11.282
  482   HD12  LEU  61          HD12      LEU  61   0.071  11.495 -11.349
  483   HD13  LEU  61          HD13      LEU  61   0.474  10.531 -12.772
  484   HD21  LEU  61          HD21      LEU  61   1.455  13.414 -10.738
  485   HD22  LEU  61          HD22      LEU  61   2.860  12.337 -10.510
  486   HD23  LEU  61          HD23      LEU  61   2.965  13.797 -11.522
  487    H    SER  62           H        SER  62   4.265  11.506 -16.219
  488    HA   SER  62           HA       SER  62   6.882  10.447 -15.731
  489    HB2  SER  62           HB2      SER  62   5.557  11.159 -18.383
  490    HB3  SER  62           HB3      SER  62   6.947  10.087 -18.147
  491    HG   SER  62           HG       SER  62   4.268   9.728 -17.259
  492    H    GLU  63           H        GLU  63   5.720  13.559 -17.135
  493    HA   GLU  63           HA       GLU  63   8.320  14.521 -17.837
  494    HB2  GLU  63           HB2      GLU  63   6.005  15.272 -18.637
  495    HB3  GLU  63           HB3      GLU  63   5.875  16.214 -17.160
  496    HG2  GLU  63           HG2      GLU  63   8.085  16.468 -19.252
  497    HG3  GLU  63           HG3      GLU  63   6.635  17.460 -19.212
  498    H    MET  64           H        MET  64   6.280  14.932 -14.903
  499    HA   MET  64           HA       MET  64   8.043  16.627 -13.453
  500    HB2  MET  64           HB2      MET  64   5.895  14.664 -12.570
  501    HB3  MET  64           HB3      MET  64   6.760  15.711 -11.443
  502    HG2  MET  64           HG2      MET  64   5.914  17.706 -12.461
  503    HG3  MET  64           HG3      MET  64   5.308  16.833 -13.855
  504    HE1  MET  64           HE1      MET  64   3.291  16.950  -9.686
  505    HE2  MET  64           HE2      MET  64   4.924  16.287  -9.904
  506    HE3  MET  64           HE3      MET  64   4.616  18.011 -10.210
  507    H    GLY  65           H        GLY  65   8.033  13.103 -13.906
  508    HA2  GLY  65           HA2      GLY  65  10.329  12.258 -14.032
  509    HA3  GLY  65           HA3      GLY  65  10.660  12.991 -12.462
  510    H    TYR  66           H        TYR  66   7.495  11.562 -12.554
  511    HA   TYR  66           HA       TYR  66   8.346   9.440 -10.729
  512    HB2  TYR  66           HB2      TYR  66   5.661  10.023 -12.033
  513    HB3  TYR  66           HB3      TYR  66   5.969   8.762 -10.848
  514    HD1  TYR  66           HD1      TYR  66   5.800  12.465 -11.303
  515    HD2  TYR  66           HD2      TYR  66   6.083   9.201  -8.500
  516    HE1  TYR  66           HE1      TYR  66   5.344  14.031  -9.452
  517    HE2  TYR  66           HE2      TYR  66   5.644  10.775  -6.628
  518    HH   TYR  66           HH       TYR  66   5.123  14.286  -7.140
  519    H    THR  67           H        THR  67   8.405   7.223 -11.222
  520    HA   THR  67           HA       THR  67   8.266   6.449 -14.096
  521    HB   THR  67           HB       THR  67  10.359   5.080 -13.496
  522    HG1  THR  67           HG1      THR  67  10.577   5.181 -11.362
  523   HG21  THR  67          HG21      THR  67  10.658   8.106 -13.334
  524   HG22  THR  67          HG22      THR  67  11.882   6.926 -13.841
  525   HG23  THR  67          HG23      THR  67  10.440   7.183 -14.838
  526    H    HIS  68           H        HIS  68   6.544   5.959 -11.458
  527    HA   HIS  68           HA       HIS  68   6.218   3.029 -11.841
  528    HB2  HIS  68           HB2      HIS  68   6.341   4.489  -9.169
  529    HB3  HIS  68           HB3      HIS  68   6.018   2.771  -9.397
  530    HD1  HIS  68           HD1      HIS  68   8.169   1.196  -9.695
  531    HD2  HIS  68           HD2      HIS  68   8.902   5.336  -9.749
  532    HE1  HIS  68           HE1      HIS  68  10.698   1.478  -9.638
  533    H    VAL  69           H        VAL  69   4.745   5.109 -13.054
  534    HA   VAL  69           HA       VAL  69   2.104   5.021 -11.671
  535    HB   VAL  69           HB       VAL  69   3.079   6.984 -13.793
  536   HG11  VAL  69          HG11      VAL  69   0.573   7.017 -12.047
  537   HG12  VAL  69          HG12      VAL  69   1.067   8.281 -13.193
  538   HG13  VAL  69          HG13      VAL  69   0.628   6.685 -13.793
  539   HG21  VAL  69          HG21      VAL  69   2.818   7.443 -10.791
  540   HG22  VAL  69          HG22      VAL  69   4.322   7.424 -11.731
  541   HG23  VAL  69          HG23      VAL  69   3.134   8.693 -12.010
  542    H    GLU  70           H        GLU  70   0.452   3.989 -12.826
  543    HA   GLU  70           HA       GLU  70   0.869   3.518 -15.705
  544    HB2  GLU  70           HB2      GLU  70   1.633   1.462 -14.553
  545    HB3  GLU  70           HB3      GLU  70   0.103   1.367 -13.680
  546    HG2  GLU  70           HG2      GLU  70   0.159  -0.220 -15.531
  547    HG3  GLU  70           HG3      GLU  70  -1.109   0.964 -15.780
  548    H    ASN  71           H        ASN  71  -1.091   3.355 -16.863
  549    HA   ASN  71           HA       ASN  71  -3.429   4.511 -15.468
  550    HB2  ASN  71           HB2      ASN  71  -3.076   5.584 -17.565
  551    HB3  ASN  71           HB3      ASN  71  -2.849   4.036 -18.400
  552   HD21  ASN  71          HD22      ASN  71  -5.457   5.048 -16.016
  553   HD22  ASN  71          HD21      ASN  71  -6.757   4.739 -17.145
  554    H    ALA  72           H        ALA  72  -4.676   3.034 -14.440
  555    HA   ALA  72           HA       ALA  72  -4.462   0.215 -14.902
  556    HB1  ALA  72           HB1      ALA  72  -5.093   1.159 -12.725
  557    HB2  ALA  72           HB2      ALA  72  -6.596   1.814 -13.418
  558    HB3  ALA  72           HB3      ALA  72  -6.351   0.059 -13.317
  559    H    GLY  73           H        GLY  73  -6.599   2.687 -16.296
  560    HA2  GLY  73           HA2      GLY  73  -7.483   1.615 -18.563
  561    HA3  GLY  73           HA3      GLY  73  -8.467   0.705 -17.401
  562    H    GLY  74           H        GLY  74 -10.404   1.681 -18.068
  563    HA2  GLY  74           HA2      GLY  74 -10.832   4.448 -17.043
  564    HA3  GLY  74           HA3      GLY  74 -11.724   3.796 -18.430
  565    H    LEU  75           H        LEU  75 -12.854   4.648 -15.917
  566    HA   LEU  75           HA       LEU  75 -13.119   2.820 -13.915
  567    HB2  LEU  75           HB2      LEU  75 -13.848   5.162 -13.864
  568    HB3  LEU  75           HB3      LEU  75 -15.203   4.797 -14.932
  569    HG   LEU  75           HG       LEU  75 -16.276   3.437 -13.181
  570   HD11  LEU  75          HD11      LEU  75 -14.344   2.473 -11.996
  571   HD12  LEU  75          HD12      LEU  75 -13.841   4.086 -11.462
  572   HD13  LEU  75          HD13      LEU  75 -15.350   3.383 -10.864
  573   HD21  LEU  75          HD21      LEU  75 -16.649   5.865 -13.239
  574   HD22  LEU  75          HD22      LEU  75 -16.723   5.251 -11.583
  575   HD23  LEU  75          HD23      LEU  75 -15.278   6.120 -12.133
  576    H    LYS  76           H        LYS  76 -15.146   2.854 -16.872
  577    HA   LYS  76           HA       LYS  76 -16.931   0.779 -15.895
  578    HB2  LYS  76           HB2      LYS  76 -16.415   1.863 -18.702
  579    HB3  LYS  76           HB3      LYS  76 -17.660   0.676 -18.297
  580    HG2  LYS  76           HG2      LYS  76 -18.695   2.288 -16.707
  581    HG3  LYS  76           HG3      LYS  76 -17.498   3.511 -17.179
  582    HD2  LYS  76           HD2      LYS  76 -18.305   3.427 -19.513
  583    HD3  LYS  76           HD3      LYS  76 -19.472   2.159 -19.075
  584    HE2  LYS  76           HE2      LYS  76 -20.558   3.714 -17.469
  585    HE3  LYS  76           HE3      LYS  76 -19.409   4.981 -17.912
  586    HZ1  LYS  76           HZ1      LYS  76 -20.311   4.907 -20.172
  587    HZ2  LYS  76           HZ2      LYS  76 -21.373   3.738 -19.752
  588    HZ3  LYS  76           HZ3      LYS  76 -21.495   5.223 -19.099
  589    H    ASP  77           H        ASP  77 -13.829   0.757 -17.609
  590    HA   ASP  77           HA       ASP  77 -14.146  -2.008 -18.556
  591    HB2  ASP  77           HB2      ASP  77 -12.945  -0.382 -19.931
  592    HB3  ASP  77           HB3      ASP  77 -11.812  -0.056 -18.616
  593    H    ILE  78           H        ILE  78 -12.481  -0.231 -15.964
  594    HA   ILE  78           HA       ILE  78 -10.775  -2.274 -15.018
  595    HB   ILE  78           HB       ILE  78 -12.041   0.208 -13.816
  596   HG12  ILE  78          HG12      ILE  78  -9.119  -0.470 -14.413
  597   HG13  ILE  78          HG13      ILE  78 -10.188   0.247 -15.611
  598   HG21  ILE  78          HG21      ILE  78 -11.745  -1.258 -11.898
  599   HG22  ILE  78          HG22      ILE  78 -10.062  -1.627 -12.388
  600   HG23  ILE  78          HG23      ILE  78 -10.532   0.000 -11.853
  601   HD11  ILE  78          HD11      ILE  78  -8.895   1.986 -14.612
  602   HD12  ILE  78          HD12      ILE  78 -10.582   2.192 -14.105
  603   HD13  ILE  78          HD13      ILE  78  -9.378   1.528 -12.976
  604    H    ALA  79           H        ALA  79 -11.134  -4.107 -13.921
  605    HA   ALA  79           HA       ALA  79 -13.855  -4.969 -13.442
  606    HB1  ALA  79           HB1      ALA  79 -12.791  -7.133 -12.963
  607    HB2  ALA  79           HB2      ALA  79 -12.121  -6.430 -14.444
  608    HB3  ALA  79           HB3      ALA  79 -11.191  -6.366 -12.926
  609    H    MET  80           H        MET  80 -11.706  -3.247 -11.451
  610    HA   MET  80           HA       MET  80 -12.051  -4.483  -8.915
  611    HB2  MET  80           HB2      MET  80 -11.666  -1.539  -9.628
  612    HB3  MET  80           HB3      MET  80 -11.536  -2.194  -8.009
  613    HG2  MET  80           HG2      MET  80  -9.772  -3.035 -10.335
  614    HG3  MET  80           HG3      MET  80  -9.347  -1.830  -9.128
  615    HE1  MET  80           HE1      MET  80  -8.445  -2.254  -6.815
  616    HE2  MET  80           HE2      MET  80 -10.054  -2.830  -6.320
  617    HE3  MET  80           HE3      MET  80  -8.609  -3.780  -5.920
  618    HA   PRO  81           HA       PRO  81 -16.268  -3.209  -7.899
  619    HB2  PRO  81           HB2      PRO  81 -16.151  -2.949  -5.167
  620    HB3  PRO  81           HB3      PRO  81 -16.124  -4.532  -6.000
  621    HG2  PRO  81           HG2      PRO  81 -13.762  -2.925  -4.982
  622    HG3  PRO  81           HG3      PRO  81 -14.108  -4.665  -4.728
  623    HD2  PRO  81           HD2      PRO  81 -12.412  -3.796  -6.668
  624    HD3  PRO  81           HD3      PRO  81 -13.484  -5.200  -6.941
  625    H    LYS  82           H        LYS  82 -17.418  -1.340  -6.774
  626    HA   LYS  82           HA       LYS  82 -15.816   1.172  -6.882
  627    HB2  LYS  82           HB2      LYS  82 -18.473   0.608  -8.280
  628    HB3  LYS  82           HB3      LYS  82 -17.818   2.211  -8.011
  629    HG2  LYS  82           HG2      LYS  82 -17.080   1.925 -10.112
  630    HG3  LYS  82           HG3      LYS  82 -15.676   1.307  -9.240
  631    HD2  LYS  82           HD2      LYS  82 -16.598  -1.026  -9.595
  632    HD3  LYS  82           HD3      LYS  82 -17.903  -0.320 -10.559
  633    HE2  LYS  82           HE2      LYS  82 -16.311   0.546 -12.194
  634    HE3  LYS  82           HE3      LYS  82 -14.945   0.120 -11.152
  635    HZ1  LYS  82           HZ1      LYS  82 -15.496  -2.189 -11.413
  636    HZ2  LYS  82           HZ2      LYS  82 -16.757  -1.841 -12.424
  637    HZ3  LYS  82           HZ3      LYS  82 -15.206  -1.521 -12.870
  638    H    VAL  83           H        VAL  83 -17.204   3.033  -6.052
  639    HA   VAL  83           HA       VAL  83 -19.381   2.343  -4.278
  640    HB   VAL  83           HB       VAL  83 -17.483   2.091  -2.808
  641   HG11  VAL  83          HG11      VAL  83 -16.860   5.036  -3.176
  642   HG12  VAL  83          HG12      VAL  83 -15.990   3.884  -2.148
  643   HG13  VAL  83          HG13      VAL  83 -15.908   3.745  -3.916
  644   HG21  VAL  83          HG21      VAL  83 -18.961   4.568  -1.934
  645   HG22  VAL  83          HG22      VAL  83 -19.605   2.903  -1.867
  646   HG23  VAL  83          HG23      VAL  83 -18.171   3.346  -0.934
  647    H    LYS  84           H        LYS  84 -20.307   4.430  -3.474
  648    HA   LYS  84           HA       LYS  84 -20.207   6.635  -5.461
  649    HB2  LYS  84           HB2      LYS  84 -22.696   4.923  -4.959
  650    HB3  LYS  84           HB3      LYS  84 -22.611   6.370  -5.968
  651    HG2  LYS  84           HG2      LYS  84 -21.026   5.189  -7.496
  652    HG3  LYS  84           HG3      LYS  84 -21.132   3.750  -6.492
  653    HD2  LYS  84           HD2      LYS  84 -22.489   3.425  -8.401
  654    HD3  LYS  84           HD3      LYS  84 -23.512   3.513  -6.967
  655    HE2  LYS  84           HE2      LYS  84 -24.602   4.653  -8.774
  656    HE3  LYS  84           HE3      LYS  84 -24.115   5.872  -7.590
  657    HZ1  LYS  84           HZ1      LYS  84 -22.332   6.512  -8.979
  658    HZ2  LYS  84           HZ2      LYS  84 -22.486   5.199  -9.976
  659    HZ3  LYS  84           HZ3      LYS  84 -23.628   6.396  -9.979
  660    H    GLY  85           H        GLY  85 -21.433   8.518  -4.672
  661    HA2  GLY  85           HA2      GLY  85 -22.937   8.412  -2.208
  662    HA3  GLY  85           HA3      GLY  85 -21.327   9.122  -1.987
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1   5.202  -0.497  -1.217
    2    H2   ALA   1           H2       ALA   1   5.077  -0.790  -2.834
    3    H3   ALA   1           H3       ALA   1   5.106   0.754  -2.299
    4    HA   ALA   1           HA       ALA   1   2.982  -1.203  -1.813
    5    HB1  ALA   1           HB1      ALA   1   1.761   0.597  -0.686
    6    HB2  ALA   1           HB2      ALA   1   3.316   0.352   0.112
    7    HB3  ALA   1           HB3      ALA   1   3.094   1.735  -0.982
    8    H    GLU   2           H        GLU   2   0.901   0.688  -2.517
    9    HA   GLU   2           HA       GLU   2   1.577   1.854  -5.053
   10    HB2  GLU   2           HB2      GLU   2  -0.176   0.757  -6.361
   11    HB3  GLU   2           HB3      GLU   2   1.044  -0.398  -5.834
   12    HG2  GLU   2           HG2      GLU   2  -0.469  -1.201  -4.036
   13    HG3  GLU   2           HG3      GLU   2  -1.678  -0.003  -4.515
   14    H    HIS   3           H        HIS   3  -0.314   3.178  -5.844
   15    HA   HIS   3           HA       HIS   3  -2.406   3.749  -3.815
   16    HB2  HIS   3           HB2      HIS   3  -0.630   5.786  -5.237
   17    HB3  HIS   3           HB3      HIS   3  -2.165   6.186  -4.477
   18    HD1  HIS   3           HD1      HIS   3  -2.180   6.401  -1.811
   19    HD2  HIS   3           HD2      HIS   3   1.439   5.151  -3.560
   20    HE1  HIS   3           HE1      HIS   3  -0.416   6.550   0.017
   21    H    TRP   4           H        TRP   4  -4.356   3.671  -4.799
   22    HA   TRP   4           HA       TRP   4  -4.549   3.797  -7.765
   23    HB2  TRP   4           HB2      TRP   4  -6.524   2.987  -5.589
   24    HB3  TRP   4           HB3      TRP   4  -6.984   3.269  -7.256
   25    HD1  TRP   4           HD1      TRP   4  -4.500   1.008  -5.317
   26    HE1  TRP   4           HE1      TRP   4  -4.157  -1.172  -6.559
   27    HE3  TRP   4           HE3      TRP   4  -7.475   1.976  -9.375
   28    HZ2  TRP   4           HZ2      TRP   4  -5.151  -2.417  -9.017
   29    HZ3  TRP   4           HZ3      TRP   4  -7.752   0.274 -11.152
   30    HH2  TRP   4           HH2      TRP   4  -6.589  -1.917 -10.991
   31    H    ILE   5           H        ILE   5  -4.959   5.785  -8.588
   32    HA   ILE   5           HA       ILE   5  -6.257   7.813  -6.821
   33    HB   ILE   5           HB       ILE   5  -4.030   8.298  -8.828
   34   HG12  ILE   5          HG12      ILE   5  -3.937   8.494  -5.775
   35   HG13  ILE   5          HG13      ILE   5  -3.184   7.220  -6.739
   36   HG21  ILE   5          HG21      ILE   5  -4.156  10.641  -8.020
   37   HG22  ILE   5          HG22      ILE   5  -5.702  10.139  -8.681
   38   HG23  ILE   5          HG23      ILE   5  -5.490  10.185  -6.929
   39   HD11  ILE   5          HD11      ILE   5  -2.430  10.143  -6.606
   40   HD12  ILE   5          HD12      ILE   5  -1.460   8.727  -6.191
   41   HD13  ILE   5          HD13      ILE   5  -1.846   9.070  -7.894
   42    H    ASP   6           H        ASP   6  -8.232   8.124  -7.581
   43    HA   ASP   6           HA       ASP   6  -8.971   7.788 -10.407
   44    HB2  ASP   6           HB2      ASP   6 -10.582   7.433  -8.529
   45    HB3  ASP   6           HB3      ASP   6 -10.390   9.116  -8.057
   46    H    VAL   7           H        VAL   7  -8.533   9.413 -11.865
   47    HA   VAL   7           HA       VAL   7  -7.794  12.098 -10.776
   48    HB   VAL   7           HB       VAL   7  -6.379  12.374 -12.761
   49   HG11  VAL   7          HG11      VAL   7  -5.649   9.916 -11.113
   50   HG12  VAL   7          HG12      VAL   7  -4.536  10.970 -12.002
   51   HG13  VAL   7          HG13      VAL   7  -5.414  11.597 -10.608
   52   HG21  VAL   7          HG21      VAL   7  -6.713   9.382 -13.226
   53   HG22  VAL   7          HG22      VAL   7  -7.475  10.634 -14.228
   54   HG23  VAL   7          HG23      VAL   7  -5.710  10.525 -14.120
   55    H    ARG   8           H        ARG   8 -10.512  10.792 -11.773
   56    HA   ARG   8           HA       ARG   8 -11.491  12.494 -13.849
   57    HB2  ARG   8           HB2      ARG   8 -12.740  11.176 -11.396
   58    HB3  ARG   8           HB3      ARG   8 -13.670  12.342 -12.305
   59    HG2  ARG   8           HG2      ARG   8 -13.404  11.102 -14.384
   60    HG3  ARG   8           HG3      ARG   8 -12.429   9.898 -13.519
   61    HD2  ARG   8           HD2      ARG   8 -15.288  10.523 -12.800
   62    HD3  ARG   8           HD3      ARG   8 -14.816   9.225 -13.911
   63    HE   ARG   8           HE       ARG   8 -13.348   9.031 -11.447
   64   HH11  ARG   8          HH21      ARG   8 -16.669   8.416 -12.738
   65   HH12  ARG   8          HH22      ARG   8 -17.043   7.369 -11.399
   66   HH21  ARG   8          HH11      ARG   8 -13.990   7.798  -9.778
   67   HH22  ARG   8          HH12      ARG   8 -15.582   7.029  -9.744
   68    H    VAL   9           H        VAL   9 -12.766  14.359 -13.724
   69    HA   VAL   9           HA       VAL   9 -11.950  16.477 -12.066
   70    HB   VAL   9           HB       VAL   9 -14.038  17.592 -12.818
   71   HG11  VAL   9          HG11      VAL   9 -11.975  17.612 -14.194
   72   HG12  VAL   9          HG12      VAL   9 -12.541  16.169 -15.065
   73   HG13  VAL   9          HG13      VAL   9 -13.443  17.692 -15.177
   74   HG21  VAL   9          HG21      VAL   9 -15.500  16.514 -14.490
   75   HG22  VAL   9          HG22      VAL   9 -14.684  14.961 -14.242
   76   HG23  VAL   9          HG23      VAL   9 -15.610  15.717 -12.923
   77    HA   PRO  10           HA       PRO  10 -13.258  15.141  -8.272
   78    HB2  PRO  10           HB2      PRO  10 -14.203  17.420  -6.910
   79    HB3  PRO  10           HB3      PRO  10 -12.512  16.891  -7.102
   80    HG2  PRO  10           HG2      PRO  10 -14.007  19.005  -8.602
   81    HG3  PRO  10           HG3      PRO  10 -12.245  18.915  -8.223
   82    HD2  PRO  10           HD2      PRO  10 -13.367  18.361 -10.695
   83    HD3  PRO  10           HD3      PRO  10 -11.813  17.707 -10.127
   84    H    GLU  11           H        GLU  11 -15.922  17.038  -9.778
   85    HA   GLU  11           HA       GLU  11 -17.953  15.950  -8.092
   86    HB2  GLU  11           HB2      GLU  11 -18.024  17.954  -9.772
   87    HB3  GLU  11           HB3      GLU  11 -18.402  16.705 -10.988
   88    HG2  GLU  11           HG2      GLU  11 -20.368  16.001  -9.684
   89    HG3  GLU  11           HG3      GLU  11 -19.974  17.166  -8.418
   90    H    GLN  12           H        GLN  12 -16.302  14.630 -10.985
   91    HA   GLN  12           HA       GLN  12 -18.490  12.775 -11.564
   92    HB2  GLN  12           HB2      GLN  12 -17.008  13.921 -13.332
   93    HB3  GLN  12           HB3      GLN  12 -15.726  12.830 -12.827
   94    HG2  GLN  12           HG2      GLN  12 -16.643  11.754 -14.653
   95    HG3  GLN  12           HG3      GLN  12 -17.450  10.916 -13.333
   96   HE21  GLN  12          HE22      GLN  12 -18.360  11.011 -16.063
   97   HE22  GLN  12          HE21      GLN  12 -19.880  11.888 -16.098
   98    H    TYR  13           H        TYR  13 -15.305  12.887  -9.998
   99    HA   TYR  13           HA       TYR  13 -14.870  10.182  -9.467
  100    HB2  TYR  13           HB2      TYR  13 -13.108  11.395  -8.745
  101    HB3  TYR  13           HB3      TYR  13 -14.075  12.770  -8.285
  102    HD1  TYR  13           HD1      TYR  13 -13.411   9.232  -7.130
  103    HD2  TYR  13           HD2      TYR  13 -14.278  13.311  -6.024
  104    HE1  TYR  13           HE1      TYR  13 -13.062   8.667  -4.747
  105    HE2  TYR  13           HE2      TYR  13 -14.019  12.732  -3.639
  106    HH   TYR  13           HH       TYR  13 -13.490  11.058  -2.101
  107    H    GLN  14           H        GLN  14 -16.834  12.546  -7.586
  108    HA   GLN  14           HA       GLN  14 -17.482  10.774  -5.506
  109    HB2  GLN  14           HB2      GLN  14 -18.898  13.263  -6.556
  110    HB3  GLN  14           HB3      GLN  14 -19.402  12.404  -5.103
  111    HG2  GLN  14           HG2      GLN  14 -17.122  12.724  -4.129
  112    HG3  GLN  14           HG3      GLN  14 -16.674  13.683  -5.541
  113   HE21  GLN  14          HE22      GLN  14 -19.097  13.482  -2.888
  114   HE22  GLN  14          HE21      GLN  14 -19.334  15.223  -2.738
  115    H    GLN  15           H        GLN  15 -18.903  10.908  -8.718
  116    HA   GLN  15           HA       GLN  15 -21.538  10.141  -8.002
  117    HB2  GLN  15           HB2      GLN  15 -20.107   9.651 -10.650
  118    HB3  GLN  15           HB3      GLN  15 -21.848   9.628 -10.377
  119    HG2  GLN  15           HG2      GLN  15 -19.996  12.032 -10.243
  120    HG3  GLN  15           HG3      GLN  15 -21.253  11.743 -11.415
  121   HE21  GLN  15          HE22      GLN  15 -20.531  13.600  -8.815
  122   HE22  GLN  15          HE21      GLN  15 -22.139  13.884  -8.161
  123    H    GLU  16           H        GLU  16 -18.685   8.161  -8.822
  124    HA   GLU  16           HA       GLU  16 -19.303   6.012  -7.166
  125    HB2  GLU  16           HB2      GLU  16 -21.109   5.388  -8.732
  126    HB3  GLU  16           HB3      GLU  16 -20.000   5.515 -10.111
  127    HG2  GLU  16           HG2      GLU  16 -18.752   3.583  -9.323
  128    HG3  GLU  16           HG3      GLU  16 -19.648   3.582  -7.793
  129    H    HIS  17           H        HIS  17 -17.288   4.930  -6.916
  130    HA   HIS  17           HA       HIS  17 -15.292   5.094  -9.068
  131    HB2  HIS  17           HB2      HIS  17 -13.707   6.304  -7.922
  132    HB3  HIS  17           HB3      HIS  17 -15.161   7.182  -7.514
  133    HD1  HIS  17           HD1      HIS  17 -16.210   5.821  -4.942
  134    HD2  HIS  17           HD2      HIS  17 -12.135   6.228  -5.940
  135    HE1  HIS  17           HE1      HIS  17 -14.910   5.824  -2.737
  136    H    VAL  18           H        VAL  18 -13.283   3.805  -8.433
  137    HA   VAL  18           HA       VAL  18 -14.106   1.191  -7.476
  138    HB   VAL  18           HB       VAL  18 -11.333   2.293  -8.136
  139   HG11  VAL  18          HG11      VAL  18 -10.761  -0.122  -8.460
  140   HG12  VAL  18          HG12      VAL  18 -11.158   0.278  -6.786
  141   HG13  VAL  18          HG13      VAL  18 -12.357  -0.553  -7.795
  142   HG21  VAL  18          HG21      VAL  18 -13.199   0.658  -9.912
  143   HG22  VAL  18          HG22      VAL  18 -12.870   2.395 -10.119
  144   HG23  VAL  18          HG23      VAL  18 -11.566   1.237 -10.312
  145    H    GLN  19           H        GLN  19 -13.978   0.475  -5.395
  146    HA   GLN  19           HA       GLN  19 -13.678   2.396  -3.341
  147    HB2  GLN  19           HB2      GLN  19 -14.029   0.580  -1.786
  148    HB3  GLN  19           HB3      GLN  19 -15.121   0.431  -3.163
  149    HG2  GLN  19           HG2      GLN  19 -13.692  -1.363  -4.120
  150    HG3  GLN  19           HG3      GLN  19 -12.553  -1.167  -2.789
  151   HE21  GLN  19          HE22      GLN  19 -12.755  -3.212  -1.828
  152   HE22  GLN  19          HE21      GLN  19 -14.243  -3.793  -1.128
  153    H    GLY  20           H        GLY  20 -12.184   2.598  -1.622
  154    HA2  GLY  20           HA2      GLY  20 -10.222   2.369  -0.466
  155    HA3  GLY  20           HA3      GLY  20  -9.681   1.133  -1.606
  156    H    ALA  21           H        ALA  21 -10.405   3.443  -3.750
  157    HA   ALA  21           HA       ALA  21  -7.686   4.411  -4.029
  158    HB1  ALA  21           HB1      ALA  21  -9.143   3.858  -5.959
  159    HB2  ALA  21           HB2      ALA  21 -10.267   5.144  -5.468
  160    HB3  ALA  21           HB3      ALA  21  -8.634   5.558  -6.014
  161    H    ILE  22           H        ILE  22  -7.400   6.787  -4.521
  162    HA   ILE  22           HA       ILE  22  -8.883   8.624  -2.698
  163    HB   ILE  22           HB       ILE  22  -6.557   8.265  -1.940
  164   HG12  ILE  22          HG12      ILE  22  -6.912  11.054  -3.116
  165   HG13  ILE  22          HG13      ILE  22  -7.614  10.476  -1.594
  166   HG21  ILE  22          HG21      ILE  22  -4.612   8.890  -3.250
  167   HG22  ILE  22          HG22      ILE  22  -5.537   7.731  -4.172
  168   HG23  ILE  22          HG23      ILE  22  -5.635   9.463  -4.580
  169   HD11  ILE  22          HD11      ILE  22  -5.247  10.075  -0.775
  170   HD12  ILE  22          HD12      ILE  22  -4.665  10.863  -2.265
  171   HD13  ILE  22          HD13      ILE  22  -5.643  11.776  -1.106
  172    H    ASN  23           H        ASN  23  -8.903  10.933  -3.797
  173    HA   ASN  23           HA       ASN  23  -8.826  10.666  -6.753
  174    HB2  ASN  23           HB2      ASN  23 -11.103  10.734  -6.329
  175    HB3  ASN  23           HB3      ASN  23 -10.956  11.977  -5.078
  176   HD21  ASN  23          HD22      ASN  23  -9.954  11.680  -8.610
  177   HD22  ASN  23          HD21      ASN  23 -10.712  13.193  -9.062
  178    H    ILE  24           H        ILE  24  -7.522  12.016  -7.687
  179    HA   ILE  24           HA       ILE  24  -6.988  14.656  -6.508
  180    HB   ILE  24           HB       ILE  24  -4.667  13.035  -7.566
  181   HG12  ILE  24          HG12      ILE  24  -5.413  13.400  -4.626
  182   HG13  ILE  24          HG13      ILE  24  -5.413  11.877  -5.502
  183   HG21  ILE  24          HG21      ILE  24  -4.804  15.615  -7.506
  184   HG22  ILE  24          HG22      ILE  24  -4.758  15.478  -5.752
  185   HG23  ILE  24          HG23      ILE  24  -3.386  14.888  -6.719
  186   HD11  ILE  24          HD11      ILE  24  -3.017  13.548  -4.726
  187   HD12  ILE  24          HD12      ILE  24  -3.406  11.859  -4.329
  188   HD13  ILE  24          HD13      ILE  24  -2.923  12.290  -5.980
  189    HA   PRO  25           HA       PRO  25  -8.744  14.411 -10.700
  190    HB2  PRO  25           HB2      PRO  25  -8.895  17.390 -10.213
  191    HB3  PRO  25           HB3      PRO  25 -10.105  16.314 -10.952
  192    HG2  PRO  25           HG2      PRO  25 -10.337  17.137  -8.358
  193    HG3  PRO  25           HG3      PRO  25 -10.738  15.450  -8.818
  194    HD2  PRO  25           HD2      PRO  25  -8.244  16.520  -7.515
  195    HD3  PRO  25           HD3      PRO  25  -9.124  15.006  -7.190
  196    H    LEU  26           H        LEU  26  -7.820  14.711 -12.721
  197    HA   LEU  26           HA       LEU  26  -5.184  15.633 -13.079
  198    HB2  LEU  26           HB2      LEU  26  -6.392  14.046 -14.430
  199    HB3  LEU  26           HB3      LEU  26  -7.477  15.280 -15.044
  200    HG   LEU  26           HG       LEU  26  -5.562  14.260 -16.450
  201   HD11  LEU  26          HD11      LEU  26  -6.120  17.223 -16.512
  202   HD12  LEU  26          HD12      LEU  26  -5.331  16.294 -17.806
  203   HD13  LEU  26          HD13      LEU  26  -6.981  15.903 -17.358
  204   HD21  LEU  26          HD21      LEU  26  -3.728  14.647 -14.880
  205   HD22  LEU  26          HD22      LEU  26  -3.428  15.315 -16.486
  206   HD23  LEU  26          HD23      LEU  26  -3.861  16.399 -15.162
  207    H    LYS  27           H        LYS  27  -8.143  17.469 -12.873
  208    HA   LYS  27           HA       LYS  27  -7.350  19.944 -13.991
  209    HB2  LYS  27           HB2      LYS  27  -9.645  19.231 -13.230
  210    HB3  LYS  27           HB3      LYS  27  -9.110  19.421 -11.550
  211    HG2  LYS  27           HG2      LYS  27  -8.732  21.826 -11.924
  212    HG3  LYS  27           HG3      LYS  27  -9.144  21.638 -13.643
  213    HD2  LYS  27           HD2      LYS  27 -11.451  20.945 -13.006
  214    HD3  LYS  27           HD3      LYS  27 -11.011  21.056 -11.298
  215    HE2  LYS  27           HE2      LYS  27 -12.232  23.038 -11.856
  216    HE3  LYS  27           HE3      LYS  27 -10.551  23.490 -11.570
  217    HZ1  LYS  27           HZ1      LYS  27 -11.468  24.572 -13.528
  218    HZ2  LYS  27           HZ2      LYS  27 -10.245  23.600 -13.981
  219    HZ3  LYS  27           HZ3      LYS  27 -11.798  23.149 -14.242
  220    H    GLU  28           H        GLU  28  -6.431  18.453 -10.870
  221    HA   GLU  28           HA       GLU  28  -4.900  20.909 -10.146
  222    HB2  GLU  28           HB2      GLU  28  -5.668  20.538  -7.791
  223    HB3  GLU  28           HB3      GLU  28  -6.910  21.096  -8.905
  224    HG2  GLU  28           HG2      GLU  28  -8.079  19.050  -8.871
  225    HG3  GLU  28           HG3      GLU  28  -6.650  18.137  -8.342
  226    H    VAL  29           H        VAL  29  -4.655  17.612 -10.722
  227    HA   VAL  29           HA       VAL  29  -3.367  16.547  -8.623
  228    HB   VAL  29           HB       VAL  29  -4.175  15.335 -10.574
  229   HG11  VAL  29          HG11      VAL  29  -2.880  15.079 -12.605
  230   HG12  VAL  29          HG12      VAL  29  -3.260  16.794 -12.379
  231   HG13  VAL  29          HG13      VAL  29  -1.634  16.188 -12.004
  232   HG21  VAL  29          HG21      VAL  29  -1.276  14.614 -10.098
  233   HG22  VAL  29          HG22      VAL  29  -2.628  14.192  -9.014
  234   HG23  VAL  29          HG23      VAL  29  -2.580  13.553 -10.663
  235    H    LYS  30           H        LYS  30  -1.668  18.617 -10.977
  236    HA   LYS  30           HA       LYS  30   0.964  17.953 -10.198
  237    HB2  LYS  30           HB2      LYS  30  -0.144  20.635 -11.143
  238    HB3  LYS  30           HB3      LYS  30   1.571  20.227 -11.030
  239    HG2  LYS  30           HG2      LYS  30   1.248  18.376 -12.662
  240    HG3  LYS  30           HG3      LYS  30  -0.459  18.838 -12.830
  241    HD2  LYS  30           HD2      LYS  30   0.224  21.092 -13.609
  242    HD3  LYS  30           HD3      LYS  30   1.932  20.633 -13.443
  243    HE2  LYS  30           HE2      LYS  30   1.609  18.825 -15.112
  244    HE3  LYS  30           HE3      LYS  30  -0.096  19.273 -15.275
  245    HZ1  LYS  30           HZ1      LYS  30   0.622  21.437 -16.113
  246    HZ2  LYS  30           HZ2      LYS  30   2.197  21.024 -15.965
  247    HZ3  LYS  30           HZ3      LYS  30   1.245  20.248 -17.034
  248    H    GLU  31           H        GLU  31  -1.435  19.874  -8.456
  249    HA   GLU  31           HA       GLU  31   0.614  21.138  -6.755
  250    HB2  GLU  31           HB2      GLU  31  -2.429  21.346  -6.787
  251    HB3  GLU  31           HB3      GLU  31  -1.341  22.301  -5.779
  252    HG2  GLU  31           HG2      GLU  31  -0.256  23.216  -7.841
  253    HG3  GLU  31           HG3      GLU  31  -1.434  22.348  -8.827
  254    H    ARG  32           H        ARG  32  -1.043  18.136  -6.728
  255    HA   ARG  32           HA       ARG  32  -0.854  17.989  -3.748
  256    HB2  ARG  32           HB2      ARG  32  -3.096  18.719  -4.528
  257    HB3  ARG  32           HB3      ARG  32  -3.286  17.207  -5.406
  258    HG2  ARG  32           HG2      ARG  32  -3.445  15.937  -3.376
  259    HG3  ARG  32           HG3      ARG  32  -2.681  17.226  -2.433
  260    HD2  ARG  32           HD2      ARG  32  -4.979  17.296  -1.840
  261    HD3  ARG  32           HD3      ARG  32  -4.676  18.693  -2.868
  262    HE   ARG  32           HE       ARG  32  -6.084  17.870  -4.494
  263   HH11  ARG  32          HH21      ARG  32  -5.622  15.261  -2.086
  264   HH12  ARG  32          HH22      ARG  32  -6.980  14.363  -2.672
  265   HH21  ARG  32          HH11      ARG  32  -7.780  16.785  -5.148
  266   HH22  ARG  32          HH12      ARG  32  -8.196  15.171  -4.533
  267    H    ILE  33           H        ILE  33  -0.366  16.280  -6.775
  268    HA   ILE  33           HA       ILE  33  -0.447  13.670  -5.753
  269    HB   ILE  33           HB       ILE  33  -0.307  14.146  -8.106
  270   HG12  ILE  33          HG12      ILE  33   1.389  12.483  -8.808
  271   HG13  ILE  33          HG13      ILE  33   2.089  12.497  -7.203
  272   HG21  ILE  33          HG21      ILE  33   1.553  14.983  -9.314
  273   HG22  ILE  33          HG22      ILE  33   1.364  16.097  -7.977
  274   HG23  ILE  33          HG23      ILE  33   2.637  14.864  -7.911
  275   HD11  ILE  33          HD11      ILE  33  -0.775  11.681  -7.861
  276   HD12  ILE  33          HD12      ILE  33   0.583  10.564  -7.617
  277   HD13  ILE  33          HD13      ILE  33   0.012  11.552  -6.266
  278    H    ALA  34           H        ALA  34   2.211  16.080  -5.557
  279    HA   ALA  34           HA       ALA  34   4.137  14.342  -4.422
  280    HB1  ALA  34           HB1      ALA  34   4.671  16.582  -5.315
  281    HB2  ALA  34           HB2      ALA  34   3.753  17.341  -3.988
  282    HB3  ALA  34           HB3      ALA  34   5.225  16.412  -3.639
  283    H    THR  35           H        THR  35   1.408  16.106  -2.886
  284    HA   THR  35           HA       THR  35   2.225  15.634  -0.201
  285    HB   THR  35           HB       THR  35  -0.635  15.971  -1.177
  286    HG1  THR  35           HG1      THR  35  -0.207  18.210  -1.214
  287   HG21  THR  35          HG21      THR  35  -0.290  15.686   1.262
  288   HG22  THR  35          HG22      THR  35   0.856  17.045   1.264
  289   HG23  THR  35          HG23      THR  35  -0.861  17.316   0.882
  290    H    ALA  36           H        ALA  36   0.093  13.840  -2.495
  291    HA   ALA  36           HA       ALA  36  -0.669  11.855  -0.535
  292    HB1  ALA  36           HB1      ALA  36  -2.110  12.459  -2.418
  293    HB2  ALA  36           HB2      ALA  36  -0.889  11.877  -3.577
  294    HB3  ALA  36           HB3      ALA  36  -1.700  10.734  -2.487
  295    H    VAL  37           H        VAL  37   1.792  11.981  -3.135
  296    HA   VAL  37           HA       VAL  37   2.970   9.430  -2.178
  297    HB   VAL  37           HB       VAL  37   2.558  10.088  -5.121
  298   HG11  VAL  37          HG11      VAL  37   3.293   7.498  -3.668
  299   HG12  VAL  37          HG12      VAL  37   3.178   7.729  -5.424
  300   HG13  VAL  37          HG13      VAL  37   4.445   8.550  -4.516
  301   HG21  VAL  37          HG21      VAL  37   0.847   8.269  -5.134
  302   HG22  VAL  37          HG22      VAL  37   0.844   8.302  -3.357
  303   HG23  VAL  37          HG23      VAL  37   0.320   9.722  -4.289
  304    HA   PRO  38           HA       PRO  38   6.022  12.881  -2.632
  305    HB2  PRO  38           HB2      PRO  38   7.473  12.433  -0.338
  306    HB3  PRO  38           HB3      PRO  38   5.963  13.389  -0.385
  307    HG2  PRO  38           HG2      PRO  38   6.306  10.481   0.392
  308    HG3  PRO  38           HG3      PRO  38   5.370  11.753   1.238
  309    HD2  PRO  38           HD2      PRO  38   4.191   9.959  -0.445
  310    HD3  PRO  38           HD3      PRO  38   3.627  11.654  -0.345
  311    H    ASP  39           H        ASP  39   6.430   9.407  -1.910
  312    HA   ASP  39           HA       ASP  39   9.222   9.382  -2.812
  313    HB2  ASP  39           HB2      ASP  39   8.605   7.919  -0.987
  314    HB3  ASP  39           HB3      ASP  39   7.350   7.149  -1.967
  315    H    LYS  40           H        LYS  40   9.390   9.821  -4.953
  316    HA   LYS  40           HA       LYS  40   7.511   9.084  -6.936
  317    HB2  LYS  40           HB2      LYS  40  10.459   9.823  -7.183
  318    HB3  LYS  40           HB3      LYS  40   9.341   9.689  -8.540
  319    HG2  LYS  40           HG2      LYS  40   7.873  11.425  -7.468
  320    HG3  LYS  40           HG3      LYS  40   9.106  11.647  -6.217
  321    HD2  LYS  40           HD2      LYS  40  10.748  12.287  -7.984
  322    HD3  LYS  40           HD3      LYS  40   9.467  12.115  -9.209
  323    HE2  LYS  40           HE2      LYS  40   8.110  13.829  -8.033
  324    HE3  LYS  40           HE3      LYS  40   9.373  13.998  -6.808
  325    HZ1  LYS  40           HZ1      LYS  40  10.868  14.776  -8.572
  326    HZ2  LYS  40           HZ2      LYS  40   9.665  14.653  -9.687
  327    HZ3  LYS  40           HZ3      LYS  40   9.550  15.728  -8.462
  328    H    ASN  41           H        ASN  41   9.802   7.027  -5.355
  329    HA   ASN  41           HA       ASN  41  10.117   5.163  -7.592
  330    HB2  ASN  41           HB2      ASN  41  11.838   5.414  -5.815
  331    HB3  ASN  41           HB3      ASN  41  10.673   4.851  -4.617
  332   HD21  ASN  41          HD22      ASN  41  10.644   2.652  -4.186
  333   HD22  ASN  41          HD21      ASN  41  11.361   1.444  -5.217
  334    H    ASP  42           H        ASP  42   7.602   5.808  -5.203
  335    HA   ASP  42           HA       ASP  42   6.781   3.022  -4.963
  336    HB2  ASP  42           HB2      ASP  42   6.469   4.822  -3.191
  337    HB3  ASP  42           HB3      ASP  42   5.169   5.475  -4.200
  338    H    THR  43           H        THR  43   4.850   2.073  -5.847
  339    HA   THR  43           HA       THR  43   4.379   2.842  -8.561
  340    HB   THR  43           HB       THR  43   2.853   0.843  -6.857
  341    HG1  THR  43           HG1      THR  43   5.334   0.542  -8.212
  342   HG21  THR  43          HG21      THR  43   3.418   0.922  -9.851
  343   HG22  THR  43          HG22      THR  43   2.676  -0.442  -8.982
  344   HG23  THR  43          HG23      THR  43   1.841   1.112  -9.056
  345    H    VAL  44           H        VAL  44   2.477   3.623  -9.564
  346    HA   VAL  44           HA       VAL  44   0.230   4.465  -7.826
  347    HB   VAL  44           HB       VAL  44   1.504   6.260  -9.926
  348   HG11  VAL  44          HG11      VAL  44  -0.001   7.989  -9.000
  349   HG12  VAL  44          HG12      VAL  44  -0.921   6.627  -9.632
  350   HG13  VAL  44          HG13      VAL  44  -0.692   6.789  -7.880
  351   HG21  VAL  44          HG21      VAL  44   3.036   6.240  -8.023
  352   HG22  VAL  44          HG22      VAL  44   2.153   7.763  -8.036
  353   HG23  VAL  44          HG23      VAL  44   1.685   6.482  -6.894
  354    H    LYS  45           H        LYS  45  -1.741   4.216  -8.865
  355    HA   LYS  45           HA       LYS  45  -1.724   3.243 -11.690
  356    HB2  LYS  45           HB2      LYS  45  -3.120   2.092  -9.237
  357    HB3  LYS  45           HB3      LYS  45  -3.657   1.757 -10.890
  358    HG2  LYS  45           HG2      LYS  45  -1.491   0.810 -11.486
  359    HG3  LYS  45           HG3      LYS  45  -0.814   1.237  -9.906
  360    HD2  LYS  45           HD2      LYS  45  -2.316  -0.310  -8.772
  361    HD3  LYS  45           HD3      LYS  45  -3.109  -0.721 -10.315
  362    HE2  LYS  45           HE2      LYS  45  -1.061  -1.663 -11.208
  363    HE3  LYS  45           HE3      LYS  45  -0.116  -1.060  -9.840
  364    HZ1  LYS  45           HZ1      LYS  45  -2.233  -3.110  -9.577
  365    HZ2  LYS  45           HZ2      LYS  45  -0.635  -3.428  -9.670
  366    HZ3  LYS  45           HZ3      LYS  45  -1.201  -2.582  -8.394
  367    H    VAL  46           H        VAL  46  -2.929   4.588 -12.907
  368    HA   VAL  46           HA       VAL  46  -4.839   6.377 -11.472
  369    HB   VAL  46           HB       VAL  46  -4.376   8.049 -13.208
  370   HG11  VAL  46          HG11      VAL  46  -2.242   8.793 -12.304
  371   HG12  VAL  46          HG12      VAL  46  -3.220   8.083 -11.012
  372   HG13  VAL  46          HG13      VAL  46  -1.873   7.160 -11.718
  373   HG21  VAL  46          HG21      VAL  46  -2.048   6.270 -14.069
  374   HG22  VAL  46          HG22      VAL  46  -3.493   6.635 -15.043
  375   HG23  VAL  46          HG23      VAL  46  -2.373   7.925 -14.605
  376    H    TYR  47           H        TYR  47  -6.866   6.693 -12.252
  377    HA   TYR  47           HA       TYR  47  -7.630   5.609 -14.848
  378    HB2  TYR  47           HB2      TYR  47  -9.349   4.190 -14.078
  379    HB3  TYR  47           HB3      TYR  47  -7.914   3.699 -13.214
  380    HD1  TYR  47           HD2      TYR  47  -7.676   4.305 -10.752
  381    HD2  TYR  47           HD1      TYR  47 -11.307   5.041 -12.971
  382    HE1  TYR  47           HE2      TYR  47  -8.935   4.492  -8.628
  383    HE2  TYR  47           HE1      TYR  47 -12.564   5.249 -10.852
  384    HH   TYR  47           HH       TYR  47 -11.021   4.812  -7.648
  385    H    CYS  48           H        CYS  48  -9.940   6.351 -15.324
  386    HA   CYS  48           HA       CYS  48 -11.011   8.351 -13.541
  387    HB2  CYS  48           HB2      CYS  48 -11.020  10.227 -15.091
  388    HB3  CYS  48           HB3      CYS  48  -9.372   9.655 -14.859
  389    HG   CYS  48           HG       CYS  48  -9.251   8.210 -17.003
  390    H    ASN  49           H        ASN  49 -12.664   9.324 -16.008
  391    HA   ASN  49           HA       ASN  49 -14.817   7.457 -15.581
  392    HB2  ASN  49           HB2      ASN  49 -14.956   9.951 -16.256
  393    HB3  ASN  49           HB3      ASN  49 -14.581   9.434 -17.896
  394   HD21  ASN  49          HD22      ASN  49 -16.138   7.037 -18.126
  395   HD22  ASN  49          HD21      ASN  49 -17.818   7.499 -17.985
  396    H    ALA  50           H        ALA  50 -12.638   8.038 -18.379
  397    HA   ALA  50           HA       ALA  50 -13.096   5.243 -19.284
  398    HB1  ALA  50           HB1      ALA  50 -14.785   6.653 -20.397
  399    HB2  ALA  50           HB2      ALA  50 -13.501   7.720 -21.014
  400    HB3  ALA  50           HB3      ALA  50 -13.601   6.033 -21.559
  401    H    GLY  51           H        GLY  51 -10.858   8.027 -19.175
  402    HA2  GLY  51           HA2      GLY  51  -8.621   6.573 -19.242
  403    HA3  GLY  51           HA3      GLY  51  -8.956   6.650 -20.968
  404    H    ARG  52           H        ARG  52  -9.970   9.523 -20.839
  405    HA   ARG  52           HA       ARG  52  -7.478  10.714 -21.539
  406    HB2  ARG  52           HB2      ARG  52 -10.091  12.081 -20.819
  407    HB3  ARG  52           HB3      ARG  52  -8.668  12.872 -21.523
  408    HG2  ARG  52           HG2      ARG  52  -8.817  11.400 -23.511
  409    HG3  ARG  52           HG3      ARG  52 -10.260  10.620 -22.832
  410    HD2  ARG  52           HD2      ARG  52 -11.440  12.799 -22.832
  411    HD3  ARG  52           HD3      ARG  52  -9.999  13.578 -23.520
  412    HE   ARG  52           HE       ARG  52 -10.701  11.409 -25.190
  413   HH11  ARG  52          HH11      ARG  52 -12.029  14.570 -24.264
  414   HH12  ARG  52          HH12      ARG  52 -12.879  14.807 -25.745
  415   HH21  ARG  52          HH21      ARG  52 -11.834  11.722 -27.165
  416   HH22  ARG  52          HH22      ARG  52 -12.762  13.148 -27.430
  417    H    GLN  53           H        GLN  53  -9.238  11.431 -18.502
  418    HA   GLN  53           HA       GLN  53  -7.095  13.089 -17.624
  419    HB2  GLN  53           HB2      GLN  53  -9.016  11.549 -15.847
  420    HB3  GLN  53           HB3      GLN  53  -7.932  12.807 -15.350
  421    HG2  GLN  53           HG2      GLN  53  -9.909  13.976 -15.463
  422    HG3  GLN  53           HG3      GLN  53  -9.237  14.319 -17.057
  423   HE21  GLN  53          HE22      GLN  53 -10.331  13.418 -18.914
  424   HE22  GLN  53          HE21      GLN  53 -11.840  12.540 -18.772
  425    H    SER  54           H        SER  54  -7.547   9.559 -17.484
  426    HA   SER  54           HA       SER  54  -5.470   8.967 -15.633
  427    HB2  SER  54           HB2      SER  54  -6.066   7.094 -17.893
  428    HB3  SER  54           HB3      SER  54  -5.785   6.786 -16.173
  429    HG   SER  54           HG       SER  54  -7.979   6.486 -16.951
  430    H    GLY  55           H        GLY  55  -5.444   8.970 -19.251
  431    HA2  GLY  55           HA2      GLY  55  -2.671   8.270 -19.468
  432    HA3  GLY  55           HA3      GLY  55  -3.697   8.975 -20.739
  433    H    GLN  56           H        GLN  56  -4.463  11.368 -19.562
  434    HA   GLN  56           HA       GLN  56  -2.333  13.149 -19.991
  435    HB2  GLN  56           HB2      GLN  56  -5.002  13.319 -18.560
  436    HB3  GLN  56           HB3      GLN  56  -3.898  14.710 -18.649
  437    HG2  GLN  56           HG2      GLN  56  -3.941  14.668 -21.081
  438    HG3  GLN  56           HG3      GLN  56  -4.962  13.235 -21.091
  439   HE21  GLN  56          HE22      GLN  56  -5.051  16.603 -21.323
  440   HE22  GLN  56          HE21      GLN  56  -6.721  16.854 -20.884
  441    H    ALA  57           H        ALA  57  -3.627  11.843 -16.853
  442    HA   ALA  57           HA       ALA  57  -1.727  13.161 -15.206
  443    HB1  ALA  57           HB1      ALA  57  -3.241  10.563 -14.713
  444    HB2  ALA  57           HB2      ALA  57  -2.386  11.525 -13.491
  445    HB3  ALA  57           HB3      ALA  57  -3.800  12.205 -14.315
  446    H    LYS  58           H        LYS  58  -1.682   9.813 -16.625
  447    HA   LYS  58           HA       LYS  58   0.740   9.046 -15.401
  448    HB2  LYS  58           HB2      LYS  58  -0.847   7.519 -16.521
  449    HB3  LYS  58           HB3      LYS  58  -0.375   8.137 -18.099
  450    HG2  LYS  58           HG2      LYS  58   1.732   6.999 -16.231
  451    HG3  LYS  58           HG3      LYS  58   0.641   5.901 -17.078
  452    HD2  LYS  58           HD2      LYS  58   1.308   6.813 -19.248
  453    HD3  LYS  58           HD3      LYS  58   2.438   7.930 -18.484
  454    HE2  LYS  58           HE2      LYS  58   2.588   4.886 -18.430
  455    HE3  LYS  58           HE3      LYS  58   3.559   5.967 -19.432
  456    HZ1  LYS  58           HZ1      LYS  58   4.858   5.367 -17.589
  457    HZ2  LYS  58           HZ2      LYS  58   4.436   6.920 -17.293
  458    HZ3  LYS  58           HZ3      LYS  58   3.687   5.666 -16.502
  459    H    GLU  59           H        GLU  59   0.228  10.784 -18.517
  460    HA   GLU  59           HA       GLU  59   2.971  10.831 -19.246
  461    HB2  GLU  59           HB2      GLU  59   0.614  12.621 -19.942
  462    HB3  GLU  59           HB3      GLU  59   2.241  12.910 -20.572
  463    HG2  GLU  59           HG2      GLU  59   2.311  10.638 -21.533
  464    HG3  GLU  59           HG3      GLU  59   0.689  10.312 -20.939
  465    H    ILE  60           H        ILE  60   1.068  13.452 -17.436
  466    HA   ILE  60           HA       ILE  60   3.440  15.003 -17.227
  467    HB   ILE  60           HB       ILE  60   2.227  16.379 -15.677
  468   HG12  ILE  60          HG12      ILE  60   0.153  14.185 -15.648
  469   HG13  ILE  60          HG13      ILE  60   1.098  14.769 -14.271
  470   HG21  ILE  60          HG21      ILE  60   0.396  15.540 -17.958
  471   HG22  ILE  60          HG22      ILE  60   0.517  17.140 -17.204
  472   HG23  ILE  60          HG23      ILE  60   1.865  16.516 -18.152
  473   HD11  ILE  60          HD11      ILE  60  -1.169  15.531 -14.165
  474   HD12  ILE  60          HD12      ILE  60  -0.081  16.916 -14.378
  475   HD13  ILE  60          HD13      ILE  60  -1.059  16.300 -15.751
  476    H    LEU  61           H        LEU  61   2.104  12.452 -15.048
  477    HA   LEU  61           HA       LEU  61   3.974  13.119 -12.947
  478    HB2  LEU  61           HB2      LEU  61   2.534  10.496 -13.486
  479    HB3  LEU  61           HB3      LEU  61   3.480  10.890 -12.047
  480    HG   LEU  61           HG       LEU  61   0.835  12.121 -12.883
  481   HD11  LEU  61          HD11      LEU  61   0.701   9.977 -11.710
  482   HD12  LEU  61          HD12      LEU  61   1.714  10.610 -10.397
  483   HD13  LEU  61          HD13      LEU  61   0.096  11.286 -10.696
  484   HD21  LEU  61          HD21      LEU  61   2.667  13.079 -10.673
  485   HD22  LEU  61          HD22      LEU  61   2.135  13.994 -12.103
  486   HD23  LEU  61          HD23      LEU  61   0.950  13.529 -10.896
  487    H    SER  62           H        SER  62   4.155  11.002 -15.816
  488    HA   SER  62           HA       SER  62   6.698   9.860 -15.165
  489    HB2  SER  62           HB2      SER  62   5.539  10.422 -17.917
  490    HB3  SER  62           HB3      SER  62   6.851   9.303 -17.519
  491    HG   SER  62           HG       SER  62   4.112   9.164 -16.761
  492    H    GLU  63           H        GLU  63   5.753  12.878 -16.913
  493    HA   GLU  63           HA       GLU  63   8.411  13.726 -17.480
  494    HB2  GLU  63           HB2      GLU  63   6.327  14.550 -18.567
  495    HB3  GLU  63           HB3      GLU  63   5.900  15.411 -17.083
  496    HG2  GLU  63           HG2      GLU  63   7.935  16.791 -17.272
  497    HG3  GLU  63           HG3      GLU  63   8.449  15.873 -18.690
  498    H    MET  64           H        MET  64   6.299  14.283 -14.639
  499    HA   MET  64           HA       MET  64   8.106  16.014 -13.227
  500    HB2  MET  64           HB2      MET  64   5.742  14.312 -12.357
  501    HB3  MET  64           HB3      MET  64   6.637  15.344 -11.243
  502    HG2  MET  64           HG2      MET  64   6.067  17.337 -12.444
  503    HG3  MET  64           HG3      MET  64   5.407  16.428 -13.792
  504    HE1  MET  64           HE1      MET  64   3.323  16.975  -9.683
  505    HE2  MET  64           HE2      MET  64   4.760  15.942  -9.833
  506    HE3  MET  64           HE3      MET  64   4.881  17.691 -10.143
  507    H    GLY  65           H        GLY  65   8.462  12.697 -13.942
  508    HA2  GLY  65           HA2      GLY  65  10.543  11.733 -13.533
  509    HA3  GLY  65           HA3      GLY  65  10.714  12.629 -12.023
  510    H    TYR  66           H        TYR  66   7.572  11.190 -12.233
  511    HA   TYR  66           HA       TYR  66   8.296   9.049 -10.334
  512    HB2  TYR  66           HB2      TYR  66   5.694   9.659 -11.794
  513    HB3  TYR  66           HB3      TYR  66   5.958   8.350 -10.650
  514    HD1  TYR  66           HD1      TYR  66   5.985  12.115 -10.864
  515    HD2  TYR  66           HD2      TYR  66   5.558   8.619  -8.369
  516    HE1  TYR  66           HE1      TYR  66   5.323  13.556  -8.962
  517    HE2  TYR  66           HE2      TYR  66   4.911  10.051  -6.466
  518    HH   TYR  66           HH       TYR  66   4.643  12.203  -5.697
  519    H    THR  67           H        THR  67   8.607   6.900 -10.965
  520    HA   THR  67           HA       THR  67   8.740   6.403 -13.901
  521    HB   THR  67           HB       THR  67  10.666   4.838 -13.053
  522    HG1  THR  67           HG1      THR  67  10.605   4.960 -10.902
  523   HG21  THR  67          HG21      THR  67  12.258   6.704 -13.183
  524   HG22  THR  67          HG22      THR  67  11.001   6.866 -14.418
  525   HG23  THR  67          HG23      THR  67  10.940   7.875 -12.958
  526    H    HIS  68           H        HIS  68   6.650   5.649 -11.600
  527    HA   HIS  68           HA       HIS  68   6.252   2.843 -12.485
  528    HB2  HIS  68           HB2      HIS  68   6.223   3.763  -9.582
  529    HB3  HIS  68           HB3      HIS  68   6.015   2.111 -10.177
  530    HD1  HIS  68           HD1      HIS  68   8.354   0.893 -11.065
  531    HD2  HIS  68           HD2      HIS  68   8.665   4.771  -9.462
  532    HE1  HIS  68           HE1      HIS  68  10.841   1.346 -10.768
  533    H    VAL  69           H        VAL  69   4.871   5.112 -13.415
  534    HA   VAL  69           HA       VAL  69   2.231   4.970 -12.033
  535    HB   VAL  69           HB       VAL  69   3.148   7.072 -14.029
  536   HG11  VAL  69          HG11      VAL  69   0.818   7.045 -12.055
  537   HG12  VAL  69          HG12      VAL  69   1.224   8.337 -13.203
  538   HG13  VAL  69          HG13      VAL  69   0.683   6.772 -13.803
  539   HG21  VAL  69          HG21      VAL  69   3.270   7.154 -10.989
  540   HG22  VAL  69          HG22      VAL  69   4.591   7.367 -12.158
  541   HG23  VAL  69          HG23      VAL  69   3.330   8.591 -12.027
  542    H    GLU  70           H        GLU  70   0.625   3.900 -13.167
  543    HA   GLU  70           HA       GLU  70   0.898   3.648 -16.100
  544    HB2  GLU  70           HB2      GLU  70   1.921   1.624 -15.090
  545    HB3  GLU  70           HB3      GLU  70   0.446   1.327 -14.170
  546    HG2  GLU  70           HG2      GLU  70   0.598  -0.137 -16.124
  547    HG3  GLU  70           HG3      GLU  70  -0.806   0.908 -16.235
  548    H    ASN  71           H        ASN  71  -1.099   3.355 -17.154
  549    HA   ASN  71           HA       ASN  71  -3.435   4.344 -15.656
  550    HB2  ASN  71           HB2      ASN  71  -3.213   5.280 -17.845
  551    HB3  ASN  71           HB3      ASN  71  -2.948   3.688 -18.578
  552   HD21  ASN  71          HD22      ASN  71  -5.496   4.744 -16.166
  553   HD22  ASN  71          HD21      ASN  71  -6.825   4.335 -17.227
  554    H    ALA  72           H        ALA  72  -4.641   2.917 -14.517
  555    HA   ALA  72           HA       ALA  72  -4.531   0.050 -14.957
  556    HB1  ALA  72           HB1      ALA  72  -6.420   1.759 -13.272
  557    HB2  ALA  72           HB2      ALA  72  -6.278  -0.010 -13.213
  558    HB3  ALA  72           HB3      ALA  72  -4.906   0.999 -12.723
  559    H    GLY  73           H        GLY  73  -6.818   2.667 -15.853
  560    HA2  GLY  73           HA2      GLY  73  -7.906   1.746 -18.147
  561    HA3  GLY  73           HA3      GLY  73  -8.815   0.827 -16.930
  562    H    GLY  74           H        GLY  74 -10.795   1.844 -16.994
  563    HA2  GLY  74           HA2      GLY  74 -10.943   4.400 -15.634
  564    HA3  GLY  74           HA3      GLY  74 -11.675   4.392 -17.248
  565    H    LEU  75           H        LEU  75 -13.294   4.820 -15.108
  566    HA   LEU  75           HA       LEU  75 -14.443   2.690 -13.739
  567    HB2  LEU  75           HB2      LEU  75 -14.767   5.319 -13.663
  568    HB3  LEU  75           HB3      LEU  75 -16.055   5.044 -14.813
  569    HG   LEU  75           HG       LEU  75 -16.919   5.312 -12.582
  570   HD11  LEU  75          HD11      LEU  75 -18.341   3.448 -12.286
  571   HD12  LEU  75          HD12      LEU  75 -18.101   3.655 -14.027
  572   HD13  LEU  75          HD13      LEU  75 -17.250   2.360 -13.151
  573   HD21  LEU  75          HD21      LEU  75 -15.218   2.946 -11.704
  574   HD22  LEU  75          HD22      LEU  75 -14.939   4.651 -11.315
  575   HD23  LEU  75          HD23      LEU  75 -16.399   3.838 -10.718
  576    H    LYS  76           H        LYS  76 -15.094   3.868 -17.023
  577    HA   LYS  76           HA       LYS  76 -17.306   2.347 -17.756
  578    HB2  LYS  76           HB2      LYS  76 -16.197   4.210 -18.995
  579    HB3  LYS  76           HB3      LYS  76 -14.885   3.115 -19.447
  580    HG2  LYS  76           HG2      LYS  76 -16.455   1.744 -20.754
  581    HG3  LYS  76           HG3      LYS  76 -17.819   2.740 -20.200
  582    HD2  LYS  76           HD2      LYS  76 -16.790   4.724 -21.296
  583    HD3  LYS  76           HD3      LYS  76 -15.458   3.722 -21.882
  584    HE2  LYS  76           HE2      LYS  76 -18.411   3.319 -22.564
  585    HE3  LYS  76           HE3      LYS  76 -17.256   4.184 -23.578
  586    HZ1  LYS  76           HZ1      LYS  76 -17.517   1.924 -24.324
  587    HZ2  LYS  76           HZ2      LYS  76 -15.991   2.125 -23.798
  588    HZ3  LYS  76           HZ3      LYS  76 -17.079   1.310 -22.883
  589    H    ASP  77           H        ASP  77 -14.070   1.091 -17.115
  590    HA   ASP  77           HA       ASP  77 -14.788  -1.487 -18.469
  591    HB2  ASP  77           HB2      ASP  77 -13.246  -0.178 -19.834
  592    HB3  ASP  77           HB3      ASP  77 -12.150   0.011 -18.463
  593    H    ILE  78           H        ILE  78 -13.080   0.035 -15.694
  594    HA   ILE  78           HA       ILE  78 -11.806  -2.353 -14.798
  595    HB   ILE  78           HB       ILE  78 -12.590   0.211 -13.355
  596   HG12  ILE  78          HG12      ILE  78  -9.825  -0.769 -14.215
  597   HG13  ILE  78          HG13      ILE  78 -10.828   0.227 -15.256
  598   HG21  ILE  78          HG21      ILE  78 -12.403  -1.487 -11.634
  599   HG22  ILE  78          HG22      ILE  78 -10.902  -2.137 -12.355
  600   HG23  ILE  78          HG23      ILE  78 -10.923  -0.550 -11.586
  601   HD11  ILE  78          HD11      ILE  78 -10.889   2.012 -13.519
  602   HD12  ILE  78          HD12      ILE  78  -9.756   1.059 -12.532
  603   HD13  ILE  78          HD13      ILE  78  -9.257   1.646 -14.119
  604    H    ALA  79           H        ALA  79 -12.629  -4.131 -13.857
  605    HA   ALA  79           HA       ALA  79 -15.498  -4.259 -13.307
  606    HB1  ALA  79           HB1      ALA  79 -13.350  -6.423 -13.309
  607    HB2  ALA  79           HB2      ALA  79 -15.107  -6.680 -13.282
  608    HB3  ALA  79           HB3      ALA  79 -14.348  -5.948 -14.706
  609    H    MET  80           H        MET  80 -12.865  -3.502 -11.343
  610    HA   MET  80           HA       MET  80 -13.273  -5.088  -9.031
  611    HB2  MET  80           HB2      MET  80 -12.146  -2.285  -9.391
  612    HB3  MET  80           HB3      MET  80 -12.086  -3.169  -7.864
  613    HG2  MET  80           HG2      MET  80 -10.721  -4.917  -8.831
  614    HG3  MET  80           HG3      MET  80 -10.917  -4.252 -10.450
  615    HE1  MET  80           HE1      MET  80  -9.176  -3.837  -6.949
  616    HE2  MET  80           HE2      MET  80  -8.288  -2.310  -7.150
  617    HE3  MET  80           HE3      MET  80 -10.059  -2.293  -7.031
  618    HA   PRO  81           HA       PRO  81 -16.966  -3.522  -7.110
  619    HB2  PRO  81           HB2      PRO  81 -15.318  -3.206  -4.603
  620    HB3  PRO  81           HB3      PRO  81 -16.929  -3.965  -4.795
  621    HG2  PRO  81           HG2      PRO  81 -14.710  -5.502  -4.588
  622    HG3  PRO  81           HG3      PRO  81 -15.961  -5.903  -5.811
  623    HD2  PRO  81           HD2      PRO  81 -13.339  -4.449  -6.211
  624    HD3  PRO  81           HD3      PRO  81 -14.094  -5.733  -7.204
  625    H    LYS  82           H        LYS  82 -17.998  -1.598  -6.275
  626    HA   LYS  82           HA       LYS  82 -16.325   0.860  -6.461
  627    HB2  LYS  82           HB2      LYS  82 -19.169   0.606  -7.494
  628    HB3  LYS  82           HB3      LYS  82 -18.044   1.934  -7.723
  629    HG2  LYS  82           HG2      LYS  82 -17.868  -0.806  -9.021
  630    HG3  LYS  82           HG3      LYS  82 -18.452   0.683  -9.765
  631    HD2  LYS  82           HD2      LYS  82 -16.152   1.695  -9.339
  632    HD3  LYS  82           HD3      LYS  82 -15.600   0.075  -8.904
  633    HE2  LYS  82           HE2      LYS  82 -16.741   0.985 -11.587
  634    HE3  LYS  82           HE3      LYS  82 -15.066   0.547 -11.239
  635    HZ1  LYS  82           HZ1      LYS  82 -17.390  -1.268 -11.371
  636    HZ2  LYS  82           HZ2      LYS  82 -16.012  -1.302 -12.267
  637    HZ3  LYS  82           HZ3      LYS  82 -15.968  -1.717 -10.679
  638    H    VAL  83           H        VAL  83 -17.204   2.725  -5.385
  639    HA   VAL  83           HA       VAL  83 -19.638   2.486  -3.793
  640    HB   VAL  83           HB       VAL  83 -18.592   3.415  -1.752
  641   HG11  VAL  83          HG11      VAL  83 -17.690   1.389  -0.821
  642   HG12  VAL  83          HG12      VAL  83 -19.035   0.982  -1.896
  643   HG13  VAL  83          HG13      VAL  83 -17.359   0.723  -2.428
  644   HG21  VAL  83          HG21      VAL  83 -15.929   2.808  -3.100
  645   HG22  VAL  83          HG22      VAL  83 -16.565   4.395  -2.621
  646   HG23  VAL  83          HG23      VAL  83 -16.144   3.211  -1.381
  647    H    LYS  84           H        LYS  84 -20.191   4.780  -2.933
  648    HA   LYS  84           HA       LYS  84 -19.129   6.923  -4.686
  649    HB2  LYS  84           HB2      LYS  84 -21.387   7.594  -5.320
  650    HB3  LYS  84           HB3      LYS  84 -21.032   5.966  -5.899
  651    HG2  LYS  84           HG2      LYS  84 -22.376   4.981  -4.104
  652    HG3  LYS  84           HG3      LYS  84 -22.714   6.598  -3.444
  653    HD2  LYS  84           HD2      LYS  84 -23.834   7.227  -5.565
  654    HD3  LYS  84           HD3      LYS  84 -23.491   5.612  -6.225
  655    HE2  LYS  84           HE2      LYS  84 -24.815   4.585  -4.387
  656    HE3  LYS  84           HE3      LYS  84 -25.155   6.190  -3.730
  657    HZ1  LYS  84           HZ1      LYS  84 -26.342   6.706  -5.784
  658    HZ2  LYS  84           HZ2      LYS  84 -26.027   5.221  -6.392
  659    HZ3  LYS  84           HZ3      LYS  84 -26.980   5.383  -5.082
  660    H    GLY  85           H        GLY  85 -20.104   9.102  -3.984
  661    HA2  GLY  85           HA2      GLY  85 -21.238   9.422  -1.390
  662    HA3  GLY  85           HA3      GLY  85 -19.477   9.583  -1.279
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1   5.345  -0.212  -4.119
    2    H2   ALA   1           H2       ALA   1   4.616   0.815  -3.075
    3    H3   ALA   1           H3       ALA   1   5.368  -0.550  -2.508
    4    HA   ALA   1           HA       ALA   1   3.781  -1.901  -3.758
    5    HB1  ALA   1           HB1      ALA   1   2.531  -0.019  -1.701
    6    HB2  ALA   1           HB2      ALA   1   1.899  -1.607  -2.204
    7    HB3  ALA   1           HB3      ALA   1   3.437  -1.504  -1.343
    8    H    GLU   2           H        GLU   2   1.039  -0.103  -3.413
    9    HA   GLU   2           HA       GLU   2   1.235   1.454  -5.851
   10    HB2  GLU   2           HB2      GLU   2  -0.684   0.412  -6.933
   11    HB3  GLU   2           HB3      GLU   2   0.583  -0.791  -6.696
   12    HG2  GLU   2           HG2      GLU   2  -0.638  -1.668  -4.699
   13    HG3  GLU   2           HG3      GLU   2  -1.907  -0.470  -4.963
   14    H    HIS   3           H        HIS   3  -0.647   2.846  -6.098
   15    HA   HIS   3           HA       HIS   3  -2.649   2.951  -3.956
   16    HB2  HIS   3           HB2      HIS   3  -0.853   5.308  -4.706
   17    HB3  HIS   3           HB3      HIS   3  -2.397   5.478  -3.878
   18    HD1  HIS   3           HD1      HIS   3  -2.476   4.037  -1.376
   19    HD2  HIS   3           HD2      HIS   3   1.188   5.194  -3.094
   20    HE1  HIS   3           HE1      HIS   3  -0.767   4.016   0.506
   21    H    TRP   4           H        TRP   4  -4.554   4.107  -4.741
   22    HA   TRP   4           HA       TRP   4  -4.725   4.167  -7.721
   23    HB2  TRP   4           HB2      TRP   4  -6.745   3.382  -5.583
   24    HB3  TRP   4           HB3      TRP   4  -7.194   3.762  -7.231
   25    HD1  TRP   4           HD1      TRP   4  -4.857   1.254  -5.406
   26    HE1  TRP   4           HE1      TRP   4  -4.550  -0.830  -6.845
   27    HE3  TRP   4           HE3      TRP   4  -7.656   2.677  -9.449
   28    HZ2  TRP   4           HZ2      TRP   4  -5.554  -1.839  -9.376
   29    HZ3  TRP   4           HZ3      TRP   4  -7.936   1.149 -11.371
   30    HH2  TRP   4           HH2      TRP   4  -6.894  -1.114 -11.347
   31    H    ILE   5           H        ILE   5  -4.632   6.213  -8.381
   32    HA   ILE   5           HA       ILE   5  -5.866   8.362  -6.708
   33    HB   ILE   5           HB       ILE   5  -3.537   8.368  -8.670
   34   HG12  ILE   5          HG12      ILE   5  -2.242   9.378  -6.894
   35   HG13  ILE   5          HG13      ILE   5  -3.622   9.436  -5.811
   36   HG21  ILE   5          HG21      ILE   5  -4.977  10.750  -7.425
   37   HG22  ILE   5          HG22      ILE   5  -3.430  10.839  -8.302
   38   HG23  ILE   5          HG23      ILE   5  -4.895  10.350  -9.141
   39   HD11  ILE   5          HD11      ILE   5  -3.548   7.055  -5.481
   40   HD12  ILE   5          HD12      ILE   5  -2.372   6.847  -6.811
   41   HD13  ILE   5          HD13      ILE   5  -1.917   7.677  -5.307
   42    H    ASP   6           H        ASP   6  -7.831   8.851  -7.468
   43    HA   ASP   6           HA       ASP   6  -8.651   8.145 -10.221
   44    HB2  ASP   6           HB2      ASP   6 -10.116   7.769  -8.220
   45    HB3  ASP   6           HB3      ASP   6 -10.153   9.513  -7.943
   46    H    VAL   7           H        VAL   7  -8.534   9.644 -11.857
   47    HA   VAL   7           HA       VAL   7  -7.870  12.443 -11.077
   48    HB   VAL   7           HB       VAL   7  -6.432  12.584 -13.032
   49   HG11  VAL   7          HG11      VAL   7  -5.669  10.226 -11.275
   50   HG12  VAL   7          HG12      VAL   7  -4.574  11.278 -12.189
   51   HG13  VAL   7          HG13      VAL   7  -5.487  11.938 -10.830
   52   HG21  VAL   7          HG21      VAL   7  -7.443  10.825 -14.465
   53   HG22  VAL   7          HG22      VAL   7  -5.705  10.622 -14.236
   54   HG23  VAL   7          HG23      VAL   7  -6.827   9.580 -13.346
   55    H    ARG   8           H        ARG   8 -10.480  10.860 -12.349
   56    HA   ARG   8           HA       ARG   8 -11.162  12.801 -14.455
   57    HB2  ARG   8           HB2      ARG   8 -13.439  12.002 -14.309
   58    HB3  ARG   8           HB3      ARG   8 -12.320  10.661 -14.401
   59    HG2  ARG   8           HG2      ARG   8 -12.468  10.694 -11.778
   60    HG3  ARG   8           HG3      ARG   8 -13.935  11.594 -12.021
   61    HD2  ARG   8           HD2      ARG   8 -15.055   9.793 -12.983
   62    HD3  ARG   8           HD3      ARG   8 -13.589   9.085 -13.677
   63    HE   ARG   8           HE       ARG   8 -12.960   8.748 -11.166
   64   HH11  ARG   8          HH21      ARG   8 -16.207   8.125 -12.594
   65   HH12  ARG   8          HH22      ARG   8 -16.696   7.223 -11.182
   66   HH21  ARG   8          HH11      ARG   8 -13.675   7.641  -9.479
   67   HH22  ARG   8          HH12      ARG   8 -15.305   6.934  -9.440
   68    H    VAL   9           H        VAL   9 -13.083  14.295 -14.098
   69    HA   VAL   9           HA       VAL   9 -12.315  16.208 -12.219
   70    HB   VAL   9           HB       VAL   9 -14.448  17.355 -12.819
   71   HG11  VAL   9          HG11      VAL   9 -13.918  17.701 -15.156
   72   HG12  VAL   9          HG12      VAL   9 -12.417  17.541 -14.231
   73   HG13  VAL   9          HG13      VAL   9 -12.994  16.191 -15.232
   74   HG21  VAL   9          HG21      VAL   9 -15.948  16.412 -14.500
   75   HG22  VAL   9          HG22      VAL   9 -15.069  14.872 -14.476
   76   HG23  VAL   9          HG23      VAL   9 -15.952  15.430 -13.034
   77    HA   PRO  10           HA       PRO  10 -13.862  14.670  -8.474
   78    HB2  PRO  10           HB2      PRO  10 -14.805  16.819  -7.016
   79    HB3  PRO  10           HB3      PRO  10 -13.079  16.512  -7.363
   80    HG2  PRO  10           HG2      PRO  10 -14.983  18.358  -8.829
   81    HG3  PRO  10           HG3      PRO  10 -13.288  18.686  -8.295
   82    HD2  PRO  10           HD2      PRO  10 -13.925  17.990 -10.842
   83    HD3  PRO  10           HD3      PRO  10 -12.406  17.451 -10.090
   84    H    GLU  11           H        GLU  11 -16.259  16.602 -10.231
   85    HA   GLU  11           HA       GLU  11 -18.597  15.515  -8.916
   86    HB2  GLU  11           HB2      GLU  11 -18.096  16.978 -11.527
   87    HB3  GLU  11           HB3      GLU  11 -19.713  16.454 -11.001
   88    HG2  GLU  11           HG2      GLU  11 -19.449  17.785  -8.912
   89    HG3  GLU  11           HG3      GLU  11 -17.868  18.340  -9.463
   90    H    GLN  12           H        GLN  12 -16.329  13.900 -10.791
   91    HA   GLN  12           HA       GLN  12 -18.384  11.934 -11.680
   92    HB2  GLN  12           HB2      GLN  12 -15.700  12.581 -12.940
   93    HB3  GLN  12           HB3      GLN  12 -16.683  11.164 -13.334
   94    HG2  GLN  12           HG2      GLN  12 -17.676  14.032 -13.589
   95    HG3  GLN  12           HG3      GLN  12 -16.970  13.099 -14.900
   96   HE21  GLN  12          HE22      GLN  12 -19.828  13.438 -12.778
   97   HE22  GLN  12          HE21      GLN  12 -20.874  12.464 -13.789
   98    H    TYR  13           H        TYR  13 -15.281  12.409  -9.909
   99    HA   TYR  13           HA       TYR  13 -14.923   9.742  -9.047
  100    HB2  TYR  13           HB2      TYR  13 -13.242  11.229  -8.381
  101    HB3  TYR  13           HB3      TYR  13 -14.390  12.417  -7.794
  102    HD1  TYR  13           HD2      TYR  13 -12.839   9.073  -6.904
  103    HD2  TYR  13           HD1      TYR  13 -15.148  12.468  -5.560
  104    HE1  TYR  13           HE2      TYR  13 -12.576   8.333  -4.590
  105    HE2  TYR  13           HE1      TYR  13 -14.987  11.653  -3.231
  106    HH   TYR  13           HH       TYR  13 -13.151   8.682  -2.361
  107    H    GLN  14           H        GLN  14 -17.066  12.294  -7.706
  108    HA   GLN  14           HA       GLN  14 -17.965  10.840  -5.490
  109    HB2  GLN  14           HB2      GLN  14 -19.230  13.079  -7.115
  110    HB3  GLN  14           HB3      GLN  14 -19.978  12.451  -5.643
  111    HG2  GLN  14           HG2      GLN  14 -18.112  13.090  -4.273
  112    HG3  GLN  14           HG3      GLN  14 -17.120  13.478  -5.674
  113   HE21  GLN  14          HE22      GLN  14 -17.432  15.404  -6.815
  114   HE22  GLN  14          HE21      GLN  14 -18.415  16.724  -6.189
  115    H    GLN  15           H        GLN  15 -18.930  10.357  -8.845
  116    HA   GLN  15           HA       GLN  15 -21.649   9.593  -8.257
  117    HB2  GLN  15           HB2      GLN  15 -19.961   8.996 -10.725
  118    HB3  GLN  15           HB3      GLN  15 -21.715   8.882 -10.608
  119    HG2  GLN  15           HG2      GLN  15 -20.051  11.432 -10.375
  120    HG3  GLN  15           HG3      GLN  15 -21.002  10.949 -11.764
  121   HE21  GLN  15          HE22      GLN  15 -21.157  13.414 -10.203
  122   HE22  GLN  15          HE21      GLN  15 -22.793  13.510  -9.570
  123    H    GLU  16           H        GLU  16 -18.688   7.709  -9.059
  124    HA   GLU  16           HA       GLU  16 -19.183   5.659  -7.173
  125    HB2  GLU  16           HB2      GLU  16 -20.829   4.772  -8.691
  126    HB3  GLU  16           HB3      GLU  16 -19.797   5.046 -10.101
  127    HG2  GLU  16           HG2      GLU  16 -18.315   3.245  -9.458
  128    HG3  GLU  16           HG3      GLU  16 -19.080   3.106  -7.871
  129    H    HIS  17           H        HIS  17 -17.148   4.534  -6.923
  130    HA   HIS  17           HA       HIS  17 -14.944   5.237  -8.750
  131    HB2  HIS  17           HB2      HIS  17 -13.708   6.404  -7.134
  132    HB3  HIS  17           HB3      HIS  17 -15.310   7.056  -6.919
  133    HD1  HIS  17           HD1      HIS  17 -16.634   5.228  -4.793
  134    HD2  HIS  17           HD2      HIS  17 -12.499   6.032  -4.944
  135    HE1  HIS  17           HE1      HIS  17 -15.744   4.864  -2.436
  136    H    VAL  18           H        VAL  18 -13.078   3.966  -8.446
  137    HA   VAL  18           HA       VAL  18 -13.426   1.241  -7.667
  138    HB   VAL  18           HB       VAL  18 -10.950   2.986  -8.066
  139   HG11  VAL  18          HG11      VAL  18 -11.164  -0.007  -7.593
  140   HG12  VAL  18          HG12      VAL  18  -9.725   0.779  -8.288
  141   HG13  VAL  18          HG13      VAL  18 -10.238   1.172  -6.644
  142   HG21  VAL  18          HG21      VAL  18 -12.353   2.584 -10.107
  143   HG22  VAL  18          HG22      VAL  18 -10.758   1.842 -10.204
  144   HG23  VAL  18          HG23      VAL  18 -12.186   0.836  -9.849
  145    H    GLN  19           H        GLN  19 -13.388   0.369  -5.674
  146    HA   GLN  19           HA       GLN  19 -13.996   1.954  -3.508
  147    HB2  GLN  19           HB2      GLN  19 -14.559  -0.443  -3.840
  148    HB3  GLN  19           HB3      GLN  19 -12.892  -0.886  -3.450
  149    HG2  GLN  19           HG2      GLN  19 -13.177   0.143  -1.190
  150    HG3  GLN  19           HG3      GLN  19 -14.850   0.536  -1.583
  151   HE21  GLN  19          HE22      GLN  19 -13.233  -1.524   0.290
  152   HE22  GLN  19          HE21      GLN  19 -14.194  -2.972   0.125
  153    H    GLY  20           H        GLY  20 -12.779   3.452  -2.535
  154    HA2  GLY  20           HA2      GLY  20 -11.293   4.055  -0.874
  155    HA3  GLY  20           HA3      GLY  20 -10.349   2.585  -1.136
  156    H    ALA  21           H        ALA  21 -10.864   4.056  -4.187
  157    HA   ALA  21           HA       ALA  21  -8.142   4.963  -4.428
  158    HB1  ALA  21           HB1      ALA  21 -10.592   5.618  -6.121
  159    HB2  ALA  21           HB2      ALA  21  -8.901   5.906  -6.574
  160    HB3  ALA  21           HB3      ALA  21  -9.494   4.240  -6.374
  161    H    ILE  22           H        ILE  22  -7.309   7.085  -4.363
  162    HA   ILE  22           HA       ILE  22  -8.879   8.950  -2.705
  163    HB   ILE  22           HB       ILE  22  -6.651   8.517  -1.965
  164   HG12  ILE  22          HG12      ILE  22  -6.867  11.338  -3.091
  165   HG13  ILE  22          HG13      ILE  22  -7.687  10.742  -1.648
  166   HG21  ILE  22          HG21      ILE  22  -5.508   7.905  -4.047
  167   HG22  ILE  22          HG22      ILE  22  -5.606   9.586  -4.613
  168   HG23  ILE  22          HG23      ILE  22  -4.618   9.152  -3.204
  169   HD11  ILE  22          HD11      ILE  22  -5.749  11.991  -0.966
  170   HD12  ILE  22          HD12      ILE  22  -5.450  10.278  -0.608
  171   HD13  ILE  22          HD13      ILE  22  -4.681  11.053  -2.016
  172    H    ASN  23           H        ASN  23  -9.808  10.735  -3.450
  173    HA   ASN  23           HA       ASN  23 -10.056  11.357  -6.287
  174    HB2  ASN  23           HB2      ASN  23 -11.909  11.715  -4.800
  175    HB3  ASN  23           HB3      ASN  23 -10.945  12.700  -3.711
  176   HD21  ASN  23          HD22      ASN  23 -10.140  14.749  -4.517
  177   HD22  ASN  23          HD21      ASN  23 -11.145  15.666  -5.637
  178    H    ILE  24           H        ILE  24  -8.216  12.136  -7.327
  179    HA   ILE  24           HA       ILE  24  -7.437  14.769  -6.395
  180    HB   ILE  24           HB       ILE  24  -5.026  13.262  -7.288
  181   HG12  ILE  24          HG12      ILE  24  -5.897  13.126  -4.387
  182   HG13  ILE  24          HG13      ILE  24  -5.896  11.753  -5.501
  183   HG21  ILE  24          HG21      ILE  24  -3.956  14.994  -5.974
  184   HG22  ILE  24          HG22      ILE  24  -5.276  15.773  -6.864
  185   HG23  ILE  24          HG23      ILE  24  -5.477  15.394  -5.149
  186   HD11  ILE  24          HD11      ILE  24  -3.416  12.109  -5.847
  187   HD12  ILE  24          HD12      ILE  24  -3.469  13.294  -4.519
  188   HD13  ILE  24          HD13      ILE  24  -3.897  11.603  -4.220
  189    HA   PRO  25           HA       PRO  25  -8.920  14.292 -10.774
  190    HB2  PRO  25           HB2      PRO  25  -9.241  17.237 -10.185
  191    HB3  PRO  25           HB3      PRO  25 -10.305  16.164 -11.136
  192    HG2  PRO  25           HG2      PRO  25 -10.905  16.804  -8.557
  193    HG3  PRO  25           HG3      PRO  25 -11.152  15.128  -9.153
  194    HD2  PRO  25           HD2      PRO  25  -8.943  16.222  -7.434
  195    HD3  PRO  25           HD3      PRO  25  -9.745  14.621  -7.414
  196    H    LEU  26           H        LEU  26  -8.020  15.063 -12.811
  197    HA   LEU  26           HA       LEU  26  -5.316  15.628 -12.958
  198    HB2  LEU  26           HB2      LEU  26  -6.666  14.842 -14.833
  199    HB3  LEU  26           HB3      LEU  26  -7.558  16.370 -14.871
  200    HG   LEU  26           HG       LEU  26  -5.394  17.550 -15.481
  201   HD11  LEU  26          HD11      LEU  26  -3.775  15.883 -14.632
  202   HD12  LEU  26          HD12      LEU  26  -4.386  14.683 -15.792
  203   HD13  LEU  26          HD13      LEU  26  -3.545  16.142 -16.364
  204   HD21  LEU  26          HD21      LEU  26  -5.453  16.871 -17.805
  205   HD22  LEU  26          HD22      LEU  26  -6.278  15.355 -17.375
  206   HD23  LEU  26          HD23      LEU  26  -7.093  16.917 -17.152
  207    H    LYS  27           H        LYS  27  -7.944  18.044 -12.626
  208    HA   LYS  27           HA       LYS  27  -6.238  20.334 -13.065
  209    HB2  LYS  27           HB2      LYS  27  -8.961  20.025 -11.724
  210    HB3  LYS  27           HB3      LYS  27  -8.150  21.577 -11.955
  211    HG2  LYS  27           HG2      LYS  27  -8.079  21.214 -14.401
  212    HG3  LYS  27           HG3      LYS  27  -8.945  19.678 -14.202
  213    HD2  LYS  27           HD2      LYS  27 -10.904  20.853 -13.291
  214    HD3  LYS  27           HD3      LYS  27 -10.015  22.378 -13.274
  215    HE2  LYS  27           HE2      LYS  27 -11.482  22.429 -15.159
  216    HE3  LYS  27           HE3      LYS  27  -9.822  22.324 -15.745
  217    HZ1  LYS  27           HZ1      LYS  27 -11.309  20.850 -16.947
  218    HZ2  LYS  27           HZ2      LYS  27 -10.194  19.959 -16.167
  219    HZ3  LYS  27           HZ3      LYS  27 -11.729  20.056 -15.591
  220    H    GLU  28           H        GLU  28  -6.483  18.201 -10.373
  221    HA   GLU  28           HA       GLU  28  -5.577  20.270  -8.421
  222    HB2  GLU  28           HB2      GLU  28  -6.952  17.582  -7.996
  223    HB3  GLU  28           HB3      GLU  28  -6.569  18.757  -6.754
  224    HG2  GLU  28           HG2      GLU  28  -8.598  19.149  -9.005
  225    HG3  GLU  28           HG3      GLU  28  -8.967  18.712  -7.350
  226    H    VAL  29           H        VAL  29  -4.868  17.115  -9.871
  227    HA   VAL  29           HA       VAL  29  -3.406  15.917  -7.954
  228    HB   VAL  29           HB       VAL  29  -4.258  14.972 -10.064
  229   HG11  VAL  29          HG11      VAL  29  -2.953  14.920 -12.080
  230   HG12  VAL  29          HG12      VAL  29  -3.258  16.610 -11.659
  231   HG13  VAL  29          HG13      VAL  29  -1.665  15.894 -11.346
  232   HG21  VAL  29          HG21      VAL  29  -1.379  14.187  -9.572
  233   HG22  VAL  29          HG22      VAL  29  -2.760  13.678  -8.565
  234   HG23  VAL  29          HG23      VAL  29  -2.673  13.192 -10.264
  235    H    LYS  30           H        LYS  30  -1.989  18.334 -10.179
  236    HA   LYS  30           HA       LYS  30   0.711  17.816  -9.519
  237    HB2  LYS  30           HB2      LYS  30  -0.595  20.463 -10.292
  238    HB3  LYS  30           HB3      LYS  30   1.145  20.149 -10.272
  239    HG2  LYS  30           HG2      LYS  30   0.808  18.298 -11.926
  240    HG3  LYS  30           HG3      LYS  30  -0.895  18.748 -12.053
  241    HD2  LYS  30           HD2      LYS  30   1.482  20.546 -12.696
  242    HD3  LYS  30           HD3      LYS  30   0.537  19.677 -13.894
  243    HE2  LYS  30           HE2      LYS  30  -0.589  21.818 -12.024
  244    HE3  LYS  30           HE3      LYS  30  -0.014  22.122 -13.660
  245    HZ1  LYS  30           HZ1      LYS  30  -2.291  20.342 -12.995
  246    HZ2  LYS  30           HZ2      LYS  30  -2.394  21.840 -13.626
  247    HZ3  LYS  30           HZ3      LYS  30  -1.728  20.646 -14.505
  248    H    GLU  31           H        GLU  31  -1.744  19.534  -7.638
  249    HA   GLU  31           HA       GLU  31   0.196  20.950  -5.987
  250    HB2  GLU  31           HB2      GLU  31  -2.112  21.759  -6.624
  251    HB3  GLU  31           HB3      GLU  31  -2.792  20.486  -5.603
  252    HG2  GLU  31           HG2      GLU  31  -1.659  21.501  -3.621
  253    HG3  GLU  31           HG3      GLU  31  -0.982  22.758  -4.666
  254    H    ARG  32           H        ARG  32  -1.387  17.794  -5.918
  255    HA   ARG  32           HA       ARG  32  -0.640  17.462  -3.027
  256    HB2  ARG  32           HB2      ARG  32  -3.227  17.134  -4.503
  257    HB3  ARG  32           HB3      ARG  32  -2.868  15.918  -3.278
  258    HG2  ARG  32           HG2      ARG  32  -2.777  17.447  -1.527
  259    HG3  ARG  32           HG3      ARG  32  -2.546  18.849  -2.574
  260    HD2  ARG  32           HD2      ARG  32  -5.105  17.259  -2.813
  261    HD3  ARG  32           HD3      ARG  32  -4.893  18.352  -1.439
  262    HE   ARG  32           HE       ARG  32  -4.277  20.092  -3.278
  263   HH11  ARG  32          HH11      ARG  32  -6.934  17.718  -3.504
  264   HH12  ARG  32          HH12      ARG  32  -7.909  18.759  -4.481
  265   HH21  ARG  32          HH21      ARG  32  -5.535  21.402  -4.468
  266   HH22  ARG  32          HH22      ARG  32  -7.068  20.869  -5.157
  267    H    ILE  33           H        ILE  33  -0.369  15.912  -6.180
  268    HA   ILE  33           HA       ILE  33  -0.271  13.289  -5.215
  269    HB   ILE  33           HB       ILE  33  -0.482  13.883  -7.542
  270   HG12  ILE  33          HG12      ILE  33   0.904  12.138  -8.551
  271   HG13  ILE  33          HG13      ILE  33   1.928  12.078  -7.123
  272   HG21  ILE  33          HG21      ILE  33   1.316  15.733  -7.563
  273   HG22  ILE  33          HG22      ILE  33   2.495  14.427  -7.775
  274   HG23  ILE  33          HG23      ILE  33   1.215  14.707  -8.977
  275   HD11  ILE  33          HD11      ILE  33  -1.052  11.444  -7.154
  276   HD12  ILE  33          HD12      ILE  33   0.248  10.238  -7.268
  277   HD13  ILE  33          HD13      ILE  33   0.070  11.191  -5.792
  278    H    ALA  34           H        ALA  34   2.289  15.749  -5.217
  279    HA   ALA  34           HA       ALA  34   4.437  14.096  -4.406
  280    HB1  ALA  34           HB1      ALA  34   5.498  16.212  -3.740
  281    HB2  ALA  34           HB2      ALA  34   4.684  16.389  -5.303
  282    HB3  ALA  34           HB3      ALA  34   3.935  17.048  -3.825
  283    H    THR  35           H        THR  35   1.621  14.823  -2.604
  284    HA   THR  35           HA       THR  35   2.994  14.290  -0.012
  285    HB   THR  35           HB       THR  35   0.357  15.728  -0.476
  286    HG1  THR  35           HG1      THR  35   1.483  17.625  -0.331
  287   HG21  THR  35          HG21      THR  35   0.780  16.630   1.801
  288   HG22  THR  35          HG22      THR  35   0.680  14.866   1.819
  289   HG23  THR  35          HG23      THR  35   2.267  15.659   1.911
  290    H    ALA  36           H        ALA  36   0.186  13.515  -2.131
  291    HA   ALA  36           HA       ALA  36  -0.904  11.468  -0.446
  292    HB1  ALA  36           HB1      ALA  36  -2.156  12.545  -2.288
  293    HB2  ALA  36           HB2      ALA  36  -1.039  11.828  -3.476
  294    HB3  ALA  36           HB3      ALA  36  -2.086  10.782  -2.497
  295    H    VAL  37           H        VAL  37   1.597  11.466  -3.034
  296    HA   VAL  37           HA       VAL  37   2.537   8.820  -2.112
  297    HB   VAL  37           HB       VAL  37   2.148   9.483  -5.064
  298   HG11  VAL  37          HG11      VAL  37   2.651   7.064  -5.340
  299   HG12  VAL  37          HG12      VAL  37   3.990   7.906  -4.564
  300   HG13  VAL  37          HG13      VAL  37   2.892   6.910  -3.588
  301   HG21  VAL  37          HG21      VAL  37  -0.091   9.150  -4.171
  302   HG22  VAL  37          HG22      VAL  37   0.403   7.726  -5.083
  303   HG23  VAL  37          HG23      VAL  37   0.431   7.686  -3.307
  304    HA   PRO  38           HA       PRO  38   5.782  12.140  -2.439
  305    HB2  PRO  38           HB2      PRO  38   6.868  10.588  -0.106
  306    HB3  PRO  38           HB3      PRO  38   6.746  12.358  -0.326
  307    HG2  PRO  38           HG2      PRO  38   5.031  11.026   1.319
  308    HG3  PRO  38           HG3      PRO  38   4.445  12.353   0.265
  309    HD2  PRO  38           HD2      PRO  38   4.281   9.367  -0.217
  310    HD3  PRO  38           HD3      PRO  38   3.017  10.612  -0.410
  311    H    ASP  39           H        ASP  39   6.017   8.598  -1.949
  312    HA   ASP  39           HA       ASP  39   8.742   8.416  -2.953
  313    HB2  ASP  39           HB2      ASP  39   8.008   6.837  -1.282
  314    HB3  ASP  39           HB3      ASP  39   6.666   6.301  -2.303
  315    H    LYS  40           H        LYS  40   8.961   9.036  -5.049
  316    HA   LYS  40           HA       LYS  40   7.010   8.653  -7.059
  317    HB2  LYS  40           HB2      LYS  40   9.999   9.192  -7.317
  318    HB3  LYS  40           HB3      LYS  40   8.826   9.318  -8.631
  319    HG2  LYS  40           HG2      LYS  40   7.540  11.008  -7.269
  320    HG3  LYS  40           HG3      LYS  40   8.847  10.978  -6.076
  321    HD2  LYS  40           HD2      LYS  40  10.445  11.715  -7.853
  322    HD3  LYS  40           HD3      LYS  40   9.081  11.819  -8.995
  323    HE2  LYS  40           HE2      LYS  40   7.949  13.443  -7.492
  324    HE3  LYS  40           HE3      LYS  40   9.299  13.338  -6.354
  325    HZ1  LYS  40           HZ1      LYS  40   9.453  14.382  -9.125
  326    HZ2  LYS  40           HZ2      LYS  40   9.515  15.272  -7.756
  327    HZ3  LYS  40           HZ3      LYS  40  10.736  14.250  -8.103
  328    H    ASN  41           H        ASN  41   9.078   6.240  -5.728
  329    HA   ASN  41           HA       ASN  41   9.186   4.621  -8.167
  330    HB2  ASN  41           HB2      ASN  41  11.008   4.463  -6.575
  331    HB3  ASN  41           HB3      ASN  41   9.887   4.017  -5.284
  332   HD21  ASN  41          HD22      ASN  41  10.430   2.775  -8.707
  333   HD22  ASN  41          HD21      ASN  41  10.606   1.130  -8.171
  334    H    ASP  42           H        ASP  42   6.773   5.267  -5.721
  335    HA   ASP  42           HA       ASP  42   5.654   2.611  -5.576
  336    HB2  ASP  42           HB2      ASP  42   5.355   4.447  -3.873
  337    HB3  ASP  42           HB3      ASP  42   4.282   5.255  -5.027
  338    H    THR  43           H        THR  43   3.681   1.824  -6.575
  339    HA   THR  43           HA       THR  43   3.514   2.644  -9.347
  340    HB   THR  43           HB       THR  43   1.779   0.568  -7.995
  341    HG1  THR  43           HG1      THR  43   3.703  -0.096  -7.404
  342   HG21  THR  43          HG21      THR  43   1.240   1.124 -10.342
  343   HG22  THR  43          HG22      THR  43   2.921   0.798 -10.813
  344   HG23  THR  43          HG23      THR  43   1.890  -0.519 -10.205
  345    H    VAL  44           H        VAL  44   2.456   4.569  -9.680
  346    HA   VAL  44           HA       VAL  44   0.024   5.219  -8.169
  347    HB   VAL  44           HB       VAL  44   1.161   6.806 -10.495
  348   HG11  VAL  44          HG11      VAL  44  -1.138   7.351  -9.582
  349   HG12  VAL  44          HG12      VAL  44  -0.386   7.668  -8.010
  350   HG13  VAL  44          HG13      VAL  44   0.030   8.669  -9.416
  351   HG21  VAL  44          HG21      VAL  44   2.012   6.960  -7.580
  352   HG22  VAL  44          HG22      VAL  44   3.047   6.596  -8.977
  353   HG23  VAL  44          HG23      VAL  44   2.349   8.205  -8.802
  354    H    LYS  45           H        LYS  45  -1.460   3.622  -8.744
  355    HA   LYS  45           HA       LYS  45  -2.118   3.012 -11.541
  356    HB2  LYS  45           HB2      LYS  45  -3.660   2.615  -8.931
  357    HB3  LYS  45           HB3      LYS  45  -4.181   2.012 -10.492
  358    HG2  LYS  45           HG2      LYS  45  -1.532   1.187  -9.209
  359    HG3  LYS  45           HG3      LYS  45  -3.057   0.370  -8.890
  360    HD2  LYS  45           HD2      LYS  45  -3.325  -0.115 -11.312
  361    HD3  LYS  45           HD3      LYS  45  -1.733   0.618 -11.624
  362    HE2  LYS  45           HE2      LYS  45  -0.642  -1.022 -10.173
  363    HE3  LYS  45           HE3      LYS  45  -2.205  -1.671  -9.658
  364    HZ1  LYS  45           HZ1      LYS  45  -1.156  -3.049 -11.350
  365    HZ2  LYS  45           HZ2      LYS  45  -2.567  -2.458 -11.910
  366    HZ3  LYS  45           HZ3      LYS  45  -1.148  -1.821 -12.432
  367    H    VAL  46           H        VAL  46  -3.383   4.344 -12.815
  368    HA   VAL  46           HA       VAL  46  -5.071   6.374 -11.443
  369    HB   VAL  46           HB       VAL  46  -4.555   7.978 -13.250
  370   HG11  VAL  46          HG11      VAL  46  -3.456   8.111 -11.032
  371   HG12  VAL  46          HG12      VAL  46  -2.094   7.158 -11.667
  372   HG13  VAL  46          HG13      VAL  46  -2.448   8.764 -12.333
  373   HG21  VAL  46          HG21      VAL  46  -3.637   6.470 -14.985
  374   HG22  VAL  46          HG22      VAL  46  -2.515   7.773 -14.595
  375   HG23  VAL  46          HG23      VAL  46  -2.222   6.142 -13.961
  376    H    TYR  47           H        TYR  47  -7.052   6.788 -12.364
  377    HA   TYR  47           HA       TYR  47  -7.749   5.655 -14.931
  378    HB2  TYR  47           HB2      TYR  47  -9.503   4.263 -14.262
  379    HB3  TYR  47           HB3      TYR  47  -8.152   3.743 -13.271
  380    HD1  TYR  47           HD2      TYR  47  -8.023   4.760 -10.845
  381    HD2  TYR  47           HD1      TYR  47 -11.566   4.881 -13.311
  382    HE1  TYR  47           HE2      TYR  47  -9.389   5.258  -8.851
  383    HE2  TYR  47           HE1      TYR  47 -12.941   5.367 -11.314
  384    HH   TYR  47           HH       TYR  47 -11.512   5.774  -8.057
  385    H    CYS  48           H        CYS  48 -10.048   6.370 -15.440
  386    HA   CYS  48           HA       CYS  48 -11.122   8.565 -13.892
  387    HB2  CYS  48           HB2      CYS  48 -10.727  10.283 -15.664
  388    HB3  CYS  48           HB3      CYS  48  -9.227   9.689 -14.974
  389    HG   CYS  48           HG       CYS  48  -8.536   8.122 -16.812
  390    H    ASN  49           H        ASN  49 -12.110   9.471 -16.713
  391    HA   ASN  49           HA       ASN  49 -13.897   7.232 -17.423
  392    HB2  ASN  49           HB2      ASN  49 -15.266   8.886 -16.152
  393    HB3  ASN  49           HB3      ASN  49 -14.670  10.184 -17.195
  394   HD21  ASN  49          HD22      ASN  49 -16.568   7.110 -17.200
  395   HD22  ASN  49          HD21      ASN  49 -17.456   7.479 -18.653
  396    H    ALA  50           H        ALA  50 -13.718   6.884 -19.572
  397    HA   ALA  50           HA       ALA  50 -13.036   6.933 -21.679
  398    HB1  ALA  50           HB1      ALA  50 -13.298   9.956 -21.540
  399    HB2  ALA  50           HB2      ALA  50 -13.327   8.943 -22.996
  400    HB3  ALA  50           HB3      ALA  50 -14.635   8.812 -21.809
  401    H    GLY  51           H        GLY  51 -10.902   7.450 -19.434
  402    HA2  GLY  51           HA2      GLY  51  -8.675   7.010 -19.483
  403    HA3  GLY  51           HA3      GLY  51  -8.751   6.972 -21.242
  404    H    ARG  52           H        ARG  52  -9.646   9.787 -21.508
  405    HA   ARG  52           HA       ARG  52  -7.167  10.983 -21.889
  406    HB2  ARG  52           HB2      ARG  52  -8.531  13.213 -21.868
  407    HB3  ARG  52           HB3      ARG  52  -8.743  12.026 -23.142
  408    HG2  ARG  52           HG2      ARG  52 -10.822  11.251 -22.291
  409    HG3  ARG  52           HG3      ARG  52 -10.618  12.090 -20.750
  410    HD2  ARG  52           HD2      ARG  52 -10.811  13.531 -23.429
  411    HD3  ARG  52           HD3      ARG  52 -12.222  13.153 -22.422
  412    HE   ARG  52           HE       ARG  52 -10.497  14.411 -20.676
  413   HH11  ARG  52          HH21      ARG  52 -11.995  15.419 -23.739
  414   HH12  ARG  52          HH22      ARG  52 -12.077  17.081 -23.285
  415   HH21  ARG  52          HH11      ARG  52 -10.634  16.483 -20.068
  416   HH22  ARG  52          HH12      ARG  52 -11.250  17.730 -21.115
  417    H    GLN  53           H        GLN  53  -9.115  11.643 -18.944
  418    HA   GLN  53           HA       GLN  53  -7.151  13.461 -17.968
  419    HB2  GLN  53           HB2      GLN  53  -9.255  11.831 -16.523
  420    HB3  GLN  53           HB3      GLN  53  -8.089  12.820 -15.663
  421    HG2  GLN  53           HG2      GLN  53 -10.177  14.056 -15.906
  422    HG3  GLN  53           HG3      GLN  53  -8.864  14.848 -16.759
  423   HE21  GLN  53          HE22      GLN  53 -11.349  12.278 -17.526
  424   HE22  GLN  53          HE21      GLN  53 -11.844  13.012 -19.015
  425    H    SER  54           H        SER  54  -7.240   9.886 -17.845
  426    HA   SER  54           HA       SER  54  -5.005   9.703 -15.994
  427    HB2  SER  54           HB2      SER  54  -6.204   7.637 -17.870
  428    HB3  SER  54           HB3      SER  54  -5.025   7.333 -16.583
  429    HG   SER  54           HG       SER  54  -6.611   8.277 -15.120
  430    H    GLY  55           H        GLY  55  -5.295   9.545 -19.597
  431    HA2  GLY  55           HA2      GLY  55  -2.522   8.957 -20.052
  432    HA3  GLY  55           HA3      GLY  55  -3.630   9.764 -21.185
  433    H    GLN  56           H        GLN  56  -4.362  12.013 -19.815
  434    HA   GLN  56           HA       GLN  56  -2.208  13.840 -20.067
  435    HB2  GLN  56           HB2      GLN  56  -5.001  13.838 -18.880
  436    HB3  GLN  56           HB3      GLN  56  -3.949  15.255 -18.671
  437    HG2  GLN  56           HG2      GLN  56  -4.741  14.022 -21.344
  438    HG3  GLN  56           HG3      GLN  56  -5.498  15.432 -20.615
  439   HE21  GLN  56          HE22      GLN  56  -3.133  14.500 -22.842
  440   HE22  GLN  56          HE21      GLN  56  -2.200  15.972 -22.868
  441    H    ALA  57           H        ALA  57  -3.596  12.274 -17.094
  442    HA   ALA  57           HA       ALA  57  -1.835  13.583 -15.303
  443    HB1  ALA  57           HB1      ALA  57  -3.166  10.861 -15.023
  444    HB2  ALA  57           HB2      ALA  57  -2.425  11.805 -13.717
  445    HB3  ALA  57           HB3      ALA  57  -3.859  12.435 -14.549
  446    H    LYS  58           H        LYS  58  -1.464  10.419 -17.052
  447    HA   LYS  58           HA       LYS  58   1.036   9.775 -15.865
  448    HB2  LYS  58           HB2      LYS  58  -0.365   8.171 -17.075
  449    HB3  LYS  58           HB3      LYS  58  -0.083   9.023 -18.600
  450    HG2  LYS  58           HG2      LYS  58   2.255   8.427 -18.602
  451    HG3  LYS  58           HG3      LYS  58   2.170   7.830 -16.934
  452    HD2  LYS  58           HD2      LYS  58   0.729   5.972 -17.607
  453    HD3  LYS  58           HD3      LYS  58   0.579   6.632 -19.237
  454    HE2  LYS  58           HE2      LYS  58   2.107   4.772 -19.290
  455    HE3  LYS  58           HE3      LYS  58   2.977   6.260 -19.659
  456    HZ1  LYS  58           HZ1      LYS  58   4.175   4.795 -18.131
  457    HZ2  LYS  58           HZ2      LYS  58   3.883   6.232 -17.428
  458    HZ3  LYS  58           HZ3      LYS  58   2.997   4.912 -17.005
  459    H    GLU  59           H        GLU  59   0.303  11.883 -18.719
  460    HA   GLU  59           HA       GLU  59   2.971  12.176 -19.555
  461    HB2  GLU  59           HB2      GLU  59   1.137  12.612 -21.002
  462    HB3  GLU  59           HB3      GLU  59   0.348  13.663 -19.843
  463    HG2  GLU  59           HG2      GLU  59   1.213  14.954 -21.622
  464    HG3  GLU  59           HG3      GLU  59   1.989  15.361 -20.095
  465    H    ILE  60           H        ILE  60   0.950  14.322 -17.293
  466    HA   ILE  60           HA       ILE  60   3.232  16.009 -16.877
  467    HB   ILE  60           HB       ILE  60   1.940  17.069 -15.172
  468   HG12  ILE  60          HG12      ILE  60   0.033  14.737 -15.391
  469   HG13  ILE  60          HG13      ILE  60   0.949  15.239 -13.959
  470   HG21  ILE  60          HG21      ILE  60   0.094  16.407 -17.500
  471   HG22  ILE  60          HG22      ILE  60   0.155  17.906 -16.553
  472   HG23  ILE  60          HG23      ILE  60   1.500  17.486 -17.611
  473   HD11  ILE  60          HD11      ILE  60  -1.335  15.836 -13.693
  474   HD12  ILE  60          HD12      ILE  60  -0.393  17.325 -13.898
  475   HD13  ILE  60          HD13      ILE  60  -1.376  16.687 -15.247
  476    H    LEU  61           H        LEU  61   2.002  13.111 -15.139
  477    HA   LEU  61           HA       LEU  61   3.691  13.544 -12.866
  478    HB2  LEU  61           HB2      LEU  61   2.302  11.064 -13.931
  479    HB3  LEU  61           HB3      LEU  61   3.209  11.099 -12.414
  480    HG   LEU  61           HG       LEU  61   0.793  12.874 -12.961
  481   HD11  LEU  61          HD11      LEU  61   0.133  10.512 -12.882
  482   HD12  LEU  61          HD12      LEU  61   1.024  10.289 -11.358
  483   HD13  LEU  61          HD13      LEU  61  -0.403  11.350 -11.423
  484   HD21  LEU  61          HD21      LEU  61   2.255  13.881 -11.310
  485   HD22  LEU  61          HD22      LEU  61   0.812  13.221 -10.552
  486   HD23  LEU  61          HD23      LEU  61   2.361  12.344 -10.420
  487    H    SER  62           H        SER  62   4.230  11.792 -15.956
  488    HA   SER  62           HA       SER  62   6.762  10.734 -15.065
  489    HB2  SER  62           HB2      SER  62   7.192  10.428 -17.536
  490    HB3  SER  62           HB3      SER  62   5.812   9.571 -16.840
  491    HG   SER  62           HG       SER  62   4.420  11.007 -17.743
  492    H    GLU  63           H        GLU  63   5.785  13.834 -16.593
  493    HA   GLU  63           HA       GLU  63   8.461  14.818 -16.881
  494    HB2  GLU  63           HB2      GLU  63   6.462  15.773 -18.000
  495    HB3  GLU  63           HB3      GLU  63   5.878  16.378 -16.446
  496    HG2  GLU  63           HG2      GLU  63   7.881  17.798 -16.217
  497    HG3  GLU  63           HG3      GLU  63   8.544  17.133 -17.712
  498    H    MET  64           H        MET  64   6.121  14.891 -14.157
  499    HA   MET  64           HA       MET  64   7.842  16.314 -12.336
  500    HB2  MET  64           HB2      MET  64   5.440  14.502 -11.880
  501    HB3  MET  64           HB3      MET  64   6.267  15.379 -10.595
  502    HG2  MET  64           HG2      MET  64   5.745  17.521 -11.600
  503    HG3  MET  64           HG3      MET  64   5.074  16.748 -13.026
  504    HE1  MET  64           HE1      MET  64   3.040  16.981  -8.872
  505    HE2  MET  64           HE2      MET  64   4.482  15.970  -9.100
  506    HE3  MET  64           HE3      MET  64   4.585  17.734  -9.316
  507    H    GLY  65           H        GLY  65   8.170  13.151 -13.607
  508    HA2  GLY  65           HA2      GLY  65  10.182  12.039 -13.303
  509    HA3  GLY  65           HA3      GLY  65  10.357  12.702 -11.678
  510    H    TYR  66           H        TYR  66   7.176  11.390 -12.163
  511    HA   TYR  66           HA       TYR  66   7.787   9.022 -10.522
  512    HB2  TYR  66           HB2      TYR  66   5.257   9.907 -11.960
  513    HB3  TYR  66           HB3      TYR  66   5.424   8.427 -11.022
  514    HD1  TYR  66           HD2      TYR  66   5.563  12.172 -10.707
  515    HD2  TYR  66           HD1      TYR  66   5.122   8.387  -8.682
  516    HE1  TYR  66           HE2      TYR  66   5.025  13.363  -8.604
  517    HE2  TYR  66           HE1      TYR  66   4.573   9.568  -6.582
  518    HH   TYR  66           HH       TYR  66   4.386  11.611  -5.527
  519    H    THR  67           H        THR  67   8.016   6.939 -11.319
  520    HA   THR  67           HA       THR  67   8.218   6.657 -14.279
  521    HB   THR  67           HB       THR  67  10.119   5.018 -13.516
  522    HG1  THR  67           HG1      THR  67  10.031   4.988 -11.363
  523   HG21  THR  67          HG21      THR  67  10.493   7.138 -14.728
  524   HG22  THR  67          HG22      THR  67  10.434   8.037 -13.196
  525   HG23  THR  67          HG23      THR  67  11.735   6.864 -13.497
  526    H    HIS  68           H        HIS  68   6.150   5.709 -11.964
  527    HA   HIS  68           HA       HIS  68   5.671   3.054 -13.194
  528    HB2  HIS  68           HB2      HIS  68   5.610   3.531 -10.192
  529    HB3  HIS  68           HB3      HIS  68   5.471   1.989 -11.035
  530    HD1  HIS  68           HD1      HIS  68   7.877   0.898 -11.841
  531    HD2  HIS  68           HD2      HIS  68   8.009   4.692 -10.042
  532    HE1  HIS  68           HE1      HIS  68  10.339   1.415 -11.449
  533    H    VAL  69           H        VAL  69   4.402   5.538 -13.693
  534    HA   VAL  69           HA       VAL  69   1.779   5.433 -12.346
  535    HB   VAL  69           HB       VAL  69   2.612   7.084 -14.765
  536   HG11  VAL  69          HG11      VAL  69   0.176   6.912 -14.449
  537   HG12  VAL  69          HG12      VAL  69   0.339   7.399 -12.748
  538   HG13  VAL  69          HG13      VAL  69   0.722   8.541 -14.047
  539   HG21  VAL  69          HG21      VAL  69   2.761   7.880 -11.828
  540   HG22  VAL  69          HG22      VAL  69   4.125   7.709 -12.960
  541   HG23  VAL  69          HG23      VAL  69   2.938   8.970 -13.217
  542    H    GLU  70           H        GLU  70   0.056   4.267 -13.254
  543    HA   GLU  70           HA       GLU  70   0.393   3.149 -15.992
  544    HB2  GLU  70           HB2      GLU  70   1.331   1.508 -14.406
  545    HB3  GLU  70           HB3      GLU  70  -0.172   1.523 -13.472
  546    HG2  GLU  70           HG2      GLU  70  -1.412   0.617 -15.397
  547    HG3  GLU  70           HG3      GLU  70   0.025   0.743 -16.417
  548    H    ASN  71           H        ASN  71  -1.455   3.527 -17.101
  549    HA   ASN  71           HA       ASN  71  -3.844   4.363 -15.663
  550    HB2  ASN  71           HB2      ASN  71  -3.460   5.507 -17.737
  551    HB3  ASN  71           HB3      ASN  71  -3.331   3.976 -18.623
  552   HD21  ASN  71          HD22      ASN  71  -5.789   5.069 -16.108
  553   HD22  ASN  71          HD21      ASN  71  -7.145   4.846 -17.180
  554    H    ALA  72           H        ALA  72  -5.029   2.858 -14.663
  555    HA   ALA  72           HA       ALA  72  -4.991   0.058 -15.357
  556    HB1  ALA  72           HB1      ALA  72  -6.855   1.686 -13.576
  557    HB2  ALA  72           HB2      ALA  72  -6.776  -0.089 -13.643
  558    HB3  ALA  72           HB3      ALA  72  -5.378   0.839 -13.065
  559    H    GLY  73           H        GLY  73  -7.063   2.802 -16.299
  560    HA2  GLY  73           HA2      GLY  73  -8.106   2.086 -18.623
  561    HA3  GLY  73           HA3      GLY  73  -9.075   1.052 -17.557
  562    H    GLY  74           H        GLY  74 -11.028   2.074 -17.748
  563    HA2  GLY  74           HA2      GLY  74 -11.284   4.680 -16.365
  564    HA3  GLY  74           HA3      GLY  74 -12.259   4.334 -17.809
  565    H    LEU  75           H        LEU  75 -13.443   4.779 -15.299
  566    HA   LEU  75           HA       LEU  75 -13.677   2.942 -13.393
  567    HB2  LEU  75           HB2      LEU  75 -14.903   5.114 -13.477
  568    HB3  LEU  75           HB3      LEU  75 -16.044   4.416 -14.615
  569    HG   LEU  75           HG       LEU  75 -16.607   2.667 -12.742
  570   HD11  LEU  75          HD11      LEU  75 -14.625   3.094 -11.311
  571   HD12  LEU  75          HD12      LEU  75 -15.200   4.757 -11.041
  572   HD13  LEU  75          HD13      LEU  75 -16.142   3.374 -10.450
  573   HD21  LEU  75          HD21      LEU  75 -17.303   5.581 -12.325
  574   HD22  LEU  75          HD22      LEU  75 -18.127   4.440 -13.399
  575   HD23  LEU  75          HD23      LEU  75 -18.159   4.182 -11.653
  576    H    LYS  76           H        LYS  76 -15.665   2.677 -16.371
  577    HA   LYS  76           HA       LYS  76 -17.167   0.439 -15.453
  578    HB2  LYS  76           HB2      LYS  76 -18.018   0.313 -17.733
  579    HB3  LYS  76           HB3      LYS  76 -17.992   1.976 -17.154
  580    HG2  LYS  76           HG2      LYS  76 -15.948   2.433 -18.486
  581    HG3  LYS  76           HG3      LYS  76 -15.874   0.740 -18.983
  582    HD2  LYS  76           HD2      LYS  76 -16.779   2.045 -20.786
  583    HD3  LYS  76           HD3      LYS  76 -18.036   0.969 -20.160
  584    HE2  LYS  76           HE2      LYS  76 -19.012   2.865 -18.873
  585    HE3  LYS  76           HE3      LYS  76 -17.733   3.931 -19.469
  586    HZ1  LYS  76           HZ1      LYS  76 -19.761   4.169 -20.754
  587    HZ2  LYS  76           HZ2      LYS  76 -18.585   3.584 -21.715
  588    HZ3  LYS  76           HZ3      LYS  76 -19.763   2.593 -21.164
  589    H    ASP  77           H        ASP  77 -13.918   0.475 -16.540
  590    HA   ASP  77           HA       ASP  77 -14.075  -2.333 -17.546
  591    HB2  ASP  77           HB2      ASP  77 -13.506  -0.586 -19.199
  592    HB3  ASP  77           HB3      ASP  77 -12.135  -0.093 -18.204
  593    H    ILE  78           H        ILE  78 -12.852  -0.429 -14.933
  594    HA   ILE  78           HA       ILE  78 -10.426  -1.873 -14.428
  595    HB   ILE  78           HB       ILE  78 -12.156  -0.700 -12.230
  596   HG12  ILE  78          HG12      ILE  78 -12.197   1.082 -13.823
  597   HG13  ILE  78          HG13      ILE  78 -11.126   1.505 -12.516
  598   HG21  ILE  78          HG21      ILE  78  -9.972  -0.186 -11.210
  599   HG22  ILE  78          HG22      ILE  78 -10.080  -1.899 -11.597
  600   HG23  ILE  78          HG23      ILE  78  -9.130  -0.838 -12.633
  601   HD11  ILE  78          HD11      ILE  78  -9.151   1.070 -13.905
  602   HD12  ILE  78          HD12      ILE  78 -10.185   0.518 -15.246
  603   HD13  ILE  78          HD13      ILE  78 -10.253   2.198 -14.700
  604    H    ALA  79           H        ALA  79 -10.143  -3.911 -13.492
  605    HA   ALA  79           HA       ALA  79 -12.422  -5.628 -13.097
  606    HB1  ALA  79           HB1      ALA  79 -10.729  -7.292 -12.440
  607    HB2  ALA  79           HB2      ALA  79 -10.231  -6.440 -13.912
  608    HB3  ALA  79           HB3      ALA  79  -9.489  -6.025 -12.346
  609    H    MET  80           H        MET  80 -10.749  -3.446 -10.988
  610    HA   MET  80           HA       MET  80 -11.101  -4.684  -8.456
  611    HB2  MET  80           HB2      MET  80 -10.955  -1.750  -9.285
  612    HB3  MET  80           HB3      MET  80 -10.889  -2.297  -7.618
  613    HG2  MET  80           HG2      MET  80  -8.885  -3.102  -9.757
  614    HG3  MET  80           HG3      MET  80  -8.661  -1.783  -8.619
  615    HE1  MET  80           HE1      MET  80  -9.476  -2.653  -5.798
  616    HE2  MET  80           HE2      MET  80  -7.987  -3.435  -5.231
  617    HE3  MET  80           HE3      MET  80  -7.892  -1.963  -6.223
  618    HA   PRO  81           HA       PRO  81 -15.472  -3.766  -7.672
  619    HB2  PRO  81           HB2      PRO  81 -15.507  -3.368  -4.957
  620    HB3  PRO  81           HB3      PRO  81 -15.292  -4.986  -5.693
  621    HG2  PRO  81           HG2      PRO  81 -13.142  -3.106  -4.668
  622    HG3  PRO  81           HG3      PRO  81 -13.335  -4.856  -4.328
  623    HD2  PRO  81           HD2      PRO  81 -11.634  -3.936  -6.242
  624    HD3  PRO  81           HD3      PRO  81 -12.556  -5.448  -6.478
  625    H    LYS  82           H        LYS  82 -16.832  -1.955  -7.066
  626    HA   LYS  82           HA       LYS  82 -15.520   0.596  -6.553
  627    HB2  LYS  82           HB2      LYS  82 -16.563   1.701  -8.477
  628    HB3  LYS  82           HB3      LYS  82 -15.348   0.545  -8.972
  629    HG2  LYS  82           HG2      LYS  82 -18.318  -0.113  -8.965
  630    HG3  LYS  82           HG3      LYS  82 -17.561   0.757 -10.292
  631    HD2  LYS  82           HD2      LYS  82 -16.774  -2.050  -9.423
  632    HD3  LYS  82           HD3      LYS  82 -17.888  -1.655 -10.723
  633    HE2  LYS  82           HE2      LYS  82 -16.151  -0.526 -11.998
  634    HE3  LYS  82           HE3      LYS  82 -14.995  -0.700 -10.667
  635    HZ1  LYS  82           HZ1      LYS  82 -14.997  -3.032 -10.935
  636    HZ2  LYS  82           HZ2      LYS  82 -16.202  -3.011 -12.071
  637    HZ3  LYS  82           HZ3      LYS  82 -14.712  -2.409 -12.397
  638    H    VAL  83           H        VAL  83 -16.978   2.205  -5.830
  639    HA   VAL  83           HA       VAL  83 -19.723   1.394  -5.117
  640    HB   VAL  83           HB       VAL  83 -19.275   1.904  -2.717
  641   HG11  VAL  83          HG11      VAL  83 -17.553  -0.427  -3.643
  642   HG12  VAL  83          HG12      VAL  83 -18.337  -0.211  -2.071
  643   HG13  VAL  83          HG13      VAL  83 -19.327  -0.459  -3.517
  644   HG21  VAL  83          HG21      VAL  83 -16.991   1.864  -1.813
  645   HG22  VAL  83          HG22      VAL  83 -16.314   1.777  -3.455
  646   HG23  VAL  83          HG23      VAL  83 -17.206   3.218  -2.923
  647    H    LYS  84           H        LYS  84 -20.869   3.280  -4.069
  648    HA   LYS  84           HA       LYS  84 -20.553   5.703  -5.518
  649    HB2  LYS  84           HB2      LYS  84 -21.874   5.271  -2.810
  650    HB3  LYS  84           HB3      LYS  84 -22.137   6.640  -3.883
  651    HG2  LYS  84           HG2      LYS  84 -22.893   3.743  -4.484
  652    HG3  LYS  84           HG3      LYS  84 -23.984   5.025  -3.958
  653    HD2  LYS  84           HD2      LYS  84 -23.454   6.294  -6.066
  654    HD3  LYS  84           HD3      LYS  84 -22.428   4.944  -6.574
  655    HE2  LYS  84           HE2      LYS  84 -24.510   4.695  -7.697
  656    HE3  LYS  84           HE3      LYS  84 -24.391   3.415  -6.487
  657    HZ1  LYS  84           HZ1      LYS  84 -25.965   5.914  -6.189
  658    HZ2  LYS  84           HZ2      LYS  84 -26.579   4.443  -6.514
  659    HZ3  LYS  84           HZ3      LYS  84 -25.880   4.720  -5.071
  660    H    GLY  85           H        GLY  85 -19.764   7.781  -4.866
  661    HA2  GLY  85           HA2      GLY  85 -17.279   7.824  -3.463
  662    HA3  GLY  85           HA3      GLY  85 -18.260   9.223  -3.934
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1   4.406  -2.196  -4.586
    2    H2   ALA   1           H2       ALA   1   4.238  -2.631  -3.007
    3    H3   ALA   1           H3       ALA   1   2.908  -2.358  -3.946
    4    HA   ALA   1           HA       ALA   1   3.295  -0.528  -2.444
    5    HB1  ALA   1           HB1      ALA   1   5.890  -0.203  -4.023
    6    HB2  ALA   1           HB2      ALA   1   5.228   0.954  -2.851
    7    HB3  ALA   1           HB3      ALA   1   5.749  -0.650  -2.307
    8    H    GLU   2           H        GLU   2   1.487   0.416  -3.294
    9    HA   GLU   2           HA       GLU   2   1.592   1.774  -5.857
   10    HB2  GLU   2           HB2      GLU   2  -0.211   0.515  -6.867
   11    HB3  GLU   2           HB3      GLU   2   1.125  -0.572  -6.541
   12    HG2  GLU   2           HG2      GLU   2  -1.438  -0.359  -4.917
   13    HG3  GLU   2           HG3      GLU   2  -1.068  -1.587  -6.113
   14    H    HIS   3           H        HIS   3  -0.410   2.982  -6.218
   15    HA   HIS   3           HA       HIS   3  -2.417   3.089  -4.073
   16    HB2  HIS   3           HB2      HIS   3  -0.783   5.483  -5.037
   17    HB3  HIS   3           HB3      HIS   3  -2.390   5.652  -4.343
   18    HD1  HIS   3           HD1      HIS   3  -2.640   5.053  -1.672
   19    HD2  HIS   3           HD2      HIS   3   1.229   5.123  -3.320
   20    HE1  HIS   3           HE1      HIS   3  -1.029   5.161   0.293
   21    H    TRP   4           H        TRP   4  -4.432   3.696  -4.950
   22    HA   TRP   4           HA       TRP   4  -4.612   3.795  -7.930
   23    HB2  TRP   4           HB2      TRP   4  -6.587   2.914  -5.775
   24    HB3  TRP   4           HB3      TRP   4  -7.025   3.165  -7.440
   25    HD1  TRP   4           HD1      TRP   4  -4.620   0.913  -5.408
   26    HE1  TRP   4           HE1      TRP   4  -4.441  -1.365  -6.534
   27    HE3  TRP   4           HE3      TRP   4  -7.522   1.835  -9.529
   28    HZ2  TRP   4           HZ2      TRP   4  -5.380  -2.628  -8.979
   29    HZ3  TRP   4           HZ3      TRP   4  -7.889   0.064 -11.218
   30    HH2  TRP   4           HH2      TRP   4  -6.802  -2.158 -10.972
   31    H    ILE   5           H        ILE   5  -5.063   5.824  -8.681
   32    HA   ILE   5           HA       ILE   5  -6.585   7.665  -6.898
   33    HB   ILE   5           HB       ILE   5  -4.333   8.457  -8.781
   34   HG12  ILE   5          HG12      ILE   5  -3.482   9.269  -6.289
   35   HG13  ILE   5          HG13      ILE   5  -4.289   7.778  -5.851
   36   HG21  ILE   5          HG21      ILE   5  -6.057  10.167  -8.563
   37   HG22  ILE   5          HG22      ILE   5  -6.013  10.039  -6.800
   38   HG23  ILE   5          HG23      ILE   5  -4.609  10.672  -7.703
   39   HD11  ILE   5          HD11      ILE   5  -1.893   7.430  -6.314
   40   HD12  ILE   5          HD12      ILE   5  -2.871   6.541  -7.498
   41   HD13  ILE   5          HD13      ILE   5  -2.104   8.077  -7.952
   42    H    ASP   6           H        ASP   6  -8.483   8.170  -7.745
   43    HA   ASP   6           HA       ASP   6  -9.065   7.900 -10.623
   44    HB2  ASP   6           HB2      ASP   6 -10.762   7.543  -8.720
   45    HB3  ASP   6           HB3      ASP   6 -10.713   9.278  -8.459
   46    H    VAL   7           H        VAL   7  -8.572   9.650 -12.003
   47    HA   VAL   7           HA       VAL   7  -7.969  12.278 -10.696
   48    HB   VAL   7           HB       VAL   7  -6.360  12.715 -12.441
   49   HG11  VAL   7          HG11      VAL   7  -4.590  11.174 -11.774
   50   HG12  VAL   7          HG12      VAL   7  -5.559  11.602 -10.363
   51   HG13  VAL   7          HG13      VAL   7  -5.774  10.020 -11.129
   52   HG21  VAL   7          HG21      VAL   7  -5.640  11.123 -14.027
   53   HG22  VAL   7          HG22      VAL   7  -6.666   9.832 -13.365
   54   HG23  VAL   7          HG23      VAL   7  -7.396  11.213 -14.205
   55    H    ARG   8           H        ARG   8 -10.555  11.000 -11.999
   56    HA   ARG   8           HA       ARG   8 -11.209  12.934 -14.067
   57    HB2  ARG   8           HB2      ARG   8 -13.277  12.065 -14.121
   58    HB3  ARG   8           HB3      ARG   8 -12.357  10.677 -13.550
   59    HG2  ARG   8           HG2      ARG   8 -13.124  11.188 -11.201
   60    HG3  ARG   8           HG3      ARG   8 -14.084  12.498 -11.875
   61    HD2  ARG   8           HD2      ARG   8 -15.606  10.752 -11.826
   62    HD3  ARG   8           HD3      ARG   8 -15.084  10.755 -13.506
   63    HE   ARG   8           HE       ARG   8 -13.470   9.015 -11.861
   64   HH11  ARG   8          HH11      ARG   8 -16.738   9.016 -13.397
   65   HH12  ARG   8          HH12      ARG   8 -17.311   7.735 -12.378
   66   HH21  ARG   8          HH21      ARG   8 -14.161   7.351 -10.763
   67   HH22  ARG   8          HH22      ARG   8 -15.849   6.899 -10.737
   68    H    VAL   9           H        VAL   9 -12.891  14.575 -13.800
   69    HA   VAL   9           HA       VAL   9 -12.019  16.526 -12.009
   70    HB   VAL   9           HB       VAL   9 -14.036  17.805 -12.728
   71   HG11  VAL   9          HG11      VAL   9 -13.370  17.996 -15.059
   72   HG12  VAL   9          HG12      VAL   9 -11.934  17.783 -14.049
   73   HG13  VAL   9          HG13      VAL   9 -12.555  16.424 -15.010
   74   HG21  VAL   9          HG21      VAL   9 -14.752  15.307 -14.323
   75   HG22  VAL   9          HG22      VAL   9 -15.671  15.985 -12.955
   76   HG23  VAL   9          HG23      VAL   9 -15.517  16.902 -14.455
   77    HA   PRO  10           HA       PRO  10 -13.538  15.277  -8.224
   78    HB2  PRO  10           HB2      PRO  10 -14.322  17.534  -6.832
   79    HB3  PRO  10           HB3      PRO  10 -12.629  17.104  -7.204
   80    HG2  PRO  10           HG2      PRO  10 -14.452  19.004  -8.704
   81    HG3  PRO  10           HG3      PRO  10 -12.728  19.250  -8.224
   82    HD2  PRO  10           HD2      PRO  10 -13.460  18.489 -10.726
   83    HD3  PRO  10           HD3      PRO  10 -11.968  17.875  -9.974
   84    H    GLU  11           H        GLU  11 -15.936  17.331  -9.893
   85    HA   GLU  11           HA       GLU  11 -18.201  16.475  -8.332
   86    HB2  GLU  11           HB2      GLU  11 -17.854  17.722 -11.075
   87    HB3  GLU  11           HB3      GLU  11 -19.448  17.304 -10.404
   88    HG2  GLU  11           HG2      GLU  11 -18.976  18.754  -8.430
   89    HG3  GLU  11           HG3      GLU  11 -17.416  19.195  -9.125
   90    H    GLN  12           H        GLN  12 -16.410  14.908 -10.966
   91    HA   GLN  12           HA       GLN  12 -18.702  13.150 -11.619
   92    HB2  GLN  12           HB2      GLN  12 -15.872  13.409 -12.765
   93    HB3  GLN  12           HB3      GLN  12 -16.954  12.054 -13.111
   94    HG2  GLN  12           HG2      GLN  12 -18.665  13.547 -14.010
   95    HG3  GLN  12           HG3      GLN  12 -17.659  14.951 -13.669
   96   HE21  GLN  12          HE22      GLN  12 -18.197  15.103 -16.156
   97   HE22  GLN  12          HE21      GLN  12 -17.013  14.388 -17.220
   98    H    TYR  13           H        TYR  13 -15.525  13.207  -9.941
   99    HA   TYR  13           HA       TYR  13 -15.356  10.488  -9.326
  100    HB2  TYR  13           HB2      TYR  13 -13.422  11.535  -8.758
  101    HB3  TYR  13           HB3      TYR  13 -14.221  13.013  -8.265
  102    HD1  TYR  13           HD1      TYR  13 -13.566   9.485  -7.091
  103    HD2  TYR  13           HD2      TYR  13 -14.506  13.559  -6.003
  104    HE1  TYR  13           HE1      TYR  13 -13.141   8.958  -4.716
  105    HE2  TYR  13           HE2      TYR  13 -14.148  13.014  -3.620
  106    HH   TYR  13           HH       TYR  13 -13.500  11.374  -2.087
  107    H    GLN  14           H        GLN  14 -17.087  13.090  -7.585
  108    HA   GLN  14           HA       GLN  14 -17.861  11.612  -5.331
  109    HB2  GLN  14           HB2      GLN  14 -19.098  13.974  -6.771
  110    HB3  GLN  14           HB3      GLN  14 -19.812  13.308  -5.295
  111    HG2  GLN  14           HG2      GLN  14 -17.862  13.756  -3.988
  112    HG3  GLN  14           HG3      GLN  14 -16.876  14.090  -5.403
  113   HE21  GLN  14          HE22      GLN  14 -16.904  16.118  -6.347
  114   HE22  GLN  14          HE21      GLN  14 -17.764  17.494  -5.660
  115    H    GLN  15           H        GLN  15 -19.186  11.400  -8.620
  116    HA   GLN  15           HA       GLN  15 -21.767  10.444  -7.807
  117    HB2  GLN  15           HB2      GLN  15 -20.392   9.997 -10.490
  118    HB3  GLN  15           HB3      GLN  15 -22.117   9.921 -10.143
  119    HG2  GLN  15           HG2      GLN  15 -20.337  12.386 -10.187
  120    HG3  GLN  15           HG3      GLN  15 -21.648  12.013 -11.277
  121   HE21  GLN  15          HE22      GLN  15 -20.926  14.167  -9.045
  122   HE22  GLN  15          HE21      GLN  15 -22.468  14.383  -8.229
  123    H    GLU  16           H        GLU  16 -18.812   8.719  -9.013
  124    HA   GLU  16           HA       GLU  16 -19.107   6.714  -7.065
  125    HB2  GLU  16           HB2      GLU  16 -19.554   4.759  -8.249
  126    HB3  GLU  16           HB3      GLU  16 -20.839   5.834  -8.729
  127    HG2  GLU  16           HG2      GLU  16 -18.377   5.087 -10.361
  128    HG3  GLU  16           HG3      GLU  16 -20.000   4.476 -10.586
  129    H    HIS  17           H        HIS  17 -17.154   5.335  -7.056
  130    HA   HIS  17           HA       HIS  17 -15.266   5.538  -9.239
  131    HB2  HIS  17           HB2      HIS  17 -13.439   6.464  -8.086
  132    HB3  HIS  17           HB3      HIS  17 -14.762   7.568  -7.777
  133    HD1  HIS  17           HD1      HIS  17 -16.079   6.227  -5.203
  134    HD2  HIS  17           HD2      HIS  17 -11.945   6.503  -5.998
  135    HE1  HIS  17           HE1      HIS  17 -14.903   6.154  -2.946
  136    H    VAL  18           H        VAL  18 -13.474   3.945  -8.894
  137    HA   VAL  18           HA       VAL  18 -14.449   1.462  -7.950
  138    HB   VAL  18           HB       VAL  18 -11.546   2.245  -8.468
  139   HG11  VAL  18          HG11      VAL  18 -11.818   0.009  -7.475
  140   HG12  VAL  18          HG12      VAL  18 -13.035  -0.407  -8.703
  141   HG13  VAL  18          HG13      VAL  18 -11.340  -0.122  -9.167
  142   HG21  VAL  18          HG21      VAL  18 -12.880   2.919 -10.454
  143   HG22  VAL  18          HG22      VAL  18 -11.915   1.503 -10.808
  144   HG23  VAL  18          HG23      VAL  18 -13.652   1.317 -10.486
  145    H    GLN  19           H        GLN  19 -14.022   0.292  -6.048
  146    HA   GLN  19           HA       GLN  19 -13.615   1.721  -3.616
  147    HB2  GLN  19           HB2      GLN  19 -13.402  -1.245  -4.306
  148    HB3  GLN  19           HB3      GLN  19 -13.214  -0.614  -2.667
  149    HG2  GLN  19           HG2      GLN  19 -15.480   0.436  -2.848
  150    HG3  GLN  19           HG3      GLN  19 -15.724  -0.421  -4.374
  151   HE21  GLN  19          HE22      GLN  19 -17.378  -0.753  -2.019
  152   HE22  GLN  19          HE21      GLN  19 -17.170  -2.389  -1.449
  153    H    GLY  20           H        GLY  20 -11.898   1.521  -2.064
  154    HA2  GLY  20           HA2      GLY  20  -9.764   1.406  -1.285
  155    HA3  GLY  20           HA3      GLY  20  -9.443   0.214  -2.552
  156    H    ALA  21           H        ALA  21 -10.305   3.709  -2.837
  157    HA   ALA  21           HA       ALA  21  -7.680   4.315  -4.066
  158    HB1  ALA  21           HB1      ALA  21  -9.185   3.558  -5.896
  159    HB2  ALA  21           HB2      ALA  21 -10.385   4.767  -5.399
  160    HB3  ALA  21           HB3      ALA  21  -8.816   5.283  -6.042
  161    H    ILE  22           H        ILE  22  -7.800   6.725  -4.768
  162    HA   ILE  22           HA       ILE  22  -9.245   8.471  -2.859
  163    HB   ILE  22           HB       ILE  22  -6.961   8.085  -2.008
  164   HG12  ILE  22          HG12      ILE  22  -7.245  10.923  -3.075
  165   HG13  ILE  22          HG13      ILE  22  -8.020  10.274  -1.621
  166   HG21  ILE  22          HG21      ILE  22  -5.892   9.319  -4.576
  167   HG22  ILE  22          HG22      ILE  22  -4.944   8.737  -3.195
  168   HG23  ILE  22          HG23      ILE  22  -5.829   7.588  -4.167
  169   HD11  ILE  22          HD11      ILE  22  -5.044  10.689  -2.127
  170   HD12  ILE  22          HD12      ILE  22  -6.075  11.521  -0.954
  171   HD13  ILE  22          HD13      ILE  22  -5.690   9.804  -0.719
  172    H    ASN  23           H        ASN  23  -9.127  10.848  -3.885
  173    HA   ASN  23           HA       ASN  23  -8.935  10.661  -6.831
  174    HB2  ASN  23           HB2      ASN  23 -11.227  10.700  -6.554
  175    HB3  ASN  23           HB3      ASN  23 -11.172  11.890  -5.241
  176   HD21  ASN  23          HD22      ASN  23 -10.115  11.704  -8.754
  177   HD22  ASN  23          HD21      ASN  23 -10.850  13.240  -9.170
  178    H    ILE  24           H        ILE  24  -7.750  12.128  -7.737
  179    HA   ILE  24           HA       ILE  24  -7.194  14.696  -6.427
  180    HB   ILE  24           HB       ILE  24  -4.883  13.040  -7.493
  181   HG12  ILE  24          HG12      ILE  24  -5.607  13.342  -4.542
  182   HG13  ILE  24          HG13      ILE  24  -5.727  11.851  -5.460
  183   HG21  ILE  24          HG21      ILE  24  -3.555  14.799  -6.514
  184   HG22  ILE  24          HG22      ILE  24  -4.885  15.600  -7.380
  185   HG23  ILE  24          HG23      ILE  24  -4.952  15.441  -5.624
  186   HD11  ILE  24          HD11      ILE  24  -3.170  13.326  -4.775
  187   HD12  ILE  24          HD12      ILE  24  -3.720  11.737  -4.213
  188   HD13  ILE  24          HD13      ILE  24  -3.265  11.958  -5.912
  189    HA   PRO  25           HA       PRO  25  -8.810  14.596 -10.712
  190    HB2  PRO  25           HB2      PRO  25  -8.948  17.563 -10.166
  191    HB3  PRO  25           HB3      PRO  25 -10.147  16.502 -10.962
  192    HG2  PRO  25           HG2      PRO  25 -10.464  17.272  -8.366
  193    HG3  PRO  25           HG3      PRO  25 -10.832  15.587  -8.864
  194    HD2  PRO  25           HD2      PRO  25  -8.372  16.669  -7.489
  195    HD3  PRO  25           HD3      PRO  25  -9.269  15.158  -7.175
  196    H    LEU  26           H        LEU  26  -7.954  15.217 -12.800
  197    HA   LEU  26           HA       LEU  26  -5.257  15.722 -13.091
  198    HB2  LEU  26           HB2      LEU  26  -6.678  14.888 -14.864
  199    HB3  LEU  26           HB3      LEU  26  -7.545  16.427 -14.961
  200    HG   LEU  26           HG       LEU  26  -5.414  17.523 -15.747
  201   HD11  LEU  26          HD11      LEU  26  -4.389  14.646 -15.854
  202   HD12  LEU  26          HD12      LEU  26  -3.575  16.060 -16.559
  203   HD13  LEU  26          HD13      LEU  26  -3.757  15.937 -14.807
  204   HD21  LEU  26          HD21      LEU  26  -7.150  16.704 -17.322
  205   HD22  LEU  26          HD22      LEU  26  -5.520  16.638 -18.003
  206   HD23  LEU  26          HD23      LEU  26  -6.297  15.151 -17.425
  207    H    LYS  27           H        LYS  27  -7.799  18.216 -12.734
  208    HA   LYS  27           HA       LYS  27  -6.087  20.440 -13.386
  209    HB2  LYS  27           HB2      LYS  27  -8.649  20.352 -11.734
  210    HB3  LYS  27           HB3      LYS  27  -7.858  21.814 -12.335
  211    HG2  LYS  27           HG2      LYS  27  -8.102  20.895 -14.690
  212    HG3  LYS  27           HG3      LYS  27  -9.128  19.619 -14.026
  213    HD2  LYS  27           HD2      LYS  27  -9.650  22.619 -13.859
  214    HD3  LYS  27           HD3      LYS  27 -10.430  21.488 -14.971
  215    HE2  LYS  27           HE2      LYS  27 -11.406  20.254 -13.045
  216    HE3  LYS  27           HE3      LYS  27 -10.639  21.392 -11.927
  217    HZ1  LYS  27           HZ1      LYS  27 -12.682  22.117 -13.949
  218    HZ2  LYS  27           HZ2      LYS  27 -12.939  21.990 -12.345
  219    HZ3  LYS  27           HZ3      LYS  27 -11.968  23.164 -12.918
  220    H    GLU  28           H        GLU  28  -6.116  18.424 -10.607
  221    HA   GLU  28           HA       GLU  28  -4.938  20.539  -8.855
  222    HB2  GLU  28           HB2      GLU  28  -6.551  18.061  -8.119
  223    HB3  GLU  28           HB3      GLU  28  -5.954  19.278  -7.004
  224    HG2  GLU  28           HG2      GLU  28  -8.114  19.652  -9.130
  225    HG3  GLU  28           HG3      GLU  28  -8.364  19.532  -7.404
  226    H    VAL  29           H        VAL  29  -4.580  17.287 -10.197
  227    HA   VAL  29           HA       VAL  29  -3.044  16.111  -8.276
  228    HB   VAL  29           HB       VAL  29  -4.176  15.087 -10.247
  229   HG11  VAL  29          HG11      VAL  29  -1.618  15.673 -11.767
  230   HG12  VAL  29          HG12      VAL  29  -3.038  14.780 -12.344
  231   HG13  VAL  29          HG13      VAL  29  -3.157  16.518 -12.030
  232   HG21  VAL  29          HG21      VAL  29  -2.722  13.176 -10.461
  233   HG22  VAL  29          HG22      VAL  29  -1.341  14.107  -9.848
  234   HG23  VAL  29          HG23      VAL  29  -2.732  13.746  -8.788
  235    H    LYS  30           H        LYS  30  -1.773  18.273 -10.796
  236    HA   LYS  30           HA       LYS  30   0.971  17.793 -10.365
  237    HB2  LYS  30           HB2      LYS  30  -0.083  19.105 -12.224
  238    HB3  LYS  30           HB3      LYS  30  -0.388  20.426 -11.087
  239    HG2  LYS  30           HG2      LYS  30   2.039  20.709 -10.740
  240    HG3  LYS  30           HG3      LYS  30   2.366  19.309 -11.785
  241    HD2  LYS  30           HD2      LYS  30   1.410  20.501 -13.721
  242    HD3  LYS  30           HD3      LYS  30   0.914  21.838 -12.679
  243    HE2  LYS  30           HE2      LYS  30   2.892  22.520 -13.844
  244    HE3  LYS  30           HE3      LYS  30   3.285  22.325 -12.136
  245    HZ1  LYS  30           HZ1      LYS  30   4.310  20.192 -12.684
  246    HZ2  LYS  30           HZ2      LYS  30   3.912  20.358 -14.268
  247    HZ3  LYS  30           HZ3      LYS  30   4.976  21.378 -13.578
  248    H    GLU  31           H        GLU  31  -1.326  19.528  -8.318
  249    HA   GLU  31           HA       GLU  31   0.858  20.794  -6.760
  250    HB2  GLU  31           HB2      GLU  31  -2.175  21.098  -6.642
  251    HB3  GLU  31           HB3      GLU  31  -1.018  22.042  -5.718
  252    HG2  GLU  31           HG2      GLU  31  -1.313  22.072  -8.754
  253    HG3  GLU  31           HG3      GLU  31  -1.880  23.302  -7.637
  254    H    ARG  32           H        ARG  32  -0.888  17.858  -6.685
  255    HA   ARG  32           HA       ARG  32  -0.734  17.756  -3.694
  256    HB2  ARG  32           HB2      ARG  32  -2.941  18.497  -4.393
  257    HB3  ARG  32           HB3      ARG  32  -3.124  17.100  -5.452
  258    HG2  ARG  32           HG2      ARG  32  -3.224  15.591  -3.565
  259    HG3  ARG  32           HG3      ARG  32  -2.737  16.875  -2.437
  260    HD2  ARG  32           HD2      ARG  32  -4.824  18.016  -2.669
  261    HD3  ARG  32           HD3      ARG  32  -5.273  17.078  -4.091
  262    HE   ARG  32           HE       ARG  32  -4.992  15.922  -1.339
  263   HH11  ARG  32          HH21      ARG  32  -7.000  16.242  -4.258
  264   HH12  ARG  32          HH22      ARG  32  -7.861  14.754  -3.981
  265   HH21  ARG  32          HH11      ARG  32  -6.359  14.145  -0.841
  266   HH22  ARG  32          HH12      ARG  32  -7.639  13.703  -1.910
  267    H    ILE  33           H        ILE  33  -0.375  15.835  -6.704
  268    HA   ILE  33           HA       ILE  33  -0.533  13.355  -5.331
  269    HB   ILE  33           HB       ILE  33  -0.647  13.546  -7.752
  270   HG12  ILE  33          HG12      ILE  33   0.763  11.564  -8.344
  271   HG13  ILE  33          HG13      ILE  33   1.554  11.673  -6.787
  272   HG21  ILE  33          HG21      ILE  33   2.372  13.808  -7.908
  273   HG22  ILE  33          HG22      ILE  33   1.172  13.929  -9.215
  274   HG23  ILE  33          HG23      ILE  33   1.308  15.213  -8.026
  275   HD11  ILE  33          HD11      ILE  33  -1.424  11.192  -7.249
  276   HD12  ILE  33          HD12      ILE  33  -0.219   9.954  -6.854
  277   HD13  ILE  33          HD13      ILE  33  -0.609  11.200  -5.662
  278    H    ALA  34           H        ALA  34   2.187  15.638  -5.693
  279    HA   ALA  34           HA       ALA  34   4.206  14.004  -4.588
  280    HB1  ALA  34           HB1      ALA  34   4.619  16.162  -5.715
  281    HB2  ALA  34           HB2      ALA  34   3.839  17.023  -4.363
  282    HB3  ALA  34           HB3      ALA  34   5.348  16.126  -4.096
  283    H    THR  35           H        THR  35   1.566  15.781  -2.968
  284    HA   THR  35           HA       THR  35   2.650  15.391  -0.307
  285    HB   THR  35           HB       THR  35  -0.212  16.076  -1.087
  286    HG1  THR  35           HG1      THR  35   0.455  18.220  -1.210
  287   HG21  THR  35          HG21      THR  35  -0.140  17.425   0.984
  288   HG22  THR  35          HG22      THR  35   0.231  15.730   1.326
  289   HG23  THR  35          HG23      THR  35   1.545  16.924   1.265
  290    H    ALA  36           H        ALA  36   0.078  13.882  -2.349
  291    HA   ALA  36           HA       ALA  36  -0.826  12.102  -0.293
  292    HB1  ALA  36           HB1      ALA  36  -2.233  12.857  -2.176
  293    HB2  ALA  36           HB2      ALA  36  -1.183  11.986  -3.320
  294    HB3  ALA  36           HB3      ALA  36  -2.134  11.086  -2.122
  295    H    VAL  37           H        VAL  37   1.548  11.742  -2.923
  296    HA   VAL  37           HA       VAL  37   2.360   9.072  -1.924
  297    HB   VAL  37           HB       VAL  37   1.890   9.757  -4.858
  298   HG11  VAL  37          HG11      VAL  37   2.605   7.134  -3.457
  299   HG12  VAL  37          HG12      VAL  37   2.266   7.327  -5.191
  300   HG13  VAL  37          HG13      VAL  37   3.690   8.092  -4.484
  301   HG21  VAL  37          HG21      VAL  37  -0.305   9.514  -3.821
  302   HG22  VAL  37          HG22      VAL  37   0.055   8.071  -4.762
  303   HG23  VAL  37          HG23      VAL  37   0.209   8.029  -2.992
  304    HA   PRO  38           HA       PRO  38   5.773  12.163  -2.484
  305    HB2  PRO  38           HB2      PRO  38   7.143  11.696  -0.154
  306    HB3  PRO  38           HB3      PRO  38   5.708  12.759  -0.249
  307    HG2  PRO  38           HG2      PRO  38   5.817   9.852   0.603
  308    HG3  PRO  38           HG3      PRO  38   4.997  11.218   1.426
  309    HD2  PRO  38           HD2      PRO  38   3.659   9.504  -0.217
  310    HD3  PRO  38           HD3      PRO  38   3.253  11.245  -0.159
  311    H    ASP  39           H        ASP  39   5.692   8.694  -1.905
  312    HA   ASP  39           HA       ASP  39   8.480   8.170  -2.498
  313    HB2  ASP  39           HB2      ASP  39   7.190   6.570  -1.220
  314    HB3  ASP  39           HB3      ASP  39   6.032   6.378  -2.539
  315    H    LYS  40           H        LYS  40   9.163   9.024  -4.392
  316    HA   LYS  40           HA       LYS  40   7.601   9.226  -6.761
  317    HB2  LYS  40           HB2      LYS  40  10.636   9.226  -6.566
  318    HB3  LYS  40           HB3      LYS  40   9.657   9.953  -7.833
  319    HG2  LYS  40           HG2      LYS  40   9.872  10.855  -4.927
  320    HG3  LYS  40           HG3      LYS  40  10.538  11.666  -6.323
  321    HD2  LYS  40           HD2      LYS  40   7.549  11.294  -5.785
  322    HD3  LYS  40           HD3      LYS  40   8.464  12.739  -5.401
  323    HE2  LYS  40           HE2      LYS  40   8.142  11.603  -8.218
  324    HE3  LYS  40           HE3      LYS  40   7.148  12.887  -7.531
  325    HZ1  LYS  40           HZ1      LYS  40   8.964  13.775  -8.864
  326    HZ2  LYS  40           HZ2      LYS  40   9.119  14.260  -7.311
  327    HZ3  LYS  40           HZ3      LYS  40  10.084  13.078  -7.905
  328    H    ASN  41           H        ASN  41   8.939   6.403  -5.416
  329    HA   ASN  41           HA       ASN  41   9.079   5.088  -8.071
  330    HB2  ASN  41           HB2      ASN  41  11.192   5.103  -6.692
  331    HB3  ASN  41           HB3      ASN  41  10.328   4.178  -5.461
  332   HD21  ASN  41          HD22      ASN  41  11.064   2.049  -5.589
  333   HD22  ASN  41          HD21      ASN  41  11.308   1.175  -7.078
  334    H    ASP  42           H        ASP  42   6.757   5.719  -5.996
  335    HA   ASP  42           HA       ASP  42   5.631   3.117  -5.396
  336    HB2  ASP  42           HB2      ASP  42   4.940   5.243  -4.293
  337    HB3  ASP  42           HB3      ASP  42   4.290   5.810  -5.842
  338    H    THR  43           H        THR  43   3.987   2.019  -6.597
  339    HA   THR  43           HA       THR  43   4.024   2.442  -9.503
  340    HB   THR  43           HB       THR  43   2.305   0.456  -7.997
  341    HG1  THR  43           HG1      THR  43   4.250  -0.010  -7.263
  342   HG21  THR  43          HG21      THR  43   3.523   0.459 -10.791
  343   HG22  THR  43          HG22      THR  43   2.552  -0.853 -10.082
  344   HG23  THR  43          HG23      THR  43   1.818   0.729 -10.384
  345    H    VAL  44           H        VAL  44   3.131   4.597  -9.492
  346    HA   VAL  44           HA       VAL  44   0.609   5.180  -8.285
  347    HB   VAL  44           HB       VAL  44   1.798   6.656 -10.672
  348   HG11  VAL  44          HG11      VAL  44  -0.485   7.308  -9.831
  349   HG12  VAL  44          HG12      VAL  44   0.234   7.638  -8.243
  350   HG13  VAL  44          HG13      VAL  44   0.713   8.597  -9.659
  351   HG21  VAL  44          HG21      VAL  44   2.968   8.113  -8.990
  352   HG22  VAL  44          HG22      VAL  44   2.638   6.881  -7.753
  353   HG23  VAL  44          HG23      VAL  44   3.669   6.508  -9.155
  354    H    LYS  45           H        LYS  45  -1.264   4.090  -8.863
  355    HA   LYS  45           HA       LYS  45  -1.658   3.335 -11.720
  356    HB2  LYS  45           HB2      LYS  45  -3.090   2.469  -9.174
  357    HB3  LYS  45           HB3      LYS  45  -3.567   2.003 -10.803
  358    HG2  LYS  45           HG2      LYS  45  -1.469   0.821 -11.167
  359    HG3  LYS  45           HG3      LYS  45  -0.826   1.384  -9.612
  360    HD2  LYS  45           HD2      LYS  45  -2.641   0.211  -8.423
  361    HD3  LYS  45           HD3      LYS  45  -3.269  -0.411  -9.953
  362    HE2  LYS  45           HE2      LYS  45  -0.463  -0.959  -8.866
  363    HE3  LYS  45           HE3      LYS  45  -1.854  -2.012  -8.598
  364    HZ1  LYS  45           HZ1      LYS  45  -0.621  -2.842 -10.426
  365    HZ2  LYS  45           HZ2      LYS  45  -2.007  -2.253 -11.045
  366    HZ3  LYS  45           HZ3      LYS  45  -0.591  -1.427 -11.223
  367    H    VAL  46           H        VAL  46  -3.045   4.572 -12.915
  368    HA   VAL  46           HA       VAL  46  -4.833   6.466 -11.462
  369    HB   VAL  46           HB       VAL  46  -4.318   8.130 -13.232
  370   HG11  VAL  46          HG11      VAL  46  -2.259   8.913 -12.228
  371   HG12  VAL  46          HG12      VAL  46  -3.277   8.195 -10.970
  372   HG13  VAL  46          HG13      VAL  46  -1.886   7.291 -11.612
  373   HG21  VAL  46          HG21      VAL  46  -3.323   6.646 -14.977
  374   HG22  VAL  46          HG22      VAL  46  -2.250   7.977 -14.538
  375   HG23  VAL  46          HG23      VAL  46  -1.933   6.346 -13.919
  376    H    TYR  47           H        TYR  47  -6.835   6.817 -12.299
  377    HA   TYR  47           HA       TYR  47  -7.536   5.861 -14.970
  378    HB2  TYR  47           HB2      TYR  47  -9.390   4.498 -14.240
  379    HB3  TYR  47           HB3      TYR  47  -7.900   3.850 -13.586
  380    HD1  TYR  47           HD1      TYR  47  -7.376   4.094 -11.140
  381    HD2  TYR  47           HD2      TYR  47 -11.147   5.380 -12.806
  382    HE1  TYR  47           HE1      TYR  47  -8.345   4.235  -8.860
  383    HE2  TYR  47           HE2      TYR  47 -12.106   5.526 -10.539
  384    HH   TYR  47           HH       TYR  47 -11.684   5.315  -8.232
  385    H    CYS  48           H        CYS  48  -9.967   6.515 -15.279
  386    HA   CYS  48           HA       CYS  48 -11.053   8.472 -13.499
  387    HB2  CYS  48           HB2      CYS  48 -11.057  10.384 -15.141
  388    HB3  CYS  48           HB3      CYS  48  -9.442   9.958 -14.573
  389    HG   CYS  48           HG       CYS  48  -8.858   8.401 -16.581
  390    H    ASN  49           H        ASN  49 -12.851   9.614 -15.445
  391    HA   ASN  49           HA       ASN  49 -14.760   7.549 -15.378
  392    HB2  ASN  49           HB2      ASN  49 -15.016  10.168 -15.565
  393    HB3  ASN  49           HB3      ASN  49 -15.011   9.887 -17.299
  394   HD21  ASN  49          HD22      ASN  49 -16.505   7.855 -17.909
  395   HD22  ASN  49          HD21      ASN  49 -18.083   7.876 -17.152
  396    H    ALA  50           H        ALA  50 -12.953   8.828 -18.176
  397    HA   ALA  50           HA       ALA  50 -13.533   6.345 -19.729
  398    HB1  ALA  50           HB1      ALA  50 -13.566   9.225 -20.738
  399    HB2  ALA  50           HB2      ALA  50 -13.892   7.766 -21.697
  400    HB3  ALA  50           HB3      ALA  50 -15.003   8.230 -20.399
  401    H    GLY  51           H        GLY  51 -11.042   7.404 -18.189
  402    HA2  GLY  51           HA2      GLY  51  -8.882   6.691 -18.443
  403    HA3  GLY  51           HA3      GLY  51  -9.169   6.361 -20.145
  404    H    ARG  52           H        ARG  52 -10.156   9.424 -20.251
  405    HA   ARG  52           HA       ARG  52  -7.626  10.309 -21.367
  406    HB2  ARG  52           HB2      ARG  52 -10.033  12.071 -20.794
  407    HB3  ARG  52           HB3      ARG  52  -8.724  12.359 -21.924
  408    HG2  ARG  52           HG2      ARG  52 -11.073  10.472 -22.200
  409    HG3  ARG  52           HG3      ARG  52 -10.598  11.822 -23.210
  410    HD2  ARG  52           HD2      ARG  52  -9.909  10.148 -24.580
  411    HD3  ARG  52           HD3      ARG  52  -8.421  10.325 -23.640
  412    HE   ARG  52           HE       ARG  52 -10.461   8.413 -22.646
  413   HH11  ARG  52          HH21      ARG  52  -7.467   8.709 -24.543
  414   HH12  ARG  52          HH22      ARG  52  -7.064   7.039 -24.390
  415   HH21  ARG  52          HH11      ARG  52  -9.967   6.295 -22.446
  416   HH22  ARG  52          HH12      ARG  52  -8.550   5.594 -23.173
  417    H    GLN  53           H        GLN  53  -9.285  11.385 -18.386
  418    HA   GLN  53           HA       GLN  53  -7.263  13.311 -17.849
  419    HB2  GLN  53           HB2      GLN  53  -9.005  11.870 -15.807
  420    HB3  GLN  53           HB3      GLN  53  -7.942  13.208 -15.475
  421    HG2  GLN  53           HG2      GLN  53 -10.004  14.247 -15.585
  422    HG3  GLN  53           HG3      GLN  53  -9.322  14.561 -17.183
  423   HE21  GLN  53          HE22      GLN  53 -10.265  13.437 -19.028
  424   HE22  GLN  53          HE21      GLN  53 -11.790  12.584 -18.890
  425    H    SER  54           H        SER  54  -7.383   9.809 -17.225
  426    HA   SER  54           HA       SER  54  -5.003   9.837 -15.556
  427    HB2  SER  54           HB2      SER  54  -5.215   7.273 -16.103
  428    HB3  SER  54           HB3      SER  54  -6.291   8.107 -14.980
  429    HG   SER  54           HG       SER  54  -6.847   7.395 -17.667
  430    H    GLY  55           H        GLY  55  -5.559   9.099 -19.049
  431    HA2  GLY  55           HA2      GLY  55  -2.835   8.404 -19.608
  432    HA3  GLY  55           HA3      GLY  55  -4.025   9.050 -20.759
  433    H    GLN  56           H        GLN  56  -4.630  11.497 -19.649
  434    HA   GLN  56           HA       GLN  56  -2.523  13.263 -20.335
  435    HB2  GLN  56           HB2      GLN  56  -5.171  13.437 -18.867
  436    HB3  GLN  56           HB3      GLN  56  -4.102  14.855 -18.946
  437    HG2  GLN  56           HG2      GLN  56  -4.171  14.777 -21.402
  438    HG3  GLN  56           HG3      GLN  56  -5.150  13.311 -21.361
  439   HE21  GLN  56          HE22      GLN  56  -5.283  16.750 -21.418
  440   HE22  GLN  56          HE21      GLN  56  -6.979  16.923 -21.046
  441    H    ALA  57           H        ALA  57  -3.660  12.171 -17.056
  442    HA   ALA  57           HA       ALA  57  -1.797  13.680 -15.599
  443    HB1  ALA  57           HB1      ALA  57  -3.752  12.641 -14.554
  444    HB2  ALA  57           HB2      ALA  57  -3.068  11.019 -14.844
  445    HB3  ALA  57           HB3      ALA  57  -2.263  12.144 -13.734
  446    H    LYS  58           H        LYS  58  -1.426  10.389 -17.041
  447    HA   LYS  58           HA       LYS  58   1.012   9.768 -15.774
  448    HB2  LYS  58           HB2      LYS  58  -0.236   8.100 -16.974
  449    HB3  LYS  58           HB3      LYS  58  -0.015   8.940 -18.518
  450    HG2  LYS  58           HG2      LYS  58   2.293   8.434 -18.620
  451    HG3  LYS  58           HG3      LYS  58   2.386   8.048 -16.900
  452    HD2  LYS  58           HD2      LYS  58   1.083   5.998 -17.238
  453    HD3  LYS  58           HD3      LYS  58   0.892   6.376 -18.967
  454    HE2  LYS  58           HE2      LYS  58   3.284   6.223 -19.344
  455    HE3  LYS  58           HE3      LYS  58   3.615   6.108 -17.612
  456    HZ1  LYS  58           HZ1      LYS  58   3.716   3.960 -18.761
  457    HZ2  LYS  58           HZ2      LYS  58   2.615   3.952 -17.559
  458    HZ3  LYS  58           HZ3      LYS  58   2.133   4.045 -19.137
  459    H    GLU  59           H        GLU  59   0.473  11.958 -18.553
  460    HA   GLU  59           HA       GLU  59   3.234  12.095 -19.299
  461    HB2  GLU  59           HB2      GLU  59   1.037  14.189 -19.619
  462    HB3  GLU  59           HB3      GLU  59   2.627  14.232 -20.383
  463    HG2  GLU  59           HG2      GLU  59   2.117  12.044 -21.502
  464    HG3  GLU  59           HG3      GLU  59   0.487  12.109 -20.831
  465    H    ILE  60           H        ILE  60   1.263  14.321 -17.146
  466    HA   ILE  60           HA       ILE  60   3.591  15.823 -16.465
  467    HB   ILE  60           HB       ILE  60   2.143  16.840 -14.753
  468   HG12  ILE  60          HG12      ILE  60   0.042  14.877 -15.732
  469   HG13  ILE  60          HG13      ILE  60   0.778  14.880 -14.116
  470   HG21  ILE  60          HG21      ILE  60   0.770  16.620 -17.469
  471   HG22  ILE  60          HG22      ILE  60   0.740  17.999 -16.350
  472   HG23  ILE  60          HG23      ILE  60   2.241  17.569 -17.163
  473   HD11  ILE  60          HD11      ILE  60  -1.016  17.036 -15.283
  474   HD12  ILE  60          HD12      ILE  60  -1.445  15.812 -14.092
  475   HD13  ILE  60          HD13      ILE  60  -0.255  17.062 -13.657
  476    H    LEU  61           H        LEU  61   2.137  12.905 -15.003
  477    HA   LEU  61           HA       LEU  61   3.705  12.990 -12.593
  478    HB2  LEU  61           HB2      LEU  61   2.473  10.720 -14.194
  479    HB3  LEU  61           HB3      LEU  61   3.323  10.457 -12.669
  480    HG   LEU  61           HG       LEU  61   0.945  12.342 -12.859
  481   HD11  LEU  61          HD11      LEU  61   0.940   9.374 -12.154
  482   HD12  LEU  61          HD12      LEU  61  -0.427  10.494 -11.953
  483   HD13  LEU  61          HD13      LEU  61   0.171  10.125 -13.572
  484   HD21  LEU  61          HD21      LEU  61   2.415  12.566 -10.860
  485   HD22  LEU  61          HD22      LEU  61   0.790  11.987 -10.483
  486   HD23  LEU  61          HD23      LEU  61   2.161  10.850 -10.498
  487    H    SER  62           H        SER  62   4.342  11.686 -15.878
  488    HA   SER  62           HA       SER  62   6.897  10.558 -15.211
  489    HB2  SER  62           HB2      SER  62   5.875  11.551 -17.907
  490    HB3  SER  62           HB3      SER  62   7.230  10.447 -17.622
  491    HG   SER  62           HG       SER  62   4.462  10.032 -17.138
  492    H    GLU  63           H        GLU  63   5.883  13.797 -16.484
  493    HA   GLU  63           HA       GLU  63   8.532  14.843 -16.691
  494    HB2  GLU  63           HB2      GLU  63   5.829  16.180 -16.279
  495    HB3  GLU  63           HB3      GLU  63   7.317  17.088 -16.510
  496    HG2  GLU  63           HG2      GLU  63   6.234  15.068 -18.521
  497    HG3  GLU  63           HG3      GLU  63   5.948  16.800 -18.587
  498    H    MET  64           H        MET  64   6.244  14.733 -13.933
  499    HA   MET  64           HA       MET  64   8.009  16.161 -12.131
  500    HB2  MET  64           HB2      MET  64   5.530  14.451 -11.705
  501    HB3  MET  64           HB3      MET  64   6.430  15.195 -10.377
  502    HG2  MET  64           HG2      MET  64   6.177  17.422 -11.453
  503    HG3  MET  64           HG3      MET  64   5.141  16.706 -12.677
  504    HE1  MET  64           HE1      MET  64   2.744  15.698 -12.199
  505    HE2  MET  64           HE2      MET  64   3.332  14.643 -10.888
  506    HE3  MET  64           HE3      MET  64   1.947  15.715 -10.610
  507    H    GLY  65           H        GLY  65   8.430  13.122 -13.530
  508    HA2  GLY  65           HA2      GLY  65  10.306  11.870 -13.219
  509    HA3  GLY  65           HA3      GLY  65  10.640  12.703 -11.698
  510    H    TYR  66           H        TYR  66   7.437  11.199 -12.030
  511    HA   TYR  66           HA       TYR  66   8.081   9.195 -10.000
  512    HB2  TYR  66           HB2      TYR  66   5.674   9.631 -11.800
  513    HB3  TYR  66           HB3      TYR  66   5.856   8.205 -10.788
  514    HD1  TYR  66           HD1      TYR  66   5.372  11.892 -10.716
  515    HD2  TYR  66           HD2      TYR  66   5.720   8.293  -8.362
  516    HE1  TYR  66           HE1      TYR  66   4.576  13.124  -8.721
  517    HE2  TYR  66           HE2      TYR  66   4.922   9.513  -6.365
  518    HH   TYR  66           HH       TYR  66   4.236  11.550  -5.505
  519    H    THR  67           H        THR  67   8.925   7.156 -10.380
  520    HA   THR  67           HA       THR  67  10.395   6.883 -12.778
  521    HB   THR  67           HB       THR  67  11.001   4.644 -11.822
  522    HG1  THR  67           HG1      THR  67  10.085   4.107  -9.830
  523   HG21  THR  67          HG21      THR  67  12.093   5.482  -9.802
  524   HG22  THR  67          HG22      THR  67  12.177   6.720 -11.066
  525   HG23  THR  67          HG23      THR  67  11.008   6.887  -9.738
  526    H    HIS  68           H        HIS  68   7.272   5.504 -11.821
  527    HA   HIS  68           HA       HIS  68   6.692   4.778 -14.560
  528    HB2  HIS  68           HB2      HIS  68   6.107   2.479 -14.134
  529    HB3  HIS  68           HB3      HIS  68   7.814   2.727 -13.827
  530    HD1  HIS  68           HD1      HIS  68   6.126   0.261 -12.674
  531    HD2  HIS  68           HD2      HIS  68   7.199   3.776 -10.612
  532    HE1  HIS  68           HE1      HIS  68   6.172  -0.332 -10.199
  533    H    VAL  69           H        VAL  69   4.445   4.322 -14.851
  534    HA   VAL  69           HA       VAL  69   2.544   4.927 -12.712
  535    HB   VAL  69           HB       VAL  69   2.765   6.546 -15.289
  536   HG11  VAL  69          HG11      VAL  69   0.423   6.280 -14.598
  537   HG12  VAL  69          HG12      VAL  69   0.819   6.852 -12.962
  538   HG13  VAL  69          HG13      VAL  69   0.940   7.942 -14.358
  539   HG21  VAL  69          HG21      VAL  69   3.293   7.537 -12.464
  540   HG22  VAL  69          HG22      VAL  69   4.494   7.368 -13.768
  541   HG23  VAL  69          HG23      VAL  69   3.201   8.531 -13.940
  542    H    GLU  70           H        GLU  70   0.500   3.964 -13.337
  543    HA   GLU  70           HA       GLU  70   0.481   2.488 -15.948
  544    HB2  GLU  70           HB2      GLU  70  -0.422   1.481 -13.219
  545    HB3  GLU  70           HB3      GLU  70  -0.637   0.645 -14.763
  546    HG2  GLU  70           HG2      GLU  70   1.881   0.625 -15.013
  547    HG3  GLU  70           HG3      GLU  70   2.001   1.246 -13.360
  548    H    ASN  71           H        ASN  71  -1.292   3.124 -17.130
  549    HA   ASN  71           HA       ASN  71  -3.539   4.418 -15.746
  550    HB2  ASN  71           HB2      ASN  71  -3.176   5.326 -17.919
  551    HB3  ASN  71           HB3      ASN  71  -3.126   3.715 -18.662
  552   HD21  ASN  71          HD22      ASN  71  -5.506   5.038 -16.191
  553   HD22  ASN  71          HD21      ASN  71  -6.889   4.771 -17.220
  554    H    ALA  72           H        ALA  72  -4.663   3.017 -14.483
  555    HA   ALA  72           HA       ALA  72  -4.643   0.186 -14.839
  556    HB1  ALA  72           HB1      ALA  72  -6.323   0.179 -13.049
  557    HB2  ALA  72           HB2      ALA  72  -4.989   1.278 -12.656
  558    HB3  ALA  72           HB3      ALA  72  -6.548   1.933 -13.215
  559    H    GLY  73           H        GLY  73  -6.807   2.705 -16.088
  560    HA2  GLY  73           HA2      GLY  73  -7.886   1.564 -18.243
  561    HA3  GLY  73           HA3      GLY  73  -8.849   0.792 -16.968
  562    H    GLY  74           H        GLY  74 -10.756   1.836 -17.498
  563    HA2  GLY  74           HA2      GLY  74 -10.968   4.601 -16.478
  564    HA3  GLY  74           HA3      GLY  74 -11.839   4.146 -17.958
  565    H    LEU  75           H        LEU  75 -13.210   4.934 -15.678
  566    HA   LEU  75           HA       LEU  75 -13.747   3.227 -13.660
  567    HB2  LEU  75           HB2      LEU  75 -14.546   5.546 -13.918
  568    HB3  LEU  75           HB3      LEU  75 -15.761   5.044 -15.077
  569    HG   LEU  75           HG       LEU  75 -16.542   5.553 -12.766
  570   HD11  LEU  75          HD11      LEU  75 -17.271   2.706 -13.507
  571   HD12  LEU  75          HD12      LEU  75 -18.200   3.871 -12.566
  572   HD13  LEU  75          HD13      LEU  75 -17.917   4.165 -14.285
  573   HD21  LEU  75          HD21      LEU  75 -15.301   2.914 -11.916
  574   HD22  LEU  75          HD22      LEU  75 -14.609   4.512 -11.567
  575   HD23  LEU  75          HD23      LEU  75 -16.200   4.078 -10.918
  576    H    LYS  76           H        LYS  76 -15.563   3.166 -16.765
  577    HA   LYS  76           HA       LYS  76 -17.279   1.010 -15.949
  578    HB2  LYS  76           HB2      LYS  76 -17.785   2.711 -17.712
  579    HB3  LYS  76           HB3      LYS  76 -16.564   1.970 -18.759
  580    HG2  LYS  76           HG2      LYS  76 -17.857  -0.136 -18.801
  581    HG3  LYS  76           HG3      LYS  76 -19.038   0.551 -17.667
  582    HD2  LYS  76           HD2      LYS  76 -19.624   2.291 -19.337
  583    HD3  LYS  76           HD3      LYS  76 -18.431   1.608 -20.466
  584    HE2  LYS  76           HE2      LYS  76 -19.662  -0.552 -20.451
  585    HE3  LYS  76           HE3      LYS  76 -20.847   0.126 -19.328
  586    HZ1  LYS  76           HZ1      LYS  76 -21.459   1.728 -21.046
  587    HZ2  LYS  76           HZ2      LYS  76 -20.363   1.100 -22.085
  588    HZ3  LYS  76           HZ3      LYS  76 -21.638   0.209 -21.603
  589    H    ASP  77           H        ASP  77 -14.101   1.110 -17.543
  590    HA   ASP  77           HA       ASP  77 -14.239  -1.601 -18.573
  591    HB2  ASP  77           HB2      ASP  77 -12.914   0.117 -19.698
  592    HB3  ASP  77           HB3      ASP  77 -11.928   0.351 -18.253
  593    H    ILE  78           H        ILE  78 -12.833  -0.030 -15.682
  594    HA   ILE  78           HA       ILE  78 -11.328  -2.302 -14.782
  595    HB   ILE  78           HB       ILE  78 -12.408   0.171 -13.368
  596   HG12  ILE  78          HG12      ILE  78  -9.535  -0.558 -14.121
  597   HG13  ILE  78          HG13      ILE  78 -10.585   0.346 -15.201
  598   HG21  ILE  78          HG21      ILE  78 -10.767  -0.430 -11.527
  599   HG22  ILE  78          HG22      ILE  78 -12.139  -1.519 -11.640
  600   HG23  ILE  78          HG23      ILE  78 -10.550  -2.009 -12.290
  601   HD11  ILE  78          HD11      ILE  78  -9.688   1.279 -12.452
  602   HD12  ILE  78          HD12      ILE  78  -9.181   1.886 -14.033
  603   HD13  ILE  78          HD13      ILE  78 -10.855   2.127 -13.496
  604    H    ALA  79           H        ALA  79 -12.058  -4.169 -13.911
  605    HA   ALA  79           HA       ALA  79 -14.889  -4.638 -13.808
  606    HB1  ALA  79           HB1      ALA  79 -13.253  -6.291 -14.650
  607    HB2  ALA  79           HB2      ALA  79 -12.551  -6.433 -13.018
  608    HB3  ALA  79           HB3      ALA  79 -14.220  -6.956 -13.322
  609    H    MET  80           H        MET  80 -12.618  -3.700 -11.334
  610    HA   MET  80           HA       MET  80 -13.780  -5.026  -9.098
  611    HB2  MET  80           HB2      MET  80 -12.079  -2.512  -9.335
  612    HB3  MET  80           HB3      MET  80 -12.563  -3.198  -7.785
  613    HG2  MET  80           HG2      MET  80 -11.566  -5.417  -8.631
  614    HG3  MET  80           HG3      MET  80 -10.811  -4.468  -9.908
  615    HE1  MET  80           HE1      MET  80 -10.090  -1.703  -8.053
  616    HE2  MET  80           HE2      MET  80  -8.388  -2.128  -7.815
  617    HE3  MET  80           HE3      MET  80  -9.158  -2.415  -9.393
  618    HA   PRO  81           HA       PRO  81 -17.464  -2.784  -8.322
  619    HB2  PRO  81           HB2      PRO  81 -17.696  -2.758  -5.573
  620    HB3  PRO  81           HB3      PRO  81 -17.882  -4.227  -6.579
  621    HG2  PRO  81           HG2      PRO  81 -15.390  -3.262  -5.141
  622    HG3  PRO  81           HG3      PRO  81 -16.133  -4.897  -5.083
  623    HD2  PRO  81           HD2      PRO  81 -14.065  -4.366  -6.719
  624    HD3  PRO  81           HD3      PRO  81 -15.420  -5.374  -7.300
  625    H    LYS  82           H        LYS  82 -18.475  -0.874  -7.196
  626    HA   LYS  82           HA       LYS  82 -16.525   1.356  -6.922
  627    HB2  LYS  82           HB2      LYS  82 -19.141   1.333  -8.516
  628    HB3  LYS  82           HB3      LYS  82 -18.207   2.765  -8.129
  629    HG2  LYS  82           HG2      LYS  82 -17.599   2.380 -10.287
  630    HG3  LYS  82           HG3      LYS  82 -16.244   1.692  -9.389
  631    HD2  LYS  82           HD2      LYS  82 -17.288  -0.588  -9.746
  632    HD3  LYS  82           HD3      LYS  82 -18.555   0.182 -10.710
  633    HE2  LYS  82           HE2      LYS  82 -16.931   0.914 -12.365
  634    HE3  LYS  82           HE3      LYS  82 -15.581   0.476 -11.309
  635    HZ1  LYS  82           HZ1      LYS  82 -15.874  -1.198 -12.964
  636    HZ2  LYS  82           HZ2      LYS  82 -16.205  -1.818 -11.499
  637    HZ3  LYS  82           HZ3      LYS  82 -17.446  -1.461 -12.537
  638    H    VAL  83           H        VAL  83 -17.311   3.189  -5.761
  639    HA   VAL  83           HA       VAL  83 -19.813   2.992  -4.225
  640    HB   VAL  83           HB       VAL  83 -18.563   3.684  -2.144
  641   HG11  VAL  83          HG11      VAL  83 -17.940   1.446  -1.445
  642   HG12  VAL  83          HG12      VAL  83 -19.417   1.389  -2.420
  643   HG13  VAL  83          HG13      VAL  83 -17.869   0.898  -3.137
  644   HG21  VAL  83          HG21      VAL  83 -16.412   4.360  -3.145
  645   HG22  VAL  83          HG22      VAL  83 -16.184   3.133  -1.896
  646   HG23  VAL  83          HG23      VAL  83 -16.073   2.684  -3.610
  647    H    LYS  84           H        LYS  84 -20.302   5.176  -3.241
  648    HA   LYS  84           HA       LYS  84 -19.861   7.344  -5.086
  649    HB2  LYS  84           HB2      LYS  84 -21.051   7.084  -2.314
  650    HB3  LYS  84           HB3      LYS  84 -20.573   8.672  -2.883
  651    HG2  LYS  84           HG2      LYS  84 -22.890   8.403  -3.373
  652    HG3  LYS  84           HG3      LYS  84 -21.974   8.493  -4.864
  653    HD2  LYS  84           HD2      LYS  84 -23.691   6.872  -5.156
  654    HD3  LYS  84           HD3      LYS  84 -22.168   5.986  -5.091
  655    HE2  LYS  84           HE2      LYS  84 -22.619   5.425  -2.691
  656    HE3  LYS  84           HE3      LYS  84 -24.103   6.377  -2.752
  657    HZ1  LYS  84           HZ1      LYS  84 -24.550   4.025  -3.037
  658    HZ2  LYS  84           HZ2      LYS  84 -24.974   4.823  -4.389
  659    HZ3  LYS  84           HZ3      LYS  84 -23.602   3.935  -4.359
  660    H    GLY  85           H        GLY  85 -18.601   9.243  -4.801
  661    HA2  GLY  85           HA2      GLY  85 -15.971   8.794  -3.554
  662    HA3  GLY  85           HA3      GLY  85 -16.481  10.204  -4.487
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1   5.511   0.013  -3.740
    2    H2   ALA   1           H2       ALA   1   4.995   1.209  -2.748
    3    H3   ALA   1           H3       ALA   1   5.602  -0.195  -2.107
    4    HA   ALA   1           HA       ALA   1   3.770  -1.425  -3.071
    5    HB1  ALA   1           HB1      ALA   1   2.038  -0.675  -1.509
    6    HB2  ALA   1           HB2      ALA   1   3.617  -0.603  -0.724
    7    HB3  ALA   1           HB3      ALA   1   2.854   0.894  -1.303
    8    H    GLU   2           H        GLU   2   1.150   0.275  -3.048
    9    HA   GLU   2           HA       GLU   2   1.375   1.749  -5.546
   10    HB2  GLU   2           HB2      GLU   2  -0.334   0.459  -6.704
   11    HB3  GLU   2           HB3      GLU   2   0.994  -0.616  -6.272
   12    HG2  GLU   2           HG2      GLU   2  -0.366  -1.384  -4.269
   13    HG3  GLU   2           HG3      GLU   2  -1.704  -0.393  -4.859
   14    H    HIS   3           H        HIS   3  -0.569   2.996  -5.968
   15    HA   HIS   3           HA       HIS   3  -2.712   2.930  -3.942
   16    HB2  HIS   3           HB2      HIS   3  -1.153   5.408  -4.786
   17    HB3  HIS   3           HB3      HIS   3  -2.783   5.483  -4.119
   18    HD1  HIS   3           HD1      HIS   3  -2.985   4.272  -1.520
   19    HD2  HIS   3           HD2      HIS   3   0.753   5.529  -2.994
   20    HE1  HIS   3           HE1      HIS   3  -1.450   4.461   0.497
   21    H    TRP   4           H        TRP   4  -4.676   3.180  -4.871
   22    HA   TRP   4           HA       TRP   4  -4.862   3.380  -7.826
   23    HB2  TRP   4           HB2      TRP   4  -6.831   2.541  -5.652
   24    HB3  TRP   4           HB3      TRP   4  -7.282   2.800  -7.326
   25    HD1  TRP   4           HD1      TRP   4  -4.684   0.632  -5.402
   26    HE1  TRP   4           HE1      TRP   4  -4.215  -1.499  -6.696
   27    HE3  TRP   4           HE3      TRP   4  -7.788   1.450  -9.396
   28    HZ2  TRP   4           HZ2      TRP   4  -5.306  -2.857  -9.041
   29    HZ3  TRP   4           HZ3      TRP   4  -8.024  -0.274 -11.155
   30    HH2  TRP   4           HH2      TRP   4  -6.793  -2.425 -10.995
   31    H    ILE   5           H        ILE   5  -5.225   5.350  -8.623
   32    HA   ILE   5           HA       ILE   5  -6.310   7.483  -6.835
   33    HB   ILE   5           HB       ILE   5  -3.779   7.395  -8.508
   34   HG12  ILE   5          HG12      ILE   5  -4.051   8.530  -5.704
   35   HG13  ILE   5          HG13      ILE   5  -3.975   6.784  -5.905
   36   HG21  ILE   5          HG21      ILE   5  -3.538   9.862  -7.967
   37   HG22  ILE   5          HG22      ILE   5  -4.806   9.491  -9.127
   38   HG23  ILE   5          HG23      ILE   5  -5.245   9.844  -7.451
   39   HD11  ILE   5          HD11      ILE   5  -1.861   8.723  -6.893
   40   HD12  ILE   5          HD12      ILE   5  -1.776   7.712  -5.440
   41   HD13  ILE   5          HD13      ILE   5  -1.829   6.942  -7.034
   42    H    ASP   6           H        ASP   6  -8.252   7.836  -7.697
   43    HA   ASP   6           HA       ASP   6  -8.831   7.748 -10.549
   44    HB2  ASP   6           HB2      ASP   6 -10.602   7.450  -8.869
   45    HB3  ASP   6           HB3      ASP   6 -10.232   9.020  -8.167
   46    H    VAL   7           H        VAL   7  -8.732   9.607 -11.957
   47    HA   VAL   7           HA       VAL   7  -7.731  12.139 -10.728
   48    HB   VAL   7           HB       VAL   7  -6.279  12.458 -12.694
   49   HG11  VAL   7          HG11      VAL   7  -5.642   9.840 -11.279
   50   HG12  VAL   7          HG12      VAL   7  -4.499  10.958 -12.048
   51   HG13  VAL   7          HG13      VAL   7  -5.369  11.446 -10.587
   52   HG21  VAL   7          HG21      VAL   7  -7.511  10.848 -14.242
   53   HG22  VAL   7          HG22      VAL   7  -5.744  10.710 -14.202
   54   HG23  VAL   7          HG23      VAL   7  -6.744   9.519 -13.352
   55    H    ARG   8           H        ARG   8 -10.516  11.229 -11.624
   56    HA   ARG   8           HA       ARG   8 -11.249  12.915 -13.881
   57    HB2  ARG   8           HB2      ARG   8 -12.776  11.694 -11.539
   58    HB3  ARG   8           HB3      ARG   8 -13.538  12.858 -12.601
   59    HG2  ARG   8           HG2      ARG   8 -13.233  11.507 -14.552
   60    HG3  ARG   8           HG3      ARG   8 -12.291  10.320 -13.605
   61    HD2  ARG   8           HD2      ARG   8 -15.144  11.000 -12.883
   62    HD3  ARG   8           HD3      ARG   8 -14.749   9.736 -14.063
   63    HE   ARG   8           HE       ARG   8 -13.108   9.246 -11.851
   64   HH11  ARG   8          HH11      ARG   8 -16.676   9.467 -12.142
   65   HH12  ARG   8          HH12      ARG   8 -16.880   8.059 -11.141
   66   HH21  ARG   8          HH21      ARG   8 -13.451   7.666 -10.506
   67   HH22  ARG   8          HH22      ARG   8 -15.111   7.141 -10.077
   68    H    VAL   9           H        VAL   9 -12.548  14.846 -13.690
   69    HA   VAL   9           HA       VAL   9 -11.546  16.810 -11.951
   70    HB   VAL   9           HB       VAL   9 -13.449  18.185 -12.685
   71   HG11  VAL   9          HG11      VAL   9 -12.947  18.248 -15.041
   72   HG12  VAL   9          HG12      VAL   9 -11.458  17.830 -14.185
   73   HG13  VAL   9          HG13      VAL   9 -12.367  16.574 -15.040
   74   HG21  VAL   9          HG21      VAL   9 -14.505  15.681 -14.062
   75   HG22  VAL   9          HG22      VAL   9 -15.276  16.540 -12.706
   76   HG23  VAL   9          HG23      VAL   9 -15.124  17.329 -14.277
   77    HA   PRO  10           HA       PRO  10 -13.065  15.449  -8.177
   78    HB2  PRO  10           HB2      PRO  10 -13.956  17.649  -6.737
   79    HB3  PRO  10           HB3      PRO  10 -12.243  17.266  -7.076
   80    HG2  PRO  10           HG2      PRO  10 -14.077  19.142  -8.602
   81    HG3  PRO  10           HG3      PRO  10 -12.384  19.444  -8.043
   82    HD2  PRO  10           HD2      PRO  10 -12.916  18.721 -10.584
   83    HD3  PRO  10           HD3      PRO  10 -11.498  18.056  -9.728
   84    H    GLU  11           H        GLU  11 -15.550  17.438  -9.801
   85    HA   GLU  11           HA       GLU  11 -17.748  16.441  -8.217
   86    HB2  GLU  11           HB2      GLU  11 -17.512  17.837 -10.901
   87    HB3  GLU  11           HB3      GLU  11 -19.074  17.330 -10.219
   88    HG2  GLU  11           HG2      GLU  11 -18.607  18.695  -8.183
   89    HG3  GLU  11           HG3      GLU  11 -17.078  19.224  -8.887
   90    H    GLN  12           H        GLN  12 -15.993  15.087 -11.002
   91    HA   GLN  12           HA       GLN  12 -18.285  13.339 -11.707
   92    HB2  GLN  12           HB2      GLN  12 -15.534  13.738 -12.950
   93    HB3  GLN  12           HB3      GLN  12 -16.654  12.461 -13.432
   94    HG2  GLN  12           HG2      GLN  12 -18.373  14.118 -14.022
   95    HG3  GLN  12           HG3      GLN  12 -17.304  15.432 -13.541
   96   HE21  GLN  12          HE22      GLN  12 -18.009  15.927 -15.951
   97   HE22  GLN  12          HE21      GLN  12 -16.894  15.371 -17.173
   98    H    TYR  13           H        TYR  13 -15.122  13.337 -10.076
   99    HA   TYR  13           HA       TYR  13 -14.690  10.619  -9.763
  100    HB2  TYR  13           HB2      TYR  13 -12.954  11.746  -8.927
  101    HB3  TYR  13           HB3      TYR  13 -13.909  13.104  -8.402
  102    HD1  TYR  13           HD1      TYR  13 -13.391   9.469  -7.361
  103    HD2  TYR  13           HD2      TYR  13 -13.917  13.591  -6.157
  104    HE1  TYR  13           HE1      TYR  13 -13.080   8.831  -5.005
  105    HE2  TYR  13           HE2      TYR  13 -13.659  12.934  -3.789
  106    HH   TYR  13           HH       TYR  13 -13.045   9.534  -2.788
  107    H    GLN  14           H        GLN  14 -16.677  12.757  -7.701
  108    HA   GLN  14           HA       GLN  14 -17.268  10.852  -5.724
  109    HB2  GLN  14           HB2      GLN  14 -18.729  13.376  -6.613
  110    HB3  GLN  14           HB3      GLN  14 -19.135  12.488  -5.140
  111    HG2  GLN  14           HG2      GLN  14 -16.982  12.912  -4.154
  112    HG3  GLN  14           HG3      GLN  14 -16.328  13.534  -5.663
  113   HE21  GLN  14          HE22      GLN  14 -16.528  15.682  -6.158
  114   HE22  GLN  14          HE21      GLN  14 -17.420  16.840  -5.179
  115    H    GLN  15           H        GLN  15 -18.618  11.016  -8.921
  116    HA   GLN  15           HA       GLN  15 -21.301  10.277  -8.255
  117    HB2  GLN  15           HB2      GLN  15 -19.822   9.956 -10.900
  118    HB3  GLN  15           HB3      GLN  15 -21.569   9.925 -10.668
  119    HG2  GLN  15           HG2      GLN  15 -19.717  12.311 -10.268
  120    HG3  GLN  15           HG3      GLN  15 -20.882  12.105 -11.555
  121   HE21  GLN  15          HE22      GLN  15 -20.457  14.068  -9.153
  122   HE22  GLN  15          HE21      GLN  15 -22.069  14.209  -8.467
  123    H    GLU  16           H        GLU  16 -18.389   8.374  -8.892
  124    HA   GLU  16           HA       GLU  16 -19.139   6.047  -7.577
  125    HB2  GLU  16           HB2      GLU  16 -20.786   5.557  -9.319
  126    HB3  GLU  16           HB3      GLU  16 -19.620   5.936 -10.599
  127    HG2  GLU  16           HG2      GLU  16 -18.288   3.941  -9.917
  128    HG3  GLU  16           HG3      GLU  16 -19.463   3.623  -8.631
  129    H    HIS  17           H        HIS  17 -17.115   5.031  -7.204
  130    HA   HIS  17           HA       HIS  17 -15.039   5.210  -9.257
  131    HB2  HIS  17           HB2      HIS  17 -13.455   6.385  -8.080
  132    HB3  HIS  17           HB3      HIS  17 -14.899   7.307  -7.734
  133    HD1  HIS  17           HD1      HIS  17 -16.058   5.828  -5.206
  134    HD2  HIS  17           HD2      HIS  17 -11.967   6.465  -6.016
  135    HE1  HIS  17           HE1      HIS  17 -14.856   5.828  -2.949
  136    H    VAL  18           H        VAL  18 -13.081   3.846  -8.538
  137    HA   VAL  18           HA       VAL  18 -14.108   1.245  -7.857
  138    HB   VAL  18           HB       VAL  18 -11.251   2.252  -8.207
  139   HG11  VAL  18          HG11      VAL  18 -12.387  -0.566  -8.101
  140   HG12  VAL  18          HG12      VAL  18 -10.747  -0.163  -8.670
  141   HG13  VAL  18          HG13      VAL  18 -11.200   0.156  -6.997
  142   HG21  VAL  18          HG21      VAL  18 -13.094   0.806 -10.177
  143   HG22  VAL  18          HG22      VAL  18 -12.652   2.521 -10.274
  144   HG23  VAL  18          HG23      VAL  18 -11.410   1.296 -10.466
  145    H    GLN  19           H        GLN  19 -13.999   0.134  -5.967
  146    HA   GLN  19           HA       GLN  19 -13.941   1.575  -3.513
  147    HB2  GLN  19           HB2      GLN  19 -15.183  -0.564  -4.070
  148    HB3  GLN  19           HB3      GLN  19 -13.638  -1.421  -3.997
  149    HG2  GLN  19           HG2      GLN  19 -13.407  -0.756  -1.602
  150    HG3  GLN  19           HG3      GLN  19 -14.948   0.105  -1.700
  151   HE21  GLN  19          HE22      GLN  19 -16.944  -1.163  -1.822
  152   HE22  GLN  19          HE21      GLN  19 -16.941  -2.874  -1.489
  153    H    GLY  20           H        GLY  20 -12.331   1.759  -1.910
  154    HA2  GLY  20           HA2      GLY  20 -10.289   1.607  -0.890
  155    HA3  GLY  20           HA3      GLY  20  -9.912   0.212  -1.911
  156    H    ALA  21           H        ALA  21 -10.604   3.670  -2.708
  157    HA   ALA  21           HA       ALA  21  -7.897   4.008  -3.870
  158    HB1  ALA  21           HB1      ALA  21  -9.430   3.263  -5.693
  159    HB2  ALA  21           HB2      ALA  21 -10.524   4.608  -5.291
  160    HB3  ALA  21           HB3      ALA  21  -8.902   4.942  -5.923
  161    H    ILE  22           H        ILE  22  -7.838   6.407  -4.692
  162    HA   ILE  22           HA       ILE  22  -9.266   8.297  -2.915
  163    HB   ILE  22           HB       ILE  22  -6.962   7.760  -2.034
  164   HG12  ILE  22          HG12      ILE  22  -7.308  10.666  -2.871
  165   HG13  ILE  22          HG13      ILE  22  -8.098   9.884  -1.496
  166   HG21  ILE  22          HG21      ILE  22  -5.905   9.258  -4.463
  167   HG22  ILE  22          HG22      ILE  22  -4.965   8.500  -3.163
  168   HG23  ILE  22          HG23      ILE  22  -5.858   7.487  -4.282
  169   HD11  ILE  22          HD11      ILE  22  -5.812   9.401  -0.548
  170   HD12  ILE  22          HD12      ILE  22  -5.110  10.349  -1.884
  171   HD13  ILE  22          HD13      ILE  22  -6.182  11.131  -0.713
  172    H    ASN  23           H        ASN  23  -8.754  10.656  -4.029
  173    HA   ASN  23           HA       ASN  23  -8.655  10.354  -6.966
  174    HB2  ASN  23           HB2      ASN  23 -10.936  10.622  -6.762
  175    HB3  ASN  23           HB3      ASN  23 -10.811  11.678  -5.353
  176   HD21  ASN  23          HD22      ASN  23 -10.520  11.641  -8.976
  177   HD22  ASN  23          HD21      ASN  23 -10.565  13.370  -9.116
  178    H    ILE  24           H        ILE  24  -7.502  11.891  -7.965
  179    HA   ILE  24           HA       ILE  24  -6.453  14.228  -6.492
  180    HB   ILE  24           HB       ILE  24  -4.746  12.245  -8.018
  181   HG12  ILE  24          HG12      ILE  24  -5.394  11.447  -5.755
  182   HG13  ILE  24          HG13      ILE  24  -3.669  11.641  -5.998
  183   HG21  ILE  24          HG21      ILE  24  -3.987  14.850  -6.625
  184   HG22  ILE  24          HG22      ILE  24  -2.861  13.676  -7.350
  185   HG23  ILE  24          HG23      ILE  24  -4.001  14.546  -8.368
  186   HD11  ILE  24          HD11      ILE  24  -5.377  13.695  -4.550
  187   HD12  ILE  24          HD12      ILE  24  -4.592  12.344  -3.743
  188   HD13  ILE  24          HD13      ILE  24  -3.598  13.553  -4.571
  189    HA   PRO  25           HA       PRO  25  -8.594  14.736 -10.541
  190    HB2  PRO  25           HB2      PRO  25  -8.552  17.653  -9.739
  191    HB3  PRO  25           HB3      PRO  25  -9.890  16.693 -10.433
  192    HG2  PRO  25           HG2      PRO  25  -9.821  17.296  -7.780
  193    HG3  PRO  25           HG3      PRO  25 -10.333  15.672  -8.342
  194    HD2  PRO  25           HD2      PRO  25  -7.630  16.549  -7.287
  195    HD3  PRO  25           HD3      PRO  25  -8.550  15.075  -6.883
  196    H    LEU  26           H        LEU  26  -7.808  15.255 -12.600
  197    HA   LEU  26           HA       LEU  26  -5.217  16.202 -13.085
  198    HB2  LEU  26           HB2      LEU  26  -6.636  15.031 -14.717
  199    HB3  LEU  26           HB3      LEU  26  -7.721  16.425 -14.799
  200    HG   LEU  26           HG       LEU  26  -5.847  17.787 -15.780
  201   HD11  LEU  26          HD11      LEU  26  -3.890  16.564 -14.922
  202   HD12  LEU  26          HD12      LEU  26  -4.379  15.102 -15.812
  203   HD13  LEU  26          HD13      LEU  26  -3.864  16.566 -16.682
  204   HD21  LEU  26          HD21      LEU  26  -6.479  15.225 -17.283
  205   HD22  LEU  26          HD22      LEU  26  -7.521  16.661 -17.203
  206   HD23  LEU  26          HD23      LEU  26  -5.942  16.762 -17.989
  207    H    LYS  27           H        LYS  27  -8.094  18.063 -12.274
  208    HA   LYS  27           HA       LYS  27  -7.153  20.654 -13.078
  209    HB2  LYS  27           HB2      LYS  27  -9.091  19.929 -10.832
  210    HB3  LYS  27           HB3      LYS  27  -8.922  21.506 -11.578
  211    HG2  LYS  27           HG2      LYS  27  -9.981  18.970 -12.876
  212    HG3  LYS  27           HG3      LYS  27 -10.916  20.378 -12.400
  213    HD2  LYS  27           HD2      LYS  27  -8.842  20.279 -14.637
  214    HD3  LYS  27           HD3      LYS  27 -10.597  20.301 -14.823
  215    HE2  LYS  27           HE2      LYS  27 -10.693  22.534 -13.720
  216    HE3  LYS  27           HE3      LYS  27  -8.931  22.535 -13.576
  217    HZ1  LYS  27           HZ1      LYS  27  -8.800  22.478 -16.002
  218    HZ2  LYS  27           HZ2      LYS  27 -10.430  22.481 -16.132
  219    HZ3  LYS  27           HZ3      LYS  27  -9.657  23.771 -15.511
  220    H    GLU  28           H        GLU  28  -6.246  18.653 -10.321
  221    HA   GLU  28           HA       GLU  28  -4.996  21.033  -8.998
  222    HB2  GLU  28           HB2      GLU  28  -6.320  18.671  -7.617
  223    HB3  GLU  28           HB3      GLU  28  -5.616  20.108  -6.867
  224    HG2  GLU  28           HG2      GLU  28  -7.407  21.427  -8.232
  225    HG3  GLU  28           HG3      GLU  28  -8.210  19.856  -8.415
  226    H    VAL  29           H        VAL  29  -4.484  17.929 -10.293
  227    HA   VAL  29           HA       VAL  29  -2.955  16.526  -8.649
  228    HB   VAL  29           HB       VAL  29  -3.760  15.815 -10.809
  229   HG11  VAL  29          HG11      VAL  29  -1.528  17.393 -12.130
  230   HG12  VAL  29          HG12      VAL  29  -2.762  16.377 -12.909
  231   HG13  VAL  29          HG13      VAL  29  -3.231  17.878 -12.125
  232   HG21  VAL  29          HG21      VAL  29  -2.046  14.407  -9.888
  233   HG22  VAL  29          HG22      VAL  29  -1.887  14.470 -11.642
  234   HG23  VAL  29          HG23      VAL  29  -0.762  15.399 -10.630
  235    H    LYS  30           H        LYS  30  -1.563  19.259 -10.536
  236    HA   LYS  30           HA       LYS  30   1.153  18.750  -9.928
  237    HB2  LYS  30           HB2      LYS  30  -0.338  21.369 -10.423
  238    HB3  LYS  30           HB3      LYS  30   1.410  21.269 -10.294
  239    HG2  LYS  30           HG2      LYS  30  -0.249  19.856 -12.425
  240    HG3  LYS  30           HG3      LYS  30   0.643  21.367 -12.616
  241    HD2  LYS  30           HD2      LYS  30   2.762  20.046 -11.929
  242    HD3  LYS  30           HD3      LYS  30   1.777  18.591 -12.104
  243    HE2  LYS  30           HE2      LYS  30   2.973  18.857 -14.140
  244    HE3  LYS  30           HE3      LYS  30   1.284  19.253 -14.480
  245    HZ1  LYS  30           HZ1      LYS  30   1.900  21.610 -14.375
  246    HZ2  LYS  30           HZ2      LYS  30   3.456  21.231 -14.043
  247    HZ3  LYS  30           HZ3      LYS  30   2.810  20.843 -15.485
  248    H    GLU  31           H        GLU  31  -1.348  20.028  -7.825
  249    HA   GLU  31           HA       GLU  31   0.698  20.828  -5.799
  250    HB2  GLU  31           HB2      GLU  31  -2.194  21.720  -6.171
  251    HB3  GLU  31           HB3      GLU  31  -1.095  22.303  -4.929
  252    HG2  GLU  31           HG2      GLU  31  -0.847  22.760  -7.930
  253    HG3  GLU  31           HG3      GLU  31  -1.307  23.941  -6.714
  254    H    ARG  32           H        ARG  32  -1.080  18.185  -6.544
  255    HA   ARG  32           HA       ARG  32  -1.926  17.663  -3.719
  256    HB2  ARG  32           HB2      ARG  32  -3.733  18.589  -5.202
  257    HB3  ARG  32           HB3      ARG  32  -3.565  17.173  -6.237
  258    HG2  ARG  32           HG2      ARG  32  -4.269  15.730  -4.361
  259    HG3  ARG  32           HG3      ARG  32  -4.371  17.133  -3.290
  260    HD2  ARG  32           HD2      ARG  32  -6.228  18.040  -4.434
  261    HD3  ARG  32           HD3      ARG  32  -5.939  17.069  -5.885
  262    HE   ARG  32           HE       ARG  32  -6.451  15.141  -4.054
  263   HH11  ARG  32          HH11      ARG  32  -8.317  18.119  -4.814
  264   HH12  ARG  32          HH12      ARG  32  -9.823  17.376  -4.410
  265   HH21  ARG  32          HH21      ARG  32  -8.494  14.140  -3.950
  266   HH22  ARG  32          HH22      ARG  32  -9.928  15.098  -3.879
  267    H    ILE  33           H        ILE  33  -0.602  16.254  -6.737
  268    HA   ILE  33           HA       ILE  33  -1.142  13.586  -6.028
  269    HB   ILE  33           HB       ILE  33  -0.518  14.325  -8.272
  270   HG12  ILE  33          HG12      ILE  33   0.996  12.436  -8.888
  271   HG13  ILE  33          HG13      ILE  33   1.292  12.126  -7.190
  272   HG21  ILE  33          HG21      ILE  33   1.659  14.862  -9.024
  273   HG22  ILE  33          HG22      ILE  33   1.387  15.883  -7.622
  274   HG23  ILE  33          HG23      ILE  33   2.401  14.436  -7.464
  275   HD11  ILE  33          HD11      ILE  33  -1.435  12.005  -8.567
  276   HD12  ILE  33          HD12      ILE  33  -0.404  10.613  -8.194
  277   HD13  ILE  33          HD13      ILE  33  -1.103  11.560  -6.873
  278    H    ALA  34           H        ALA  34   1.543  15.658  -4.967
  279    HA   ALA  34           HA       ALA  34   3.191  13.655  -3.896
  280    HB1  ALA  34           HB1      ALA  34   4.102  15.443  -2.466
  281    HB2  ALA  34           HB2      ALA  34   3.862  16.017  -4.127
  282    HB3  ALA  34           HB3      ALA  34   2.711  16.480  -2.846
  283    H    THR  35           H        THR  35   0.148  14.996  -2.559
  284    HA   THR  35           HA       THR  35   0.478  14.014   0.084
  285    HB   THR  35           HB       THR  35  -2.124  14.435  -1.442
  286    HG1  THR  35           HG1      THR  35  -1.920  16.589  -0.974
  287   HG21  THR  35          HG21      THR  35  -2.397  13.535   0.843
  288   HG22  THR  35          HG22      THR  35  -1.378  14.835   1.495
  289   HG23  THR  35          HG23      THR  35  -2.958  15.210   0.767
  290    H    ALA  36           H        ALA  36  -0.687  12.485  -2.941
  291    HA   ALA  36           HA       ALA  36  -1.541  10.050  -1.490
  292    HB1  ALA  36           HB1      ALA  36  -1.634  10.800  -4.444
  293    HB2  ALA  36           HB2      ALA  36  -2.289   9.312  -3.722
  294    HB3  ALA  36           HB3      ALA  36  -2.977  10.876  -3.276
  295    H    VAL  37           H        VAL  37   1.178  11.248  -3.419
  296    HA   VAL  37           HA       VAL  37   2.478   8.584  -3.224
  297    HB   VAL  37           HB       VAL  37   2.746  10.289  -5.704
  298   HG11  VAL  37          HG11      VAL  37   2.919   7.273  -5.255
  299   HG12  VAL  37          HG12      VAL  37   3.496   8.196  -6.656
  300   HG13  VAL  37          HG13      VAL  37   4.319   8.348  -5.103
  301   HG21  VAL  37          HG21      VAL  37   1.116   8.886  -6.855
  302   HG22  VAL  37          HG22      VAL  37   0.630   8.145  -5.312
  303   HG23  VAL  37          HG23      VAL  37   0.344   9.877  -5.626
  304    HA   PRO  38           HA       PRO  38   4.916  12.078  -1.499
  305    HB2  PRO  38           HB2      PRO  38   5.811  10.926   0.818
  306    HB3  PRO  38           HB3      PRO  38   4.149  11.557   0.615
  307    HG2  PRO  38           HG2      PRO  38   5.099   8.690   0.300
  308    HG3  PRO  38           HG3      PRO  38   3.708   9.297   1.261
  309    HD2  PRO  38           HD2      PRO  38   3.392   8.304  -1.253
  310    HD3  PRO  38           HD3      PRO  38   2.425   9.697  -0.676
  311    H    ASP  39           H        ASP  39   5.911   9.007  -2.718
  312    HA   ASP  39           HA       ASP  39   8.653  10.034  -3.049
  313    HB2  ASP  39           HB2      ASP  39   8.800   8.527  -1.090
  314    HB3  ASP  39           HB3      ASP  39   8.045   7.229  -2.025
  315    H    LYS  40           H        LYS  40   9.387   9.619  -5.083
  316    HA   LYS  40           HA       LYS  40   7.362   9.079  -6.974
  317    HB2  LYS  40           HB2      LYS  40  10.357   9.437  -7.372
  318    HB3  LYS  40           HB3      LYS  40   9.153   9.439  -8.665
  319    HG2  LYS  40           HG2      LYS  40   7.994  11.373  -7.603
  320    HG3  LYS  40           HG3      LYS  40   9.235  11.411  -6.338
  321    HD2  LYS  40           HD2      LYS  40  10.971  11.802  -8.107
  322    HD3  LYS  40           HD3      LYS  40   9.664  11.894  -9.312
  323    HE2  LYS  40           HE2      LYS  40   8.626  13.758  -8.021
  324    HE3  LYS  40           HE3      LYS  40   9.940  13.668  -6.840
  325    HZ1  LYS  40           HZ1      LYS  40  10.224  14.385  -9.700
  326    HZ2  LYS  40           HZ2      LYS  40  10.346  15.411  -8.434
  327    HZ3  LYS  40           HZ3      LYS  40  11.481  14.258  -8.643
  328    H    ASN  41           H        ASN  41   9.426   6.756  -5.432
  329    HA   ASN  41           HA       ASN  41   9.479   4.953  -7.706
  330    HB2  ASN  41           HB2      ASN  41  10.753   3.572  -6.495
  331    HB3  ASN  41           HB3      ASN  41  11.048   5.016  -5.542
  332   HD21  ASN  41          HD22      ASN  41   9.639   5.265  -3.540
  333   HD22  ASN  41          HD21      ASN  41   9.106   3.806  -2.708
  334    H    ASP  42           H        ASP  42   6.998   5.767  -5.382
  335    HA   ASP  42           HA       ASP  42   5.887   3.106  -5.169
  336    HB2  ASP  42           HB2      ASP  42   5.659   4.990  -3.487
  337    HB3  ASP  42           HB3      ASP  42   4.483   5.725  -4.583
  338    H    THR  43           H        THR  43   3.913   2.295  -6.127
  339    HA   THR  43           HA       THR  43   3.785   3.051  -8.919
  340    HB   THR  43           HB       THR  43   2.002   1.024  -7.557
  341    HG1  THR  43           HG1      THR  43   3.904   0.378  -6.845
  342   HG21  THR  43          HG21      THR  43   1.575   1.434  -9.954
  343   HG22  THR  43          HG22      THR  43   3.279   1.094 -10.322
  344   HG23  THR  43          HG23      THR  43   2.225  -0.189  -9.687
  345    H    VAL  44           H        VAL  44   2.124   4.062 -10.029
  346    HA   VAL  44           HA       VAL  44  -0.065   5.250  -8.373
  347    HB   VAL  44           HB       VAL  44   1.249   6.591 -10.751
  348   HG11  VAL  44          HG11      VAL  44  -1.014   7.364  -9.891
  349   HG12  VAL  44          HG12      VAL  44  -0.201   7.795  -8.381
  350   HG13  VAL  44          HG13      VAL  44   0.259   8.595  -9.893
  351   HG21  VAL  44          HG21      VAL  44   3.106   6.350  -9.257
  352   HG22  VAL  44          HG22      VAL  44   2.513   8.003  -9.097
  353   HG23  VAL  44          HG23      VAL  44   2.106   6.790  -7.856
  354    H    LYS  45           H        LYS  45  -1.671   3.766  -8.904
  355    HA   LYS  45           HA       LYS  45  -2.059   3.015 -11.747
  356    HB2  LYS  45           HB2      LYS  45  -3.375   2.117  -9.154
  357    HB3  LYS  45           HB3      LYS  45  -3.955   1.653 -10.761
  358    HG2  LYS  45           HG2      LYS  45  -1.726   0.705 -11.313
  359    HG3  LYS  45           HG3      LYS  45  -1.138   1.137  -9.695
  360    HD2  LYS  45           HD2      LYS  45  -2.823  -0.328  -8.671
  361    HD3  LYS  45           HD3      LYS  45  -3.451  -0.759 -10.281
  362    HE2  LYS  45           HE2      LYS  45  -1.258  -1.729 -10.892
  363    HE3  LYS  45           HE3      LYS  45  -0.595  -1.247  -9.323
  364    HZ1  LYS  45           HZ1      LYS  45  -2.207  -2.705  -8.257
  365    HZ2  LYS  45           HZ2      LYS  45  -2.766  -3.219  -9.726
  366    HZ3  LYS  45           HZ3      LYS  45  -1.233  -3.546  -9.270
  367    H    VAL  46           H        VAL  46  -2.701   4.867 -12.775
  368    HA   VAL  46           HA       VAL  46  -4.734   6.570 -11.524
  369    HB   VAL  46           HB       VAL  46  -4.433   8.006 -13.545
  370   HG11  VAL  46          HG11      VAL  46  -1.900   7.436 -11.963
  371   HG12  VAL  46          HG12      VAL  46  -2.333   8.957 -12.766
  372   HG13  VAL  46          HG13      VAL  46  -3.277   8.398 -11.376
  373   HG21  VAL  46          HG21      VAL  46  -1.990   6.272 -14.130
  374   HG22  VAL  46          HG22      VAL  46  -3.460   6.309 -15.121
  375   HG23  VAL  46          HG23      VAL  46  -2.470   7.762 -14.955
  376    H    TYR  47           H        TYR  47  -6.867   6.824 -12.250
  377    HA   TYR  47           HA       TYR  47  -7.657   5.644 -14.791
  378    HB2  TYR  47           HB2      TYR  47  -9.394   4.247 -14.009
  379    HB3  TYR  47           HB3      TYR  47  -7.921   3.734 -13.217
  380    HD1  TYR  47           HD1      TYR  47  -7.563   4.273 -10.762
  381    HD2  TYR  47           HD2      TYR  47 -11.292   5.061 -12.795
  382    HE1  TYR  47           HE1      TYR  47  -8.717   4.439  -8.577
  383    HE2  TYR  47           HE2      TYR  47 -12.444   5.246 -10.614
  384    HH   TYR  47           HH       TYR  47 -10.743   4.796  -7.494
  385    H    CYS  48           H        CYS  48  -9.982   6.249 -15.256
  386    HA   CYS  48           HA       CYS  48 -11.279   8.225 -13.673
  387    HB2  CYS  48           HB2      CYS  48 -11.180  10.110 -15.323
  388    HB3  CYS  48           HB3      CYS  48  -9.594   9.732 -14.663
  389    HG   CYS  48           HG       CYS  48  -8.864   8.189 -16.645
  390    H    ASN  49           H        ASN  49 -12.894   9.236 -15.895
  391    HA   ASN  49           HA       ASN  49 -14.775   7.144 -16.065
  392    HB2  ASN  49           HB2      ASN  49 -15.146   9.655 -16.362
  393    HB3  ASN  49           HB3      ASN  49 -14.524   9.500 -17.995
  394   HD21  ASN  49          HD22      ASN  49 -15.864   6.765 -18.433
  395   HD22  ASN  49          HD21      ASN  49 -17.557   7.163 -18.615
  396    H    ALA  50           H        ALA  50 -12.545   8.357 -18.598
  397    HA   ALA  50           HA       ALA  50 -12.766   5.780 -20.083
  398    HB1  ALA  50           HB1      ALA  50 -13.112   8.588 -21.235
  399    HB2  ALA  50           HB2      ALA  50 -13.179   7.061 -22.141
  400    HB3  ALA  50           HB3      ALA  50 -14.424   7.424 -20.937
  401    H    GLY  51           H        GLY  51 -10.549   7.039 -18.426
  402    HA2  GLY  51           HA2      GLY  51  -8.289   6.806 -18.516
  403    HA3  GLY  51           HA3      GLY  51  -8.420   6.288 -20.191
  404    H    ARG  52           H        ARG  52  -9.899   9.339 -20.189
  405    HA   ARG  52           HA       ARG  52  -7.562  10.538 -21.490
  406    HB2  ARG  52           HB2      ARG  52 -10.071  12.004 -20.584
  407    HB3  ARG  52           HB3      ARG  52  -8.876  12.518 -21.763
  408    HG2  ARG  52           HG2      ARG  52 -11.020  10.388 -22.086
  409    HG3  ARG  52           HG3      ARG  52 -10.819  11.898 -22.955
  410    HD2  ARG  52           HD2      ARG  52 -10.073  10.431 -24.548
  411    HD3  ARG  52           HD3      ARG  52  -8.540  10.840 -23.768
  412    HE   ARG  52           HE       ARG  52 -10.064   8.483 -22.776
  413   HH11  ARG  52          HH11      ARG  52  -7.328   9.541 -24.787
  414   HH12  ARG  52          HH12      ARG  52  -6.564   7.995 -24.771
  415   HH21  ARG  52          HH21      ARG  52  -9.112   6.518 -22.751
  416   HH22  ARG  52          HH22      ARG  52  -7.622   6.191 -23.590
  417    H    GLN  53           H        GLN  53  -9.195  11.345 -18.423
  418    HA   GLN  53           HA       GLN  53  -7.179  13.251 -17.744
  419    HB2  GLN  53           HB2      GLN  53  -9.115  11.708 -15.987
  420    HB3  GLN  53           HB3      GLN  53  -7.944  12.855 -15.362
  421    HG2  GLN  53           HG2      GLN  53 -10.203  13.856 -15.578
  422    HG3  GLN  53           HG3      GLN  53  -8.952  14.703 -16.479
  423   HE21  GLN  53          HE22      GLN  53 -11.438  12.088 -17.019
  424   HE22  GLN  53          HE21      GLN  53 -11.866  12.648 -18.611
  425    H    SER  54           H        SER  54  -7.314   9.704 -17.402
  426    HA   SER  54           HA       SER  54  -5.029   9.397 -15.734
  427    HB2  SER  54           HB2      SER  54  -6.003   7.431 -17.829
  428    HB3  SER  54           HB3      SER  54  -5.174   7.100 -16.303
  429    HG   SER  54           HG       SER  54  -7.051   8.113 -15.275
  430    H    GLY  55           H        GLY  55  -5.294   9.281 -19.362
  431    HA2  GLY  55           HA2      GLY  55  -2.491   8.836 -19.763
  432    HA3  GLY  55           HA3      GLY  55  -3.650   9.470 -20.952
  433    H    GLN  56           H        GLN  56  -4.536  11.777 -19.715
  434    HA   GLN  56           HA       GLN  56  -2.577  13.722 -20.224
  435    HB2  GLN  56           HB2      GLN  56  -5.243  13.610 -18.810
  436    HB3  GLN  56           HB3      GLN  56  -4.270  15.084 -18.673
  437    HG2  GLN  56           HG2      GLN  56  -5.161  13.779 -21.277
  438    HG3  GLN  56           HG3      GLN  56  -5.943  15.156 -20.509
  439   HE21  GLN  56          HE22      GLN  56  -3.808  14.389 -22.961
  440   HE22  GLN  56          HE21      GLN  56  -2.918  15.886 -23.040
  441    H    ALA  57           H        ALA  57  -3.602  12.317 -17.042
  442    HA   ALA  57           HA       ALA  57  -1.674  13.783 -15.523
  443    HB1  ALA  57           HB1      ALA  57  -3.092  11.160 -14.887
  444    HB2  ALA  57           HB2      ALA  57  -2.215  12.183 -13.730
  445    HB3  ALA  57           HB3      ALA  57  -3.687  12.797 -14.510
  446    H    LYS  58           H        LYS  58  -1.507  10.512 -17.129
  447    HA   LYS  58           HA       LYS  58   0.957   9.848 -15.907
  448    HB2  LYS  58           HB2      LYS  58  -0.400   8.174 -17.120
  449    HB3  LYS  58           HB3      LYS  58   0.002   8.955 -18.668
  450    HG2  LYS  58           HG2      LYS  58   2.378   8.534 -18.319
  451    HG3  LYS  58           HG3      LYS  58   2.078   7.930 -16.684
  452    HD2  LYS  58           HD2      LYS  58   0.787   6.019 -17.749
  453    HD3  LYS  58           HD3      LYS  58   1.358   6.601 -19.321
  454    HE2  LYS  58           HE2      LYS  58   3.038   5.623 -16.962
  455    HE3  LYS  58           HE3      LYS  58   2.826   4.818 -18.514
  456    HZ1  LYS  58           HZ1      LYS  58   4.935   5.920 -18.448
  457    HZ2  LYS  58           HZ2      LYS  58   4.020   6.705 -19.540
  458    HZ3  LYS  58           HZ3      LYS  58   4.296   7.367 -18.057
  459    H    GLU  59           H        GLU  59   0.342  11.787 -18.876
  460    HA   GLU  59           HA       GLU  59   3.027  11.936 -19.703
  461    HB2  GLU  59           HB2      GLU  59   0.736  13.925 -19.948
  462    HB3  GLU  59           HB3      GLU  59   2.307  14.201 -20.693
  463    HG2  GLU  59           HG2      GLU  59   0.578  11.755 -21.255
  464    HG3  GLU  59           HG3      GLU  59   0.572  13.222 -22.222
  465    H    ILE  60           H        ILE  60   1.306  14.283 -17.470
  466    HA   ILE  60           HA       ILE  60   3.720  15.743 -17.062
  467    HB   ILE  60           HB       ILE  60   2.541  16.966 -15.416
  468   HG12  ILE  60          HG12      ILE  60   0.542  14.716 -15.383
  469   HG13  ILE  60          HG13      ILE  60   1.508  15.318 -14.025
  470   HG21  ILE  60          HG21      ILE  60   0.521  16.292 -17.592
  471   HG22  ILE  60          HG22      ILE  60   0.725  17.832 -16.737
  472   HG23  ILE  60          HG23      ILE  60   1.978  17.278 -17.847
  473   HD11  ILE  60          HD11      ILE  60  -0.752  15.907 -13.760
  474   HD12  ILE  60          HD12      ILE  60   0.154  17.402 -14.074
  475   HD13  ILE  60          HD13      ILE  60  -0.859  16.663 -15.358
  476    H    LEU  61           H        LEU  61   2.209  13.017 -15.235
  477    HA   LEU  61           HA       LEU  61   4.002  13.341 -13.015
  478    HB2  LEU  61           HB2      LEU  61   2.303  10.987 -13.909
  479    HB3  LEU  61           HB3      LEU  61   3.210  11.039 -12.394
  480    HG   LEU  61           HG       LEU  61   0.912  12.896 -13.139
  481   HD11  LEU  61          HD11      LEU  61   1.125  10.680 -11.061
  482   HD12  LEU  61          HD12      LEU  61  -0.289  11.718 -11.357
  483   HD13  LEU  61          HD13      LEU  61   0.240  10.575 -12.600
  484   HD21  LEU  61          HD21      LEU  61   2.447  14.155 -11.769
  485   HD22  LEU  61          HD22      LEU  61   1.030  13.696 -10.843
  486   HD23  LEU  61          HD23      LEU  61   2.563  12.814 -10.603
  487    H    SER  62           H        SER  62   4.197  11.393 -16.006
  488    HA   SER  62           HA       SER  62   6.560   9.951 -15.241
  489    HB2  SER  62           HB2      SER  62   5.688  10.776 -18.039
  490    HB3  SER  62           HB3      SER  62   6.819   9.482 -17.608
  491    HG   SER  62           HG       SER  62   4.035   9.662 -17.118
  492    H    GLU  63           H        GLU  63   6.010  13.147 -16.851
  493    HA   GLU  63           HA       GLU  63   8.777  13.720 -17.272
  494    HB2  GLU  63           HB2      GLU  63   6.874  14.795 -18.445
  495    HB3  GLU  63           HB3      GLU  63   6.413  15.622 -16.952
  496    HG2  GLU  63           HG2      GLU  63   8.569  16.820 -16.927
  497    HG3  GLU  63           HG3      GLU  63   9.104  15.925 -18.352
  498    H    MET  64           H        MET  64   6.549  14.426 -14.546
  499    HA   MET  64           HA       MET  64   8.418  15.882 -12.938
  500    HB2  MET  64           HB2      MET  64   5.900  14.308 -12.282
  501    HB3  MET  64           HB3      MET  64   6.815  15.199 -11.066
  502    HG2  MET  64           HG2      MET  64   6.410  17.301 -12.113
  503    HG3  MET  64           HG3      MET  64   5.831  16.552 -13.591
  504    HE1  MET  64           HE1      MET  64   4.986  17.537  -9.891
  505    HE2  MET  64           HE2      MET  64   3.389  16.795  -9.649
  506    HE3  MET  64           HE3      MET  64   4.831  15.768  -9.778
  507    H    GLY  65           H        GLY  65   8.216  12.476 -13.668
  508    HA2  GLY  65           HA2      GLY  65  10.231  11.270 -13.393
  509    HA3  GLY  65           HA3      GLY  65  10.529  12.051 -11.841
  510    H    TYR  66           H        TYR  66   7.215  11.036 -12.170
  511    HA   TYR  66           HA       TYR  66   7.609   8.794 -10.310
  512    HB2  TYR  66           HB2      TYR  66   5.144   9.802 -11.773
  513    HB3  TYR  66           HB3      TYR  66   5.192   8.421 -10.681
  514    HD1  TYR  66           HD2      TYR  66   5.521   8.676  -8.277
  515    HD2  TYR  66           HD1      TYR  66   5.206  12.116 -10.858
  516    HE1  TYR  66           HE2      TYR  66   5.162  10.126  -6.301
  517    HE2  TYR  66           HE1      TYR  66   4.751  13.555  -8.886
  518    HH   TYR  66           HH       TYR  66   4.615  12.215  -5.537
  519    H    THR  67           H        THR  67   8.900   7.280 -11.356
  520    HA   THR  67           HA       THR  67   8.521   6.584 -14.106
  521    HB   THR  67           HB       THR  67  10.330   4.809 -13.289
  522    HG1  THR  67           HG1      THR  67  10.267   4.967 -11.115
  523   HG21  THR  67          HG21      THR  67  12.055   6.562 -13.425
  524   HG22  THR  67          HG22      THR  67  10.809   6.809 -14.658
  525   HG23  THR  67          HG23      THR  67  10.821   7.821 -13.197
  526    H    HIS  68           H        HIS  68   6.397   5.822 -11.781
  527    HA   HIS  68           HA       HIS  68   5.901   3.063 -12.763
  528    HB2  HIS  68           HB2      HIS  68   5.763   3.920  -9.847
  529    HB3  HIS  68           HB3      HIS  68   5.582   2.285 -10.484
  530    HD1  HIS  68           HD1      HIS  68   7.929   0.992 -11.059
  531    HD2  HIS  68           HD2      HIS  68   8.220   4.982  -9.756
  532    HE1  HIS  68           HE1      HIS  68  10.400   1.418 -10.617
  533    H    VAL  69           H        VAL  69   4.626   5.474 -13.577
  534    HA   VAL  69           HA       VAL  69   1.921   5.341 -12.380
  535    HB   VAL  69           HB       VAL  69   2.897   6.915 -14.795
  536   HG11  VAL  69          HG11      VAL  69   0.844   8.311 -14.314
  537   HG12  VAL  69          HG12      VAL  69   0.462   6.657 -14.802
  538   HG13  VAL  69          HG13      VAL  69   0.368   7.124 -13.090
  539   HG21  VAL  69          HG21      VAL  69   2.514   8.001 -11.973
  540   HG22  VAL  69          HG22      VAL  69   4.083   7.668 -12.729
  541   HG23  VAL  69          HG23      VAL  69   3.031   8.881 -13.425
  542    H    GLU  70           H        GLU  70   0.228   4.220 -13.412
  543    HA   GLU  70           HA       GLU  70   0.579   3.317 -16.166
  544    HB2  GLU  70           HB2      GLU  70   1.544   1.434 -14.866
  545    HB3  GLU  70           HB3      GLU  70   0.096   1.365 -13.861
  546    HG2  GLU  70           HG2      GLU  70   0.105  -0.415 -15.538
  547    HG3  GLU  70           HG3      GLU  70  -1.256   0.664 -15.784
  548    H    ASN  71           H        ASN  71  -1.496   2.968 -17.139
  549    HA   ASN  71           HA       ASN  71  -3.732   4.154 -15.592
  550    HB2  ASN  71           HB2      ASN  71  -3.558   5.114 -17.782
  551    HB3  ASN  71           HB3      ASN  71  -3.446   3.516 -18.539
  552   HD21  ASN  71          HD22      ASN  71  -5.767   4.788 -15.975
  553   HD22  ASN  71          HD21      ASN  71  -7.182   4.428 -16.933
  554    H    ALA  72           H        ALA  72  -4.893   2.758 -14.405
  555    HA   ALA  72           HA       ALA  72  -4.788  -0.092 -14.750
  556    HB1  ALA  72           HB1      ALA  72  -6.597  -0.119 -13.080
  557    HB2  ALA  72           HB2      ALA  72  -5.277   0.953 -12.583
  558    HB3  ALA  72           HB3      ALA  72  -6.787   1.640 -13.229
  559    H    GLY  73           H        GLY  73  -7.026   2.425 -15.949
  560    HA2  GLY  73           HA2      GLY  73  -7.888   1.434 -18.259
  561    HA3  GLY  73           HA3      GLY  73  -8.872   0.471 -17.133
  562    H    GLY  74           H        GLY  74 -10.752   1.499 -17.969
  563    HA2  GLY  74           HA2      GLY  74 -11.228   4.292 -17.033
  564    HA3  GLY  74           HA3      GLY  74 -12.196   3.442 -18.244
  565    H    LEU  75           H        LEU  75 -13.218   4.592 -15.904
  566    HA   LEU  75           HA       LEU  75 -13.409   3.396 -13.566
  567    HB2  LEU  75           HB2      LEU  75 -14.576   5.446 -14.103
  568    HB3  LEU  75           HB3      LEU  75 -15.683   4.612 -15.188
  569    HG   LEU  75           HG       LEU  75 -16.691   3.399 -13.241
  570   HD11  LEU  75          HD11      LEU  75 -14.787   5.114 -11.597
  571   HD12  LEU  75          HD12      LEU  75 -16.155   4.173 -10.950
  572   HD13  LEU  75          HD13      LEU  75 -14.790   3.338 -11.690
  573   HD21  LEU  75          HD21      LEU  75 -17.809   5.372 -12.261
  574   HD22  LEU  75          HD22      LEU  75 -16.584   6.424 -13.008
  575   HD23  LEU  75          HD23      LEU  75 -17.685   5.475 -14.024
  576    H    LYS  76           H        LYS  76 -15.688   2.404 -16.187
  577    HA   LYS  76           HA       LYS  76 -16.658   0.233 -14.450
  578    HB2  LYS  76           HB2      LYS  76 -17.544   1.165 -17.209
  579    HB3  LYS  76           HB3      LYS  76 -18.314  -0.120 -16.269
  580    HG2  LYS  76           HG2      LYS  76 -18.762   1.499 -14.420
  581    HG3  LYS  76           HG3      LYS  76 -18.075   2.801 -15.410
  582    HD2  LYS  76           HD2      LYS  76 -19.779   2.348 -17.165
  583    HD3  LYS  76           HD3      LYS  76 -20.511   1.112 -16.140
  584    HE2  LYS  76           HE2      LYS  76 -20.234   4.073 -15.419
  585    HE3  LYS  76           HE3      LYS  76 -21.678   3.327 -16.104
  586    HZ1  LYS  76           HZ1      LYS  76 -21.979   3.451 -13.794
  587    HZ2  LYS  76           HZ2      LYS  76 -21.717   1.873 -14.094
  588    HZ3  LYS  76           HZ3      LYS  76 -20.538   2.809 -13.412
  589    H    ASP  77           H        ASP  77 -14.224   0.551 -16.869
  590    HA   ASP  77           HA       ASP  77 -14.404  -2.164 -17.928
  591    HB2  ASP  77           HB2      ASP  77 -13.407  -0.378 -19.268
  592    HB3  ASP  77           HB3      ASP  77 -12.197  -0.072 -18.020
  593    H    ILE  78           H        ILE  78 -12.661  -0.467 -15.302
  594    HA   ILE  78           HA       ILE  78 -10.867  -2.545 -14.607
  595    HB   ILE  78           HB       ILE  78 -12.125  -0.285 -13.009
  596   HG12  ILE  78          HG12      ILE  78  -9.259  -0.598 -14.028
  597   HG13  ILE  78          HG13      ILE  78 -10.508   0.139 -15.013
  598   HG21  ILE  78          HG21      ILE  78  -9.816  -2.109 -12.165
  599   HG22  ILE  78          HG22      ILE  78 -10.358  -0.655 -11.302
  600   HG23  ILE  78          HG23      ILE  78 -11.424  -2.041 -11.414
  601   HD11  ILE  78          HD11      ILE  78  -9.547   1.197 -12.334
  602   HD12  ILE  78          HD12      ILE  78  -9.253   1.862 -13.948
  603   HD13  ILE  78          HD13      ILE  78 -10.898   1.869 -13.282
  604    H    ALA  79           H        ALA  79 -11.152  -4.460 -13.684
  605    HA   ALA  79           HA       ALA  79 -13.846  -5.419 -13.142
  606    HB1  ALA  79           HB1      ALA  79 -12.295  -6.674 -14.589
  607    HB2  ALA  79           HB2      ALA  79 -11.159  -6.862 -13.232
  608    HB3  ALA  79           HB3      ALA  79 -12.762  -7.627 -13.171
  609    H    MET  80           H        MET  80 -13.611  -3.715 -11.199
  610    HA   MET  80           HA       MET  80 -13.191  -5.305  -8.726
  611    HB2  MET  80           HB2      MET  80 -12.113  -2.511  -9.308
  612    HB3  MET  80           HB3      MET  80 -12.301  -3.140  -7.678
  613    HG2  MET  80           HG2      MET  80 -10.760  -5.001  -8.189
  614    HG3  MET  80           HG3      MET  80 -10.578  -4.399  -9.837
  615    HE1  MET  80           HE1      MET  80  -8.866  -2.273  -6.074
  616    HE2  MET  80           HE2      MET  80 -10.610  -2.269  -6.391
  617    HE3  MET  80           HE3      MET  80  -9.774  -3.800  -6.037
  618    HA   PRO  81           HA       PRO  81 -17.126  -3.379  -7.788
  619    HB2  PRO  81           HB2      PRO  81 -17.052  -3.006  -5.055
  620    HB3  PRO  81           HB3      PRO  81 -17.259  -4.600  -5.841
  621    HG2  PRO  81           HG2      PRO  81 -14.705  -3.361  -4.783
  622    HG3  PRO  81           HG3      PRO  81 -15.327  -5.019  -4.510
  623    HD2  PRO  81           HD2      PRO  81 -13.452  -4.494  -6.394
  624    HD3  PRO  81           HD3      PRO  81 -14.740  -5.692  -6.698
  625    H    LYS  82           H        LYS  82 -18.109  -1.344  -6.923
  626    HA   LYS  82           HA       LYS  82 -16.213   0.929  -6.765
  627    HB2  LYS  82           HB2      LYS  82 -18.701   0.840  -8.546
  628    HB3  LYS  82           HB3      LYS  82 -17.722   2.250  -8.185
  629    HG2  LYS  82           HG2      LYS  82 -16.879   1.768 -10.221
  630    HG3  LYS  82           HG3      LYS  82 -15.738   0.883  -9.213
  631    HD2  LYS  82           HD2      LYS  82 -17.103  -1.208  -9.645
  632    HD3  LYS  82           HD3      LYS  82 -18.121  -0.263 -10.744
  633    HE2  LYS  82           HE2      LYS  82 -16.225   0.211 -12.197
  634    HE3  LYS  82           HE3      LYS  82 -15.093  -0.459 -11.019
  635    HZ1  LYS  82           HZ1      LYS  82 -17.097  -2.048 -12.512
  636    HZ2  LYS  82           HZ2      LYS  82 -15.455  -2.064 -12.718
  637    HZ3  LYS  82           HZ3      LYS  82 -16.093  -2.612 -11.328
  638    H    VAL  83           H        VAL  83 -17.144   2.821  -5.794
  639    HA   VAL  83           HA       VAL  83 -19.687   2.569  -4.336
  640    HB   VAL  83           HB       VAL  83 -18.634   3.303  -2.225
  641   HG11  VAL  83          HG11      VAL  83 -17.737   1.192  -1.484
  642   HG12  VAL  83          HG12      VAL  83 -19.071   0.880  -2.606
  643   HG13  VAL  83          HG13      VAL  83 -17.388   0.685  -3.151
  644   HG21  VAL  83          HG21      VAL  83 -16.193   3.072  -1.860
  645   HG22  VAL  83          HG22      VAL  83 -15.956   2.768  -3.596
  646   HG23  VAL  83          HG23      VAL  83 -16.575   4.334  -3.032
  647    H    LYS  84           H        LYS  84 -20.309   4.799  -3.464
  648    HA   LYS  84           HA       LYS  84 -19.100   7.010  -5.030
  649    HB2  LYS  84           HB2      LYS  84 -21.266   7.702  -5.859
  650    HB3  LYS  84           HB3      LYS  84 -20.886   6.080  -6.435
  651    HG2  LYS  84           HG2      LYS  84 -22.378   5.084  -4.769
  652    HG3  LYS  84           HG3      LYS  84 -22.808   6.694  -4.162
  653    HD2  LYS  84           HD2      LYS  84 -23.269   5.688  -7.005
  654    HD3  LYS  84           HD3      LYS  84 -24.489   5.709  -5.724
  655    HE2  LYS  84           HE2      LYS  84 -24.328   8.169  -5.565
  656    HE3  LYS  84           HE3      LYS  84 -23.070   8.183  -6.809
  657    HZ1  LYS  84           HZ1      LYS  84 -25.239   8.696  -7.730
  658    HZ2  LYS  84           HZ2      LYS  84 -24.674   7.314  -8.381
  659    HZ3  LYS  84           HZ3      LYS  84 -25.851   7.267  -7.243
  660    H    GLY  85           H        GLY  85 -20.043   9.134  -4.399
  661    HA2  GLY  85           HA2      GLY  85 -20.274  10.733  -2.785
  662    HA3  GLY  85           HA3      GLY  85 -21.384   9.628  -1.953
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1   3.086  -2.592  -4.857
    2    H2   ALA   1           H2       ALA   1   4.545  -2.258  -5.518
    3    H3   ALA   1           H3       ALA   1   4.462  -2.814  -3.971
    4    HA   ALA   1           HA       ALA   1   3.364  -0.844  -3.236
    5    HB1  ALA   1           HB1      ALA   1   5.152   0.824  -3.584
    6    HB2  ALA   1           HB2      ALA   1   5.825  -0.764  -3.175
    7    HB3  ALA   1           HB3      ALA   1   5.868  -0.185  -4.857
    8    H    GLU   2           H        GLU   2   1.451  -0.001  -3.976
    9    HA   GLU   2           HA       GLU   2   1.384   1.550  -6.419
   10    HB2  GLU   2           HB2      GLU   2  -0.309   0.213  -7.521
   11    HB3  GLU   2           HB3      GLU   2   1.121  -0.772  -7.286
   12    HG2  GLU   2           HG2      GLU   2  -1.433  -0.916  -5.639
   13    HG3  GLU   2           HG3      GLU   2  -0.968  -2.009  -6.930
   14    H    HIS   3           H        HIS   3  -0.710   2.647  -6.646
   15    HA   HIS   3           HA       HIS   3  -2.642   2.395  -4.424
   16    HB2  HIS   3           HB2      HIS   3  -1.243   4.979  -5.236
   17    HB3  HIS   3           HB3      HIS   3  -2.776   4.943  -4.371
   18    HD1  HIS   3           HD1      HIS   3  -2.570   3.505  -1.860
   19    HD2  HIS   3           HD2      HIS   3   0.825   5.200  -3.687
   20    HE1  HIS   3           HE1      HIS   3  -0.827   3.765  -0.028
   21    H    TRP   4           H        TRP   4  -4.648   2.378  -5.277
   22    HA   TRP   4           HA       TRP   4  -5.187   2.956  -8.093
   23    HB2  TRP   4           HB2      TRP   4  -6.981   2.302  -5.715
   24    HB3  TRP   4           HB3      TRP   4  -7.568   2.612  -7.339
   25    HD1  TRP   4           HD1      TRP   4  -5.638  -0.017  -5.332
   26    HE1  TRP   4           HE1      TRP   4  -5.604  -2.226  -6.598
   27    HE3  TRP   4           HE3      TRP   4  -7.796   1.544  -9.712
   28    HZ2  TRP   4           HZ2      TRP   4  -6.389  -3.211  -9.217
   29    HZ3  TRP   4           HZ3      TRP   4  -8.148  -0.062 -11.566
   30    HH2  TRP   4           HH2      TRP   4  -7.438  -2.431 -11.339
   31    H    ILE   5           H        ILE   5  -5.379   4.992  -8.800
   32    HA   ILE   5           HA       ILE   5  -6.201   7.153  -6.911
   33    HB   ILE   5           HB       ILE   5  -3.750   6.829  -8.651
   34   HG12  ILE   5          HG12      ILE   5  -4.021   8.147  -5.914
   35   HG13  ILE   5          HG13      ILE   5  -3.911   6.395  -6.068
   36   HG21  ILE   5          HG21      ILE   5  -4.669   8.952  -9.433
   37   HG22  ILE   5          HG22      ILE   5  -4.899   9.512  -7.770
   38   HG23  ILE   5          HG23      ILE   5  -3.265   9.256  -8.439
   39   HD11  ILE   5          HD11      ILE   5  -1.731   6.620  -7.192
   40   HD12  ILE   5          HD12      ILE   5  -1.809   8.391  -6.959
   41   HD13  ILE   5          HD13      ILE   5  -1.760   7.312  -5.559
   42    H    ASP   6           H        ASP   6  -8.156   7.733  -7.627
   43    HA   ASP   6           HA       ASP   6  -8.893   7.745 -10.457
   44    HB2  ASP   6           HB2      ASP   6 -10.523   7.450  -8.618
   45    HB3  ASP   6           HB3      ASP   6 -10.111   9.020  -7.987
   46    H    VAL   7           H        VAL   7  -8.959   9.700 -11.691
   47    HA   VAL   7           HA       VAL   7  -7.781  12.128 -10.486
   48    HB   VAL   7           HB       VAL   7  -6.350  12.552 -12.437
   49   HG11  VAL   7          HG11      VAL   7  -5.385  11.403 -10.418
   50   HG12  VAL   7          HG12      VAL   7  -5.648   9.851 -11.232
   51   HG13  VAL   7          HG13      VAL   7  -4.536  11.047 -11.929
   52   HG21  VAL   7          HG21      VAL   7  -6.838   9.665 -13.274
   53   HG22  VAL   7          HG22      VAL   7  -7.564  11.065 -14.076
   54   HG23  VAL   7          HG23      VAL   7  -5.806  10.880 -14.057
   55    H    ARG   8           H        ARG   8 -10.514  11.021 -11.537
   56    HA   ARG   8           HA       ARG   8 -11.416  12.781 -13.594
   57    HB2  ARG   8           HB2      ARG   8 -12.740  11.462 -11.193
   58    HB3  ARG   8           HB3      ARG   8 -13.641  12.588 -12.196
   59    HG2  ARG   8           HG2      ARG   8 -13.302  11.267 -14.193
   60    HG3  ARG   8           HG3      ARG   8 -12.260  10.147 -13.298
   61    HD2  ARG   8           HD2      ARG   8 -15.201  10.595 -12.729
   62    HD3  ARG   8           HD3      ARG   8 -14.537   9.254 -13.683
   63    HE   ARG   8           HE       ARG   8 -13.153   9.296 -11.226
   64   HH11  ARG   8          HH11      ARG   8 -16.552   8.701 -12.265
   65   HH12  ARG   8          HH12      ARG   8 -16.856   7.702 -10.865
   66   HH21  ARG   8          HH21      ARG   8 -13.725   8.205  -9.439
   67   HH22  ARG   8          HH22      ARG   8 -15.310   7.434  -9.272
   68    H    VAL   9           H        VAL   9 -12.668  14.707 -13.425
   69    HA   VAL   9           HA       VAL   9 -11.681  16.682 -11.653
   70    HB   VAL   9           HB       VAL   9 -13.633  18.037 -12.425
   71   HG11  VAL   9          HG11      VAL   9 -11.504  17.960 -13.686
   72   HG12  VAL   9          HG12      VAL   9 -12.127  16.618 -14.667
   73   HG13  VAL   9          HG13      VAL   9 -12.902  18.209 -14.745
   74   HG21  VAL   9          HG21      VAL   9 -15.329  16.273 -12.718
   75   HG22  VAL   9          HG22      VAL   9 -15.103  17.212 -14.194
   76   HG23  VAL   9          HG23      VAL   9 -14.401  15.590 -14.078
   77    HA   PRO  10           HA       PRO  10 -13.313  15.442  -7.919
   78    HB2  PRO  10           HB2      PRO  10 -14.327  17.657  -6.583
   79    HB3  PRO  10           HB3      PRO  10 -12.591  17.305  -6.837
   80    HG2  PRO  10           HG2      PRO  10 -14.401  19.073  -8.516
   81    HG3  PRO  10           HG3      PRO  10 -12.757  19.453  -7.869
   82    HD2  PRO  10           HD2      PRO  10 -13.070  18.637 -10.403
   83    HD3  PRO  10           HD3      PRO  10 -11.727  17.986  -9.422
   84    H    GLU  11           H        GLU  11 -15.844  17.351  -9.624
   85    HA   GLU  11           HA       GLU  11 -18.007  16.216  -8.070
   86    HB2  GLU  11           HB2      GLU  11 -17.846  17.665 -10.730
   87    HB3  GLU  11           HB3      GLU  11 -19.376  17.065 -10.046
   88    HG2  GLU  11           HG2      GLU  11 -18.971  18.427  -7.996
   89    HG3  GLU  11           HG3      GLU  11 -17.474  19.044  -8.697
   90    H    GLN  12           H        GLN  12 -16.124  14.992 -10.801
   91    HA   GLN  12           HA       GLN  12 -18.275  13.130 -11.599
   92    HB2  GLN  12           HB2      GLN  12 -15.498  13.715 -12.696
   93    HB3  GLN  12           HB3      GLN  12 -16.447  12.332 -13.225
   94    HG2  GLN  12           HG2      GLN  12 -17.417  15.215 -13.412
   95    HG3  GLN  12           HG3      GLN  12 -16.624  14.342 -14.719
   96   HE21  GLN  12          HE22      GLN  12 -19.670  15.153 -13.506
   97   HE22  GLN  12          HE21      GLN  12 -20.597  13.866 -14.234
   98    H    TYR  13           H        TYR  13 -15.150  13.292  -9.894
   99    HA   TYR  13           HA       TYR  13 -14.804  10.582  -9.269
  100    HB2  TYR  13           HB2      TYR  13 -13.014  11.861  -8.668
  101    HB3  TYR  13           HB3      TYR  13 -13.990  13.200  -8.131
  102    HD1  TYR  13           HD1      TYR  13 -13.314   9.611  -7.018
  103    HD2  TYR  13           HD2      TYR  13 -13.921  13.748  -5.903
  104    HE1  TYR  13           HE1      TYR  13 -12.811   9.060  -4.691
  105    HE2  TYR  13           HE2      TYR  13 -13.498  13.168  -3.536
  106    HH   TYR  13           HH       TYR  13 -12.689   9.823  -2.488
  107    H    GLN  14           H        GLN  14 -16.683  13.096  -7.526
  108    HA   GLN  14           HA       GLN  14 -17.534  11.392  -5.431
  109    HB2  GLN  14           HB2      GLN  14 -18.446  14.099  -6.462
  110    HB3  GLN  14           HB3      GLN  14 -19.205  13.350  -5.055
  111    HG2  GLN  14           HG2      GLN  14 -17.138  13.279  -3.823
  112    HG3  GLN  14           HG3      GLN  14 -16.211  13.811  -5.223
  113   HE21  GLN  14          HE22      GLN  14 -16.478  15.981  -6.013
  114   HE22  GLN  14          HE21      GLN  14 -17.067  17.264  -4.958
  115    H    GLN  15           H        GLN  15 -18.532  10.896  -8.554
  116    HA   GLN  15           HA       GLN  15 -21.390  10.446  -8.019
  117    HB2  GLN  15           HB2      GLN  15 -19.576   9.553 -10.297
  118    HB3  GLN  15           HB3      GLN  15 -21.327   9.336 -10.242
  119    HG2  GLN  15           HG2      GLN  15 -21.694  11.763 -10.247
  120    HG3  GLN  15           HG3      GLN  15 -19.967  12.080 -10.154
  121   HE21  GLN  15          HE22      GLN  15 -18.662  10.749 -11.949
  122   HE22  GLN  15          HE21      GLN  15 -19.266  11.106 -13.567
  123    H    GLU  16           H        GLU  16 -18.561   8.309  -8.744
  124    HA   GLU  16           HA       GLU  16 -18.966   6.575  -6.544
  125    HB2  GLU  16           HB2      GLU  16 -19.508   4.509  -7.775
  126    HB3  GLU  16           HB3      GLU  16 -20.810   5.678  -7.921
  127    HG2  GLU  16           HG2      GLU  16 -19.838   6.271 -10.231
  128    HG3  GLU  16           HG3      GLU  16 -18.762   4.879 -10.034
  129    H    HIS  17           H        HIS  17 -17.068   5.164  -6.393
  130    HA   HIS  17           HA       HIS  17 -15.148   5.216  -8.593
  131    HB2  HIS  17           HB2      HIS  17 -13.471   6.465  -7.634
  132    HB3  HIS  17           HB3      HIS  17 -14.884   7.406  -7.207
  133    HD1  HIS  17           HD1      HIS  17 -15.801   6.615  -4.487
  134    HD2  HIS  17           HD2      HIS  17 -11.800   6.587  -5.760
  135    HE1  HIS  17           HE1      HIS  17 -14.387   6.577  -2.375
  136    H    VAL  18           H        VAL  18 -13.087   3.968  -7.893
  137    HA   VAL  18           HA       VAL  18 -13.963   1.355  -7.201
  138    HB   VAL  18           HB       VAL  18 -11.186   2.559  -7.502
  139   HG11  VAL  18          HG11      VAL  18 -10.419   0.198  -7.854
  140   HG12  VAL  18          HG12      VAL  18 -10.884   0.563  -6.193
  141   HG13  VAL  18          HG13      VAL  18 -11.997  -0.349  -7.231
  142   HG21  VAL  18          HG21      VAL  18 -12.613   2.572  -9.570
  143   HG22  VAL  18          HG22      VAL  18 -11.232   1.489  -9.710
  144   HG23  VAL  18          HG23      VAL  18 -12.850   0.823  -9.390
  145    H    GLN  19           H        GLN  19 -13.832   0.171  -5.341
  146    HA   GLN  19           HA       GLN  19 -13.970   1.530  -2.859
  147    HB2  GLN  19           HB2      GLN  19 -15.053  -0.628  -3.272
  148    HB3  GLN  19           HB3      GLN  19 -13.489  -1.395  -3.551
  149    HG2  GLN  19           HG2      GLN  19 -14.333  -2.022  -1.384
  150    HG3  GLN  19           HG3      GLN  19 -12.870  -1.081  -1.184
  151   HE21  GLN  19          HE22      GLN  19 -15.958  -1.500   0.058
  152   HE22  GLN  19          HE21      GLN  19 -16.168   0.068   0.794
  153    H    GLY  20           H        GLY  20 -12.469   1.990  -1.313
  154    HA2  GLY  20           HA2      GLY  20 -10.499   2.186  -0.206
  155    HA3  GLY  20           HA3      GLY  20  -9.927   0.748  -1.060
  156    H    ALA  21           H        ALA  21 -10.755   3.081  -3.407
  157    HA   ALA  21           HA       ALA  21  -7.961   3.733  -3.961
  158    HB1  ALA  21           HB1      ALA  21  -8.927   4.898  -5.908
  159    HB2  ALA  21           HB2      ALA  21  -9.598   3.264  -5.757
  160    HB3  ALA  21           HB3      ALA  21 -10.555   4.672  -5.242
  161    H    ILE  22           H        ILE  22  -7.739   6.187  -4.686
  162    HA   ILE  22           HA       ILE  22  -8.939   8.096  -2.777
  163    HB   ILE  22           HB       ILE  22  -6.662   7.404  -1.974
  164   HG12  ILE  22          HG12      ILE  22  -6.833  10.328  -2.812
  165   HG13  ILE  22          HG13      ILE  22  -7.593   9.602  -1.390
  166   HG21  ILE  22          HG21      ILE  22  -5.571   8.809  -4.436
  167   HG22  ILE  22          HG22      ILE  22  -4.646   7.978  -3.168
  168   HG23  ILE  22          HG23      ILE  22  -5.653   7.040  -4.257
  169   HD11  ILE  22          HD11      ILE  22  -4.610   9.884  -1.949
  170   HD12  ILE  22          HD12      ILE  22  -5.565  10.726  -0.718
  171   HD13  ILE  22          HD13      ILE  22  -5.288   8.977  -0.571
  172    H    ASN  23           H        ASN  23  -8.474  10.443  -3.827
  173    HA   ASN  23           HA       ASN  23  -8.508  10.272  -6.804
  174    HB2  ASN  23           HB2      ASN  23 -10.774  10.270  -6.161
  175    HB3  ASN  23           HB3      ASN  23 -10.544  11.725  -5.168
  176   HD21  ASN  23          HD22      ASN  23 -10.746  13.660  -6.204
  177   HD22  ASN  23          HD21      ASN  23 -10.731  13.871  -7.961
  178    H    ILE  24           H        ILE  24  -7.498  11.812  -7.829
  179    HA   ILE  24           HA       ILE  24  -6.379  14.154  -6.399
  180    HB   ILE  24           HB       ILE  24  -4.734  12.180  -8.051
  181   HG12  ILE  24          HG12      ILE  24  -4.785  12.505  -5.021
  182   HG13  ILE  24          HG13      ILE  24  -5.298  11.081  -5.936
  183   HG21  ILE  24          HG21      ILE  24  -2.833  13.534  -7.373
  184   HG22  ILE  24          HG22      ILE  24  -4.064  14.602  -8.048
  185   HG23  ILE  24          HG23      ILE  24  -3.846  14.501  -6.289
  186   HD11  ILE  24          HD11      ILE  24  -2.476  12.109  -5.623
  187   HD12  ILE  24          HD12      ILE  24  -3.166  10.573  -5.068
  188   HD13  ILE  24          HD13      ILE  24  -2.937  10.864  -6.800
  189    HA   PRO  25           HA       PRO  25  -8.725  14.767 -10.311
  190    HB2  PRO  25           HB2      PRO  25  -8.607  17.658  -9.463
  191    HB3  PRO  25           HB3      PRO  25  -9.997  16.715 -10.065
  192    HG2  PRO  25           HG2      PRO  25  -9.685  17.326  -7.412
  193    HG3  PRO  25           HG3      PRO  25 -10.373  15.769  -7.950
  194    HD2  PRO  25           HD2      PRO  25  -7.581  16.375  -6.973
  195    HD3  PRO  25           HD3      PRO  25  -8.580  14.930  -6.675
  196    H    LEU  26           H        LEU  26  -7.977  15.310 -12.389
  197    HA   LEU  26           HA       LEU  26  -5.366  16.116 -12.909
  198    HB2  LEU  26           HB2      LEU  26  -6.838  15.088 -14.550
  199    HB3  LEU  26           HB3      LEU  26  -7.883  16.515 -14.564
  200    HG   LEU  26           HG       LEU  26  -5.983  17.852 -15.534
  201   HD11  LEU  26          HD11      LEU  26  -4.057  16.501 -14.751
  202   HD12  LEU  26          HD12      LEU  26  -4.615  15.123 -15.730
  203   HD13  LEU  26          HD13      LEU  26  -4.056  16.621 -16.509
  204   HD21  LEU  26          HD21      LEU  26  -6.182  16.942 -17.767
  205   HD22  LEU  26          HD22      LEU  26  -6.719  15.376 -17.125
  206   HD23  LEU  26          HD23      LEU  26  -7.739  16.817 -16.942
  207    H    LYS  27           H        LYS  27  -8.125  18.237 -12.164
  208    HA   LYS  27           HA       LYS  27  -6.798  20.686 -12.957
  209    HB2  LYS  27           HB2      LYS  27  -9.200  20.150 -11.152
  210    HB3  LYS  27           HB3      LYS  27  -8.632  21.762 -11.602
  211    HG2  LYS  27           HG2      LYS  27  -8.929  21.212 -14.008
  212    HG3  LYS  27           HG3      LYS  27  -9.595  19.631 -13.560
  213    HD2  LYS  27           HD2      LYS  27 -11.445  20.729 -12.349
  214    HD3  LYS  27           HD3      LYS  27 -10.751  22.326 -12.712
  215    HE2  LYS  27           HE2      LYS  27 -10.981  21.856 -15.151
  216    HE3  LYS  27           HE3      LYS  27 -11.725  20.298 -14.778
  217    HZ1  LYS  27           HZ1      LYS  27 -12.836  22.950 -14.045
  218    HZ2  LYS  27           HZ2      LYS  27 -13.387  21.988 -15.235
  219    HZ3  LYS  27           HZ3      LYS  27 -13.535  21.517 -13.682
  220    H    GLU  28           H        GLU  28  -6.263  18.642 -10.231
  221    HA   GLU  28           HA       GLU  28  -5.133  20.900  -8.619
  222    HB2  GLU  28           HB2      GLU  28  -6.613  18.406  -7.686
  223    HB3  GLU  28           HB3      GLU  28  -5.932  19.640  -6.638
  224    HG2  GLU  28           HG2      GLU  28  -8.267  19.980  -8.574
  225    HG3  GLU  28           HG3      GLU  28  -8.363  19.866  -6.830
  226    H    VAL  29           H        VAL  29  -4.569  17.813 -10.063
  227    HA   VAL  29           HA       VAL  29  -3.047  16.456  -8.328
  228    HB   VAL  29           HB       VAL  29  -3.899  15.633 -10.453
  229   HG11  VAL  29          HG11      VAL  29  -3.262  17.604 -11.885
  230   HG12  VAL  29          HG12      VAL  29  -1.591  17.014 -11.860
  231   HG13  VAL  29          HG13      VAL  29  -2.885  16.025 -12.575
  232   HG21  VAL  29          HG21      VAL  29  -2.066  14.185 -11.181
  233   HG22  VAL  29          HG22      VAL  29  -0.907  15.171 -10.264
  234   HG23  VAL  29          HG23      VAL  29  -2.184  14.257  -9.428
  235    H    LYS  30           H        LYS  30  -1.725  19.128 -10.312
  236    HA   LYS  30           HA       LYS  30   1.006  18.577  -9.788
  237    HB2  LYS  30           HB2      LYS  30  -0.383  21.239 -10.325
  238    HB3  LYS  30           HB3      LYS  30   1.367  20.988 -10.345
  239    HG2  LYS  30           HG2      LYS  30   1.122  19.312 -12.165
  240    HG3  LYS  30           HG3      LYS  30  -0.628  19.606 -12.195
  241    HD2  LYS  30           HD2      LYS  30  -0.226  21.987 -12.755
  242    HD3  LYS  30           HD3      LYS  30   1.528  21.696 -12.733
  243    HE2  LYS  30           HE2      LYS  30   1.274  20.031 -14.558
  244    HE3  LYS  30           HE3      LYS  30  -0.474  20.313 -14.579
  245    HZ1  LYS  30           HZ1      LYS  30   1.587  22.349 -15.217
  246    HZ2  LYS  30           HZ2      LYS  30   0.644  21.584 -16.303
  247    HZ3  LYS  30           HZ3      LYS  30  -0.027  22.610 -15.232
  248    H    GLU  31           H        GLU  31  -1.414  19.839  -7.613
  249    HA   GLU  31           HA       GLU  31   0.679  20.757  -5.692
  250    HB2  GLU  31           HB2      GLU  31  -2.299  21.393  -5.843
  251    HB3  GLU  31           HB3      GLU  31  -1.156  22.073  -4.693
  252    HG2  GLU  31           HG2      GLU  31  -1.213  22.552  -7.699
  253    HG3  GLU  31           HG3      GLU  31  -1.648  23.690  -6.435
  254    H    ARG  32           H        ARG  32  -0.862  17.964  -6.360
  255    HA   ARG  32           HA       ARG  32  -1.551  17.337  -3.507
  256    HB2  ARG  32           HB2      ARG  32  -3.483  18.099  -4.887
  257    HB3  ARG  32           HB3      ARG  32  -3.220  16.727  -5.962
  258    HG2  ARG  32           HG2      ARG  32  -3.648  15.178  -4.051
  259    HG3  ARG  32           HG3      ARG  32  -3.862  16.576  -2.975
  260    HD2  ARG  32           HD2      ARG  32  -5.833  17.303  -4.150
  261    HD3  ARG  32           HD3      ARG  32  -5.505  16.239  -5.510
  262    HE   ARG  32           HE       ARG  32  -6.200  14.351  -4.305
  263   HH11  ARG  32          HH11      ARG  32  -6.528  17.222  -2.238
  264   HH12  ARG  32          HH12      ARG  32  -7.742  16.516  -1.239
  265   HH21  ARG  32          HH21      ARG  32  -7.871  13.494  -3.127
  266   HH22  ARG  32          HH22      ARG  32  -8.486  14.293  -1.710
  267    H    ILE  33           H        ILE  33  -0.413  16.031  -6.677
  268    HA   ILE  33           HA       ILE  33  -0.454  13.344  -5.778
  269    HB   ILE  33           HB       ILE  33  -0.339  13.968  -8.126
  270   HG12  ILE  33          HG12      ILE  33   1.335  12.294  -8.891
  271   HG13  ILE  33          HG13      ILE  33   1.994  12.214  -7.269
  272   HG21  ILE  33          HG21      ILE  33   1.504  14.874  -9.277
  273   HG22  ILE  33          HG22      ILE  33   1.414  15.860  -7.836
  274   HG23  ILE  33          HG23      ILE  33   2.621  14.570  -7.927
  275   HD11  ILE  33          HD11      ILE  33  -0.865  11.493  -8.037
  276   HD12  ILE  33          HD12      ILE  33   0.465  10.340  -7.814
  277   HD13  ILE  33          HD13      ILE  33  -0.119  11.272  -6.431
  278    H    ALA  34           H        ALA  34   2.049  15.879  -5.444
  279    HA   ALA  34           HA       ALA  34   4.121  14.216  -4.504
  280    HB1  ALA  34           HB1      ALA  34   4.451  16.558  -5.205
  281    HB2  ALA  34           HB2      ALA  34   3.522  17.125  -3.793
  282    HB3  ALA  34           HB3      ALA  34   5.072  16.290  -3.566
  283    H    THR  35           H        THR  35   1.413  15.765  -2.680
  284    HA   THR  35           HA       THR  35   2.401  14.840  -0.121
  285    HB   THR  35           HB       THR  35  -0.076  15.575   0.464
  286    HG1  THR  35           HG1      THR  35  -0.814  15.735  -1.702
  287   HG21  THR  35          HG21      THR  35   0.658  17.934   0.526
  288   HG22  THR  35          HG22      THR  35   1.947  16.849   1.072
  289   HG23  THR  35          HG23      THR  35   2.016  17.552  -0.559
  290    H    ALA  36           H        ALA  36  -0.009  13.642  -2.521
  291    HA   ALA  36           HA       ALA  36  -1.050  11.599  -0.790
  292    HB1  ALA  36           HB1      ALA  36  -2.062  10.729  -2.868
  293    HB2  ALA  36           HB2      ALA  36  -2.279  12.488  -2.743
  294    HB3  ALA  36           HB3      ALA  36  -1.037  11.816  -3.828
  295    H    VAL  37           H        VAL  37   1.589  11.662  -3.207
  296    HA   VAL  37           HA       VAL  37   2.483   8.959  -2.371
  297    HB   VAL  37           HB       VAL  37   2.213   9.865  -5.273
  298   HG11  VAL  37          HG11      VAL  37   2.783   7.126  -4.041
  299   HG12  VAL  37          HG12      VAL  37   2.685   7.510  -5.774
  300   HG13  VAL  37          HG13      VAL  37   3.994   8.177  -4.798
  301   HG21  VAL  37          HG21      VAL  37  -0.064   9.524  -4.489
  302   HG22  VAL  37          HG22      VAL  37   0.431   8.169  -5.497
  303   HG23  VAL  37          HG23      VAL  37   0.389   7.978  -3.730
  304    HA   PRO  38           HA       PRO  38   5.874  12.142  -2.326
  305    HB2  PRO  38           HB2      PRO  38   6.801  10.272  -0.153
  306    HB3  PRO  38           HB3      PRO  38   6.846  12.060  -0.200
  307    HG2  PRO  38           HG2      PRO  38   4.976  10.754   1.280
  308    HG3  PRO  38           HG3      PRO  38   4.530  12.210   0.332
  309    HD2  PRO  38           HD2      PRO  38   4.111   9.300  -0.393
  310    HD3  PRO  38           HD3      PRO  38   2.983  10.680  -0.530
  311    H    ASP  39           H        ASP  39   5.927   8.561  -2.218
  312    HA   ASP  39           HA       ASP  39   8.676   8.384  -3.183
  313    HB2  ASP  39           HB2      ASP  39   7.910   6.750  -1.586
  314    HB3  ASP  39           HB3      ASP  39   6.557   6.286  -2.628
  315    H    LYS  40           H        LYS  40   8.965   9.025  -5.268
  316    HA   LYS  40           HA       LYS  40   7.010   8.749  -7.311
  317    HB2  LYS  40           HB2      LYS  40  10.011   9.225  -7.525
  318    HB3  LYS  40           HB3      LYS  40   8.858   9.390  -8.854
  319    HG2  LYS  40           HG2      LYS  40   7.600  11.109  -7.547
  320    HG3  LYS  40           HG3      LYS  40   8.821  11.007  -6.268
  321    HD2  LYS  40           HD2      LYS  40  10.565  11.705  -7.922
  322    HD3  LYS  40           HD3      LYS  40   9.283  11.900  -9.142
  323    HE2  LYS  40           HE2      LYS  40   8.135  13.538  -7.659
  324    HE3  LYS  40           HE3      LYS  40   9.417  13.348  -6.454
  325    HZ1  LYS  40           HZ1      LYS  40   9.766  14.424  -9.192
  326    HZ2  LYS  40           HZ2      LYS  40   9.784  15.299  -7.811
  327    HZ3  LYS  40           HZ3      LYS  40  10.983  14.232  -8.101
  328    H    ASN  41           H        ASN  41   9.029   6.269  -6.003
  329    HA   ASN  41           HA       ASN  41   9.132   4.696  -8.465
  330    HB2  ASN  41           HB2      ASN  41  10.900   4.450  -6.816
  331    HB3  ASN  41           HB3      ASN  41   9.724   3.989  -5.581
  332   HD21  ASN  41          HD22      ASN  41  10.342   2.852  -9.026
  333   HD22  ASN  41          HD21      ASN  41  10.468   1.185  -8.543
  334    H    ASP  42           H        ASP  42   6.653   5.406  -6.137
  335    HA   ASP  42           HA       ASP  42   5.363   2.856  -5.981
  336    HB2  ASP  42           HB2      ASP  42   4.920   4.788  -4.475
  337    HB3  ASP  42           HB3      ASP  42   4.158   5.628  -5.838
  338    H    THR  43           H        THR  43   3.649   2.000  -7.163
  339    HA   THR  43           HA       THR  43   3.583   2.786  -9.975
  340    HB   THR  43           HB       THR  43   1.992   0.541  -8.736
  341    HG1  THR  43           HG1      THR  43   4.002   0.133  -8.059
  342   HG21  THR  43          HG21      THR  43   3.238   0.924 -11.490
  343   HG22  THR  43          HG22      THR  43   2.297  -0.486 -10.954
  344   HG23  THR  43          HG23      THR  43   1.517   1.101 -11.095
  345    H    VAL  44           H        VAL  44   2.440   4.647 -10.223
  346    HA   VAL  44           HA       VAL  44   0.035   5.209  -8.711
  347    HB   VAL  44           HB       VAL  44   0.904   6.767 -11.160
  348   HG11  VAL  44          HG11      VAL  44  -0.100   7.759  -8.479
  349   HG12  VAL  44          HG12      VAL  44  -0.051   8.629 -10.021
  350   HG13  VAL  44          HG13      VAL  44  -1.206   7.304  -9.791
  351   HG21  VAL  44          HG21      VAL  44   2.365   8.171  -9.690
  352   HG22  VAL  44          HG22      VAL  44   2.256   6.915  -8.438
  353   HG23  VAL  44          HG23      VAL  44   3.024   6.567 -10.005
  354    H    LYS  45           H        LYS  45  -1.541   3.662  -9.162
  355    HA   LYS  45           HA       LYS  45  -2.143   2.814 -11.914
  356    HB2  LYS  45           HB2      LYS  45  -3.422   2.203  -9.216
  357    HB3  LYS  45           HB3      LYS  45  -4.003   1.545 -10.729
  358    HG2  LYS  45           HG2      LYS  45  -1.163   1.098  -9.708
  359    HG3  LYS  45           HG3      LYS  45  -2.530   0.056  -9.306
  360    HD2  LYS  45           HD2      LYS  45  -2.907  -0.380 -11.736
  361    HD3  LYS  45           HD3      LYS  45  -1.444   0.561 -12.114
  362    HE2  LYS  45           HE2      LYS  45  -0.061  -0.975 -10.811
  363    HE3  LYS  45           HE3      LYS  45  -1.489  -1.828 -10.213
  364    HZ1  LYS  45           HZ1      LYS  45  -0.421  -3.026 -12.016
  365    HZ2  LYS  45           HZ2      LYS  45  -1.922  -2.582 -12.468
  366    HZ3  LYS  45           HZ3      LYS  45  -0.617  -1.779 -13.056
  367    H    VAL  46           H        VAL  46  -2.587   4.918 -12.791
  368    HA   VAL  46           HA       VAL  46  -4.668   6.548 -11.582
  369    HB   VAL  46           HB       VAL  46  -4.356   7.988 -13.613
  370   HG11  VAL  46          HG11      VAL  46  -1.845   7.382 -12.007
  371   HG12  VAL  46          HG12      VAL  46  -2.242   8.907 -12.822
  372   HG13  VAL  46          HG13      VAL  46  -3.211   8.372 -11.441
  373   HG21  VAL  46          HG21      VAL  46  -2.363   7.720 -14.994
  374   HG22  VAL  46          HG22      VAL  46  -1.946   6.197 -14.185
  375   HG23  VAL  46          HG23      VAL  46  -3.399   6.307 -15.194
  376    H    TYR  47           H        TYR  47  -6.827   6.732 -12.193
  377    HA   TYR  47           HA       TYR  47  -7.683   5.642 -14.768
  378    HB2  TYR  47           HB2      TYR  47  -9.378   4.241 -13.976
  379    HB3  TYR  47           HB3      TYR  47  -7.917   3.726 -13.151
  380    HD1  TYR  47           HD1      TYR  47  -7.602   4.351 -10.693
  381    HD2  TYR  47           HD2      TYR  47 -11.315   4.997 -12.801
  382    HE1  TYR  47           HE1      TYR  47  -8.792   4.556  -8.532
  383    HE2  TYR  47           HE2      TYR  47 -12.507   5.223 -10.641
  384    HH   TYR  47           HH       TYR  47 -10.816   4.989  -7.492
  385    H    CYS  48           H        CYS  48 -10.033   6.290 -15.165
  386    HA   CYS  48           HA       CYS  48 -11.291   8.236 -13.544
  387    HB2  CYS  48           HB2      CYS  48 -10.976  10.237 -15.022
  388    HB3  CYS  48           HB3      CYS  48  -9.459   9.719 -14.305
  389    HG   CYS  48           HG       CYS  48  -8.641   8.300 -16.300
  390    H    ASN  49           H        ASN  49 -12.599   9.619 -15.777
  391    HA   ASN  49           HA       ASN  49 -14.282   7.446 -16.862
  392    HB2  ASN  49           HB2      ASN  49 -15.407   9.521 -16.119
  393    HB3  ASN  49           HB3      ASN  49 -14.388  10.479 -17.206
  394   HD21  ASN  49          HD22      ASN  49 -16.760   7.724 -17.218
  395   HD22  ASN  49          HD21      ASN  49 -17.372   8.070 -18.811
  396    H    ALA  50           H        ALA  50 -13.869   6.592 -18.819
  397    HA   ALA  50           HA       ALA  50 -12.890   6.038 -20.728
  398    HB1  ALA  50           HB1      ALA  50 -14.394   7.851 -21.463
  399    HB2  ALA  50           HB2      ALA  50 -13.055   9.014 -21.327
  400    HB3  ALA  50           HB3      ALA  50 -12.976   7.695 -22.512
  401    H    GLY  51           H        GLY  51 -10.914   7.108 -18.494
  402    HA2  GLY  51           HA2      GLY  51  -8.643   6.964 -18.262
  403    HA3  GLY  51           HA3      GLY  51  -8.536   6.410 -19.931
  404    H    ARG  52           H        ARG  52 -10.131   9.466 -19.919
  405    HA   ARG  52           HA       ARG  52  -7.775  10.619 -21.250
  406    HB2  ARG  52           HB2      ARG  52 -10.453  11.916 -20.586
  407    HB3  ARG  52           HB3      ARG  52  -9.198  12.564 -21.655
  408    HG2  ARG  52           HG2      ARG  52  -9.490  10.655 -23.200
  409    HG3  ARG  52           HG3      ARG  52 -10.721   9.956 -22.130
  410    HD2  ARG  52           HD2      ARG  52 -12.129  11.973 -22.426
  411    HD3  ARG  52           HD3      ARG  52 -10.927  12.636 -23.555
  412    HE   ARG  52           HE       ARG  52 -11.535  10.109 -24.535
  413   HH11  ARG  52          HH11      ARG  52 -13.374  13.080 -23.909
  414   HH12  ARG  52          HH12      ARG  52 -14.559  12.774 -25.123
  415   HH21  ARG  52          HH21      ARG  52 -13.114   9.697 -26.155
  416   HH22  ARG  52          HH22      ARG  52 -14.399  10.808 -26.432
  417    H    GLN  53           H        GLN  53  -9.277  11.241 -18.083
  418    HA   GLN  53           HA       GLN  53  -7.412  13.425 -17.627
  419    HB2  GLN  53           HB2      GLN  53  -8.990  11.825 -15.575
  420    HB3  GLN  53           HB3      GLN  53  -8.005  13.240 -15.259
  421    HG2  GLN  53           HG2      GLN  53 -10.113  14.181 -15.324
  422    HG3  GLN  53           HG3      GLN  53  -9.557  14.445 -16.987
  423   HE21  GLN  53          HE22      GLN  53 -10.684  13.294 -18.709
  424   HE22  GLN  53          HE21      GLN  53 -12.028  12.217 -18.389
  425    H    SER  54           H        SER  54  -7.345   9.901 -17.272
  426    HA   SER  54           HA       SER  54  -4.941   9.744 -15.718
  427    HB2  SER  54           HB2      SER  54  -6.037   7.681 -17.668
  428    HB3  SER  54           HB3      SER  54  -4.951   7.408 -16.304
  429    HG   SER  54           HG       SER  54  -6.681   8.234 -14.950
  430    H    GLY  55           H        GLY  55  -5.474   9.455 -19.303
  431    HA2  GLY  55           HA2      GLY  55  -2.726   9.173 -19.973
  432    HA3  GLY  55           HA3      GLY  55  -4.008   9.796 -21.034
  433    H    GLN  56           H        GLN  56  -4.830  12.075 -19.687
  434    HA   GLN  56           HA       GLN  56  -2.924  14.037 -20.320
  435    HB2  GLN  56           HB2      GLN  56  -5.517  13.908 -18.798
  436    HB3  GLN  56           HB3      GLN  56  -4.517  15.371 -18.630
  437    HG2  GLN  56           HG2      GLN  56  -4.469  15.688 -21.058
  438    HG3  GLN  56           HG3      GLN  56  -5.343  14.174 -21.310
  439   HE21  GLN  56          HE22      GLN  56  -7.527  14.022 -20.287
  440   HE22  GLN  56          HE21      GLN  56  -8.544  15.466 -20.288
  441    H    ALA  57           H        ALA  57  -3.742  12.645 -17.070
  442    HA   ALA  57           HA       ALA  57  -1.829  14.182 -15.645
  443    HB1  ALA  57           HB1      ALA  57  -2.192  12.547 -13.834
  444    HB2  ALA  57           HB2      ALA  57  -3.729  13.070 -14.549
  445    HB3  ALA  57           HB3      ALA  57  -3.052  11.475 -14.958
  446    H    LYS  58           H        LYS  58  -1.547  10.948 -17.241
  447    HA   LYS  58           HA       LYS  58   0.902  10.241 -16.089
  448    HB2  LYS  58           HB2      LYS  58  -0.471   8.671 -17.338
  449    HB3  LYS  58           HB3      LYS  58  -0.189   9.550 -18.850
  450    HG2  LYS  58           HG2      LYS  58   2.141   8.951 -18.876
  451    HG3  LYS  58           HG3      LYS  58   2.072   8.331 -17.216
  452    HD2  LYS  58           HD2      LYS  58   0.688   6.451 -17.901
  453    HD3  LYS  58           HD3      LYS  58   0.463   7.144 -19.510
  454    HE2  LYS  58           HE2      LYS  58   2.063   5.336 -19.645
  455    HE3  LYS  58           HE3      LYS  58   2.847   6.868 -20.027
  456    HZ1  LYS  58           HZ1      LYS  58   4.193   5.480 -18.580
  457    HZ2  LYS  58           HZ2      LYS  58   3.816   6.863 -17.810
  458    HZ3  LYS  58           HZ3      LYS  58   3.047   5.454 -17.418
  459    H    GLU  59           H        GLU  59   0.371  12.448 -18.862
  460    HA   GLU  59           HA       GLU  59   3.108  12.581 -19.634
  461    HB2  GLU  59           HB2      GLU  59   0.884  14.657 -19.847
  462    HB3  GLU  59           HB3      GLU  59   2.480  14.814 -20.592
  463    HG2  GLU  59           HG2      GLU  59   2.089  12.684 -21.841
  464    HG3  GLU  59           HG3      GLU  59   0.458  12.610 -21.176
  465    H    ILE  60           H        ILE  60   1.258  14.806 -17.377
  466    HA   ILE  60           HA       ILE  60   3.638  16.256 -16.755
  467    HB   ILE  60           HB       ILE  60   2.278  17.328 -15.040
  468   HG12  ILE  60          HG12      ILE  60   0.136  15.315 -15.781
  469   HG13  ILE  60          HG13      ILE  60   0.953  15.437 -14.205
  470   HG21  ILE  60          HG21      ILE  60   0.713  17.026 -17.641
  471   HG22  ILE  60          HG22      ILE  60   0.764  18.439 -16.570
  472   HG23  ILE  60          HG23      ILE  60   2.204  17.977 -17.473
  473   HD11  ILE  60          HD11      ILE  60  -1.274  16.306 -14.129
  474   HD12  ILE  60          HD12      ILE  60  -0.106  17.616 -13.842
  475   HD13  ILE  60          HD13      ILE  60  -0.954  17.457 -15.422
  476    H    LEU  61           H        LEU  61   2.073  13.409 -15.220
  477    HA   LEU  61           HA       LEU  61   3.736  13.551 -12.870
  478    HB2  LEU  61           HB2      LEU  61   2.246  11.220 -14.135
  479    HB3  LEU  61           HB3      LEU  61   3.099  11.157 -12.585
  480    HG   LEU  61           HG       LEU  61   0.586  12.731 -13.224
  481   HD11  LEU  61          HD11      LEU  61   1.217  10.586 -11.160
  482   HD12  LEU  61          HD12      LEU  61  -0.357  11.370 -11.425
  483   HD13  LEU  61          HD13      LEU  61   0.332  10.332 -12.681
  484   HD21  LEU  61          HD21      LEU  61   0.669  13.474 -10.857
  485   HD22  LEU  61          HD22      LEU  61   2.377  12.956 -10.796
  486   HD23  LEU  61          HD23      LEU  61   1.857  14.254 -11.897
  487    H    SER  62           H        SER  62   4.162  11.966 -16.066
  488    HA   SER  62           HA       SER  62   6.603  10.638 -15.351
  489    HB2  SER  62           HB2      SER  62   5.707  11.663 -18.076
  490    HB3  SER  62           HB3      SER  62   6.980  10.471 -17.757
  491    HG   SER  62           HG       SER  62   4.188  10.273 -17.343
  492    H    GLU  63           H        GLU  63   5.878  13.943 -16.632
  493    HA   GLU  63           HA       GLU  63   8.596  14.765 -16.858
  494    HB2  GLU  63           HB2      GLU  63   6.630  15.876 -17.906
  495    HB3  GLU  63           HB3      GLU  63   6.118  16.459 -16.318
  496    HG2  GLU  63           HG2      GLU  63   8.216  17.745 -16.094
  497    HG3  GLU  63           HG3      GLU  63   8.787  17.106 -17.638
  498    H    MET  64           H        MET  64   6.278  14.926 -14.112
  499    HA   MET  64           HA       MET  64   8.071  16.212 -12.273
  500    HB2  MET  64           HB2      MET  64   5.583  14.506 -11.879
  501    HB3  MET  64           HB3      MET  64   6.464  15.256 -10.546
  502    HG2  MET  64           HG2      MET  64   6.085  17.482 -11.448
  503    HG3  MET  64           HG3      MET  64   5.343  16.822 -12.894
  504    HE1  MET  64           HE1      MET  64   4.964  17.789  -9.188
  505    HE2  MET  64           HE2      MET  64   3.404  17.095  -8.705
  506    HE3  MET  64           HE3      MET  64   4.803  16.031  -8.964
  507    H    GLY  65           H        GLY  65   8.024  12.958 -13.498
  508    HA2  GLY  65           HA2      GLY  65  10.050  11.769 -13.327
  509    HA3  GLY  65           HA3      GLY  65  10.297  12.349 -11.680
  510    H    TYR  66           H        TYR  66   7.026  11.267 -12.229
  511    HA   TYR  66           HA       TYR  66   7.472   8.860 -10.597
  512    HB2  TYR  66           HB2      TYR  66   4.989   9.922 -11.987
  513    HB3  TYR  66           HB3      TYR  66   5.077   8.448 -11.020
  514    HD1  TYR  66           HD1      TYR  66   5.394  12.180 -10.834
  515    HD2  TYR  66           HD2      TYR  66   4.942   8.487  -8.648
  516    HE1  TYR  66           HE1      TYR  66   5.011  13.465  -8.751
  517    HE2  TYR  66           HE2      TYR  66   4.563   9.761  -6.567
  518    HH   TYR  66           HH       TYR  66   4.474  11.840  -5.586
  519    H    THR  67           H        THR  67   8.626   7.308 -11.660
  520    HA   THR  67           HA       THR  67   8.427   7.005 -14.521
  521    HB   THR  67           HB       THR  67  10.217   5.147 -13.818
  522    HG1  THR  67           HG1      THR  67  10.099   5.108 -11.649
  523   HG21  THR  67          HG21      THR  67  11.928   6.923 -13.738
  524   HG22  THR  67          HG22      THR  67  10.724   7.260 -14.991
  525   HG23  THR  67          HG23      THR  67  10.668   8.145 -13.450
  526    H    HIS  68           H        HIS  68   6.278   5.887 -12.313
  527    HA   HIS  68           HA       HIS  68   5.795   3.334 -13.755
  528    HB2  HIS  68           HB2      HIS  68   5.621   3.608 -10.738
  529    HB3  HIS  68           HB3      HIS  68   5.574   2.126 -11.689
  530    HD1  HIS  68           HD1      HIS  68   8.048   1.156 -12.415
  531    HD2  HIS  68           HD2      HIS  68   7.956   4.828 -10.371
  532    HE1  HIS  68           HE1      HIS  68  10.463   1.693 -11.811
  533    H    VAL  69           H        VAL  69   4.483   5.831 -14.117
  534    HA   VAL  69           HA       VAL  69   1.831   5.589 -12.841
  535    HB   VAL  69           HB       VAL  69   2.729   7.305 -15.197
  536   HG11  VAL  69          HG11      VAL  69   0.294   7.064 -15.124
  537   HG12  VAL  69          HG12      VAL  69   0.271   7.442 -13.388
  538   HG13  VAL  69          HG13      VAL  69   0.721   8.684 -14.565
  539   HG21  VAL  69          HG21      VAL  69   4.018   7.877 -13.142
  540   HG22  VAL  69          HG22      VAL  69   2.955   9.151 -13.686
  541   HG23  VAL  69          HG23      VAL  69   2.487   8.163 -12.284
  542    H    GLU  70           H        GLU  70   0.216   4.310 -13.706
  543    HA   GLU  70           HA       GLU  70   0.453   3.362 -16.507
  544    HB2  GLU  70           HB2      GLU  70   1.594   1.689 -15.084
  545    HB3  GLU  70           HB3      GLU  70   0.166   1.576 -14.044
  546    HG2  GLU  70           HG2      GLU  70  -1.165   0.704 -15.932
  547    HG3  GLU  70           HG3      GLU  70   0.204   0.930 -17.028
  548    H    ASN  71           H        ASN  71  -1.550   3.472 -17.459
  549    HA   ASN  71           HA       ASN  71  -3.808   4.301 -15.819
  550    HB2  ASN  71           HB2      ASN  71  -3.673   5.308 -18.002
  551    HB3  ASN  71           HB3      ASN  71  -3.593   3.720 -18.787
  552   HD21  ASN  71          HD22      ASN  71  -5.798   5.029 -16.139
  553   HD22  ASN  71          HD21      ASN  71  -7.251   4.619 -17.011
  554    H    ALA  72           H        ALA  72  -4.833   2.853 -14.599
  555    HA   ALA  72           HA       ALA  72  -4.708   0.015 -15.031
  556    HB1  ALA  72           HB1      ALA  72  -5.042   1.037 -12.808
  557    HB2  ALA  72           HB2      ALA  72  -6.629   1.658 -13.319
  558    HB3  ALA  72           HB3      ALA  72  -6.347  -0.093 -13.209
  559    H    GLY  73           H        GLY  73  -7.005   2.534 -16.063
  560    HA2  GLY  73           HA2      GLY  73  -8.080   1.524 -18.281
  561    HA3  GLY  73           HA3      GLY  73  -8.983   0.610 -17.056
  562    H    GLY  74           H        GLY  74 -10.934   1.676 -17.648
  563    HA2  GLY  74           HA2      GLY  74 -11.187   4.431 -16.542
  564    HA3  GLY  74           HA3      GLY  74 -12.154   3.865 -17.911
  565    H    LEU  75           H        LEU  75 -13.338   4.772 -15.596
  566    HA   LEU  75           HA       LEU  75 -13.772   3.293 -13.412
  567    HB2  LEU  75           HB2      LEU  75 -14.777   5.517 -13.968
  568    HB3  LEU  75           HB3      LEU  75 -15.953   4.715 -14.994
  569    HG   LEU  75           HG       LEU  75 -16.805   3.484 -12.872
  570   HD11  LEU  75          HD11      LEU  75 -14.841   3.782 -11.429
  571   HD12  LEU  75          HD12      LEU  75 -15.015   5.548 -11.524
  572   HD13  LEU  75          HD13      LEU  75 -16.259   4.565 -10.721
  573   HD21  LEU  75          HD21      LEU  75 -18.047   5.267 -13.849
  574   HD22  LEU  75          HD22      LEU  75 -18.006   5.548 -12.106
  575   HD23  LEU  75          HD23      LEU  75 -16.957   6.492 -13.192
  576    H    LYS  76           H        LYS  76 -15.718   2.754 -16.405
  577    HA   LYS  76           HA       LYS  76 -17.201   0.577 -15.179
  578    HB2  LYS  76           HB2      LYS  76 -18.110   2.143 -16.905
  579    HB3  LYS  76           HB3      LYS  76 -17.019   1.432 -18.106
  580    HG2  LYS  76           HG2      LYS  76 -18.135  -0.759 -17.841
  581    HG3  LYS  76           HG3      LYS  76 -19.168  -0.092 -16.560
  582    HD2  LYS  76           HD2      LYS  76 -20.147   1.505 -18.188
  583    HD3  LYS  76           HD3      LYS  76 -19.102   0.843 -19.466
  584    HE2  LYS  76           HE2      LYS  76 -20.143  -1.394 -19.150
  585    HE3  LYS  76           HE3      LYS  76 -21.181  -0.735 -17.879
  586    HZ1  LYS  76           HZ1      LYS  76 -22.331  -0.839 -19.994
  587    HZ2  LYS  76           HZ2      LYS  76 -22.184   0.719 -19.544
  588    HZ3  LYS  76           HZ3      LYS  76 -21.225   0.109 -20.720
  589    H    ASP  77           H        ASP  77 -14.357   0.821 -17.305
  590    HA   ASP  77           HA       ASP  77 -14.414  -1.912 -18.220
  591    HB2  ASP  77           HB2      ASP  77 -13.324  -0.143 -19.504
  592    HB3  ASP  77           HB3      ASP  77 -12.207   0.182 -18.175
  593    H    ILE  78           H        ILE  78 -12.813  -0.214 -15.530
  594    HA   ILE  78           HA       ILE  78 -11.046  -2.294 -14.721
  595    HB   ILE  78           HB       ILE  78 -12.299   0.127 -13.387
  596   HG12  ILE  78          HG12      ILE  78  -9.387  -0.525 -14.052
  597   HG13  ILE  78          HG13      ILE  78 -10.472   0.242 -15.204
  598   HG21  ILE  78          HG21      ILE  78 -10.750  -0.189 -11.457
  599   HG22  ILE  78          HG22      ILE  78 -11.987  -1.423 -11.544
  600   HG23  ILE  78          HG23      ILE  78 -10.319  -1.795 -12.077
  601   HD11  ILE  78          HD11      ILE  78  -9.668   1.428 -12.523
  602   HD12  ILE  78          HD12      ILE  78  -9.131   1.911 -14.135
  603   HD13  ILE  78          HD13      ILE  78 -10.829   2.138 -13.668
  604    H    ALA  79           H        ALA  79 -11.409  -4.184 -13.701
  605    HA   ALA  79           HA       ALA  79 -14.128  -5.060 -13.275
  606    HB1  ALA  79           HB1      ALA  79 -11.470  -6.462 -12.740
  607    HB2  ALA  79           HB2      ALA  79 -13.067  -7.232 -12.823
  608    HB3  ALA  79           HB3      ALA  79 -12.373  -6.493 -14.276
  609    H    MET  80           H        MET  80 -11.949  -3.452 -11.185
  610    HA   MET  80           HA       MET  80 -12.374  -4.785  -8.714
  611    HB2  MET  80           HB2      MET  80 -11.830  -1.836  -9.286
  612    HB3  MET  80           HB3      MET  80 -11.732  -2.578  -7.701
  613    HG2  MET  80           HG2      MET  80 -10.020  -3.385 -10.076
  614    HG3  MET  80           HG3      MET  80  -9.529  -2.277  -8.805
  615    HE1  MET  80           HE1      MET  80  -8.921  -4.455  -5.709
  616    HE2  MET  80           HE2      MET  80  -8.689  -2.882  -6.502
  617    HE3  MET  80           HE3      MET  80 -10.323  -3.423  -6.054
  618    HA   PRO  81           HA       PRO  81 -16.526  -3.393  -7.658
  619    HB2  PRO  81           HB2      PRO  81 -16.435  -3.284  -4.913
  620    HB3  PRO  81           HB3      PRO  81 -16.458  -4.817  -5.836
  621    HG2  PRO  81           HG2      PRO  81 -14.053  -3.366  -4.696
  622    HG3  PRO  81           HG3      PRO  81 -14.464  -5.105  -4.559
  623    HD2  PRO  81           HD2      PRO  81 -12.709  -4.171  -6.419
  624    HD3  PRO  81           HD3      PRO  81 -13.820  -5.521  -6.790
  625    H    LYS  82           H        LYS  82 -17.659  -1.532  -6.654
  626    HA   LYS  82           HA       LYS  82 -15.975   0.892  -6.288
  627    HB2  LYS  82           HB2      LYS  82 -18.505   0.734  -8.002
  628    HB3  LYS  82           HB3      LYS  82 -17.644   2.195  -7.566
  629    HG2  LYS  82           HG2      LYS  82 -16.822   1.932  -9.654
  630    HG3  LYS  82           HG3      LYS  82 -15.580   1.057  -8.755
  631    HD2  LYS  82           HD2      LYS  82 -16.795  -1.088  -9.288
  632    HD3  LYS  82           HD3      LYS  82 -17.973  -0.159 -10.226
  633    HE2  LYS  82           HE2      LYS  82 -16.282   0.537 -11.808
  634    HE3  LYS  82           HE3      LYS  82 -14.980  -0.074 -10.775
  635    HZ1  LYS  82           HZ1      LYS  82 -15.429  -1.614 -12.553
  636    HZ2  LYS  82           HZ2      LYS  82 -15.767  -2.289 -11.112
  637    HZ3  LYS  82           HZ3      LYS  82 -17.001  -1.785 -12.094
  638    H    VAL  83           H        VAL  83 -17.262   2.662  -5.329
  639    HA   VAL  83           HA       VAL  83 -19.657   1.843  -3.794
  640    HB   VAL  83           HB       VAL  83 -18.820   3.260  -1.902
  641   HG11  VAL  83          HG11      VAL  83 -17.063   0.836  -2.473
  642   HG12  VAL  83          HG12      VAL  83 -17.428   1.549  -0.889
  643   HG13  VAL  83          HG13      VAL  83 -18.718   0.783  -1.828
  644   HG21  VAL  83          HG21      VAL  83 -17.028   4.535  -3.068
  645   HG22  VAL  83          HG22      VAL  83 -16.427   3.707  -1.626
  646   HG23  VAL  83          HG23      VAL  83 -16.073   3.048  -3.233
  647    H    LYS  84           H        LYS  84 -21.109   3.665  -3.488
  648    HA   LYS  84           HA       LYS  84 -20.937   5.739  -5.546
  649    HB2  LYS  84           HB2      LYS  84 -22.751   5.549  -3.101
  650    HB3  LYS  84           HB3      LYS  84 -22.939   6.666  -4.442
  651    HG2  LYS  84           HG2      LYS  84 -23.258   3.636  -4.526
  652    HG3  LYS  84           HG3      LYS  84 -24.538   4.833  -4.602
  653    HD2  LYS  84           HD2      LYS  84 -22.432   4.312  -6.743
  654    HD3  LYS  84           HD3      LYS  84 -24.137   3.863  -6.782
  655    HE2  LYS  84           HE2      LYS  84 -24.693   6.353  -6.573
  656    HE3  LYS  84           HE3      LYS  84 -22.978   6.680  -6.850
  657    HZ1  LYS  84           HZ1      LYS  84 -24.813   5.299  -8.721
  658    HZ2  LYS  84           HZ2      LYS  84 -24.192   6.792  -8.909
  659    HZ3  LYS  84           HZ3      LYS  84 -23.211   5.481  -9.004
  660    H    GLY  85           H        GLY  85 -20.477   7.950  -5.160
  661    HA2  GLY  85           HA2      GLY  85 -19.133   9.614  -4.320
  662    HA3  GLY  85           HA3      GLY  85 -19.588   9.081  -2.692
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1   4.449  -2.645  -3.505
    2    H2   ALA   1           H2       ALA   1   4.809  -1.103  -3.110
    3    H3   ALA   1           H3       ALA   1   4.933  -2.298  -1.970
    4    HA   ALA   1           HA       ALA   1   2.565  -2.686  -2.101
    5    HB1  ALA   1           HB1      ALA   1   3.459  -1.176  -0.353
    6    HB2  ALA   1           HB2      ALA   1   3.262   0.211  -1.443
    7    HB3  ALA   1           HB3      ALA   1   1.843  -0.696  -0.873
    8    H    GLU   2           H        GLU   2   0.860  -0.194  -2.552
    9    HA   GLU   2           HA       GLU   2   0.866   0.189  -5.434
   10    HB2  GLU   2           HB2      GLU   2  -0.144  -2.086  -5.139
   11    HB3  GLU   2           HB3      GLU   2  -1.337  -1.407  -4.033
   12    HG2  GLU   2           HG2      GLU   2  -2.307  -0.077  -5.863
   13    HG3  GLU   2           HG3      GLU   2  -1.027  -0.611  -6.959
   14    H    HIS   3           H        HIS   3  -0.706   1.850  -5.989
   15    HA   HIS   3           HA       HIS   3  -2.373   3.038  -3.873
   16    HB2  HIS   3           HB2      HIS   3  -0.464   4.604  -5.672
   17    HB3  HIS   3           HB3      HIS   3  -1.789   5.323  -4.776
   18    HD1  HIS   3           HD1      HIS   3  -1.385   5.800  -2.186
   19    HD2  HIS   3           HD2      HIS   3   1.723   3.811  -4.218
   20    HE1  HIS   3           HE1      HIS   3   0.640   5.883  -0.649
   21    H    TRP   4           H        TRP   4  -4.279   3.908  -4.812
   22    HA   TRP   4           HA       TRP   4  -4.598   3.685  -7.769
   23    HB2  TRP   4           HB2      TRP   4  -6.654   3.099  -5.585
   24    HB3  TRP   4           HB3      TRP   4  -7.051   3.347  -7.266
   25    HD1  TRP   4           HD1      TRP   4  -5.019   0.896  -5.082
   26    HE1  TRP   4           HE1      TRP   4  -4.884  -1.381  -6.216
   27    HE3  TRP   4           HE3      TRP   4  -7.412   2.058  -9.463
   28    HZ2  TRP   4           HZ2      TRP   4  -5.853  -2.606  -8.668
   29    HZ3  TRP   4           HZ3      TRP   4  -7.782   0.311 -11.180
   30    HH2  TRP   4           HH2      TRP   4  -7.014  -2.019 -10.797
   31    H    ILE   5           H        ILE   5  -4.908   5.678  -8.586
   32    HA   ILE   5           HA       ILE   5  -5.991   7.813  -6.810
   33    HB   ILE   5           HB       ILE   5  -3.889   8.081  -8.980
   34   HG12  ILE   5          HG12      ILE   5  -3.509   8.304  -5.958
   35   HG13  ILE   5          HG13      ILE   5  -2.939   6.973  -6.968
   36   HG21  ILE   5          HG21      ILE   5  -3.781  10.428  -8.327
   37   HG22  ILE   5          HG22      ILE   5  -5.464  10.039  -8.661
   38   HG23  ILE   5          HG23      ILE   5  -4.916  10.143  -6.986
   39   HD11  ILE   5          HD11      ILE   5  -1.083   8.398  -6.561
   40   HD12  ILE   5          HD12      ILE   5  -1.551   8.648  -8.258
   41   HD13  ILE   5          HD13      ILE   5  -1.984   9.847  -7.016
   42    H    ASP   6           H        ASP   6  -8.014   8.153  -7.486
   43    HA   ASP   6           HA       ASP   6  -8.867   7.727 -10.288
   44    HB2  ASP   6           HB2      ASP   6 -10.448   7.246  -8.483
   45    HB3  ASP   6           HB3      ASP   6 -10.239   8.870  -7.823
   46    H    VAL   7           H        VAL   7  -8.376   9.311 -11.752
   47    HA   VAL   7           HA       VAL   7  -7.765  12.029 -10.698
   48    HB   VAL   7           HB       VAL   7  -6.337  12.384 -12.609
   49   HG11  VAL   7          HG11      VAL   7  -4.495  10.908 -12.019
   50   HG12  VAL   7          HG12      VAL   7  -5.349  11.382 -10.552
   51   HG13  VAL   7          HG13      VAL   7  -5.597   9.764 -11.229
   52   HG21  VAL   7          HG21      VAL   7  -6.792   9.466 -13.346
   53   HG22  VAL   7          HG22      VAL   7  -7.420  10.864 -14.251
   54   HG23  VAL   7          HG23      VAL   7  -5.679  10.622 -14.110
   55    H    ARG   8           H        ARG   8 -10.467  10.696 -11.608
   56    HA   ARG   8           HA       ARG   8 -11.488  12.375 -13.695
   57    HB2  ARG   8           HB2      ARG   8 -12.726  11.069 -11.232
   58    HB3  ARG   8           HB3      ARG   8 -13.669  12.185 -12.198
   59    HG2  ARG   8           HG2      ARG   8 -13.392  10.903 -14.212
   60    HG3  ARG   8           HG3      ARG   8 -12.306   9.787 -13.369
   61    HD2  ARG   8           HD2      ARG   8 -15.237  10.165 -12.738
   62    HD3  ARG   8           HD3      ARG   8 -14.548   8.830 -13.682
   63    HE   ARG   8           HE       ARG   8 -13.169   8.923 -11.217
   64   HH11  ARG   8          HH11      ARG   8 -16.513   8.209 -12.365
   65   HH12  ARG   8          HH12      ARG   8 -16.897   7.348 -10.899
   66   HH21  ARG   8          HH21      ARG   8 -13.843   7.957  -9.345
   67   HH22  ARG   8          HH22      ARG   8 -15.440   7.209  -9.215
   68    H    VAL   9           H        VAL   9 -12.793  14.235 -13.528
   69    HA   VAL   9           HA       VAL   9 -11.888  16.327 -11.879
   70    HB   VAL   9           HB       VAL   9 -13.983  17.491 -12.560
   71   HG11  VAL   9          HG11      VAL   9 -12.526  16.102 -14.854
   72   HG12  VAL   9          HG12      VAL   9 -13.423  17.630 -14.927
   73   HG13  VAL   9          HG13      VAL   9 -11.942  17.526 -13.965
   74   HG21  VAL   9          HG21      VAL   9 -14.656  14.916 -14.055
   75   HG22  VAL   9          HG22      VAL   9 -15.547  15.594 -12.670
   76   HG23  VAL   9          HG23      VAL   9 -15.492  16.473 -14.199
   77    HA   PRO  10           HA       PRO  10 -13.215  14.978  -8.050
   78    HB2  PRO  10           HB2      PRO  10 -13.996  17.202  -6.599
   79    HB3  PRO  10           HB3      PRO  10 -12.310  16.813  -7.043
   80    HG2  PRO  10           HG2      PRO  10 -14.226  18.700  -8.434
   81    HG3  PRO  10           HG3      PRO  10 -12.475  18.953  -8.039
   82    HD2  PRO  10           HD2      PRO  10 -13.359  18.215 -10.512
   83    HD3  PRO  10           HD3      PRO  10 -11.802  17.650  -9.862
   84    H    GLU  11           H        GLU  11 -15.715  16.958  -9.615
   85    HA   GLU  11           HA       GLU  11 -17.894  16.029  -7.978
   86    HB2  GLU  11           HB2      GLU  11 -17.693  17.326 -10.709
   87    HB3  GLU  11           HB3      GLU  11 -19.243  16.940  -9.936
   88    HG2  GLU  11           HG2      GLU  11 -17.089  18.807  -8.828
   89    HG3  GLU  11           HG3      GLU  11 -18.567  19.313  -9.631
   90    H    GLN  12           H        GLN  12 -16.129  14.440 -10.575
   91    HA   GLN  12           HA       GLN  12 -18.431  12.638 -11.132
   92    HB2  GLN  12           HB2      GLN  12 -15.717  12.967 -12.466
   93    HB3  GLN  12           HB3      GLN  12 -16.800  11.604 -12.762
   94    HG2  GLN  12           HG2      GLN  12 -18.589  13.105 -13.512
   95    HG3  GLN  12           HG3      GLN  12 -17.575  14.510 -13.198
   96   HE21  GLN  12          HE22      GLN  12 -18.064  14.950 -15.562
   97   HE22  GLN  12          HE21      GLN  12 -17.042  14.196 -16.759
   98    H    TYR  13           H        TYR  13 -15.182  12.781  -9.619
   99    HA   TYR  13           HA       TYR  13 -14.874  10.104  -8.902
  100    HB2  TYR  13           HB2      TYR  13 -13.056  11.389  -8.345
  101    HB3  TYR  13           HB3      TYR  13 -14.020  12.721  -7.768
  102    HD1  TYR  13           HD2      TYR  13 -13.167   9.146  -6.747
  103    HD2  TYR  13           HD1      TYR  13 -14.142  13.178  -5.512
  104    HE1  TYR  13           HE2      TYR  13 -12.683   8.552  -4.413
  105    HE2  TYR  13           HE1      TYR  13 -13.732  12.552  -3.155
  106    HH   TYR  13           HH       TYR  13 -12.659   9.254  -2.195
  107    H    GLN  14           H        GLN  14 -16.744  12.650  -7.215
  108    HA   GLN  14           HA       GLN  14 -17.498  11.113  -4.989
  109    HB2  GLN  14           HB2      GLN  14 -18.753  13.515  -6.365
  110    HB3  GLN  14           HB3      GLN  14 -19.402  12.859  -4.862
  111    HG2  GLN  14           HG2      GLN  14 -17.432  13.356  -3.621
  112    HG3  GLN  14           HG3      GLN  14 -16.482  13.660  -5.073
  113   HE21  GLN  14          HE22      GLN  14 -16.578  15.638  -6.092
  114   HE22  GLN  14          HE21      GLN  14 -17.595  16.992  -5.612
  115    H    GLN  15           H        GLN  15 -18.769  10.777  -8.262
  116    HA   GLN  15           HA       GLN  15 -21.479  10.162  -7.419
  117    HB2  GLN  15           HB2      GLN  15 -20.105   9.566 -10.077
  118    HB3  GLN  15           HB3      GLN  15 -21.838   9.543  -9.760
  119    HG2  GLN  15           HG2      GLN  15 -20.002  11.967  -9.717
  120    HG3  GLN  15           HG3      GLN  15 -21.213  11.608 -10.927
  121   HE21  GLN  15          HE22      GLN  15 -20.712  13.827  -8.773
  122   HE22  GLN  15          HE21      GLN  15 -22.301  14.045  -8.049
  123    H    GLU  16           H        GLU  16 -18.692   8.175  -8.548
  124    HA   GLU  16           HA       GLU  16 -19.502   5.867  -7.009
  125    HB2  GLU  16           HB2      GLU  16 -21.001   5.776  -9.051
  126    HB3  GLU  16           HB3      GLU  16 -19.566   5.775 -10.075
  127    HG2  GLU  16           HG2      GLU  16 -18.842   3.637  -9.064
  128    HG3  GLU  16           HG3      GLU  16 -20.262   3.643  -8.010
  129    H    HIS  17           H        HIS  17 -17.468   4.743  -6.584
  130    HA   HIS  17           HA       HIS  17 -15.308   5.067  -8.515
  131    HB2  HIS  17           HB2      HIS  17 -13.792   6.310  -7.273
  132    HB3  HIS  17           HB3      HIS  17 -15.283   7.167  -6.964
  133    HD1  HIS  17           HD1      HIS  17 -16.451   6.128  -4.420
  134    HD2  HIS  17           HD2      HIS  17 -12.320   6.006  -5.231
  135    HE1  HIS  17           HE1      HIS  17 -15.288   5.888  -2.167
  136    H    VAL  18           H        VAL  18 -13.355   3.837  -7.929
  137    HA   VAL  18           HA       VAL  18 -13.948   1.272  -6.694
  138    HB   VAL  18           HB       VAL  18 -11.352   2.523  -7.709
  139   HG11  VAL  18          HG11      VAL  18 -10.876   0.737  -6.075
  140   HG12  VAL  18          HG12      VAL  18 -11.975  -0.363  -6.935
  141   HG13  VAL  18          HG13      VAL  18 -10.475   0.200  -7.708
  142   HG21  VAL  18          HG21      VAL  18 -11.648   1.036  -9.659
  143   HG22  VAL  18          HG22      VAL  18 -13.208   0.481  -9.014
  144   HG23  VAL  18          HG23      VAL  18 -12.993   2.168  -9.535
  145    H    GLN  19           H        GLN  19 -14.296   1.342  -4.560
  146    HA   GLN  19           HA       GLN  19 -13.640   3.193  -2.683
  147    HB2  GLN  19           HB2      GLN  19 -13.885   1.472  -0.973
  148    HB3  GLN  19           HB3      GLN  19 -15.157   1.424  -2.175
  149    HG2  GLN  19           HG2      GLN  19 -12.780  -0.479  -2.069
  150    HG3  GLN  19           HG3      GLN  19 -14.388  -0.824  -1.451
  151   HE21  GLN  19          HE22      GLN  19 -12.419  -1.289  -4.165
  152   HE22  GLN  19          HE21      GLN  19 -13.678  -1.430  -5.390
  153    H    GLY  20           H        GLY  20 -11.964   3.849  -1.496
  154    HA2  GLY  20           HA2      GLY  20  -9.965   3.653  -0.312
  155    HA3  GLY  20           HA3      GLY  20  -9.536   2.202  -1.225
  156    H    ALA  21           H        ALA  21 -10.344   3.928  -3.814
  157    HA   ALA  21           HA       ALA  21  -7.667   4.865  -4.336
  158    HB1  ALA  21           HB1      ALA  21  -8.596   5.719  -6.435
  159    HB2  ALA  21           HB2      ALA  21  -9.178   4.065  -6.145
  160    HB3  ALA  21           HB3      ALA  21 -10.247   5.454  -5.854
  161    H    ILE  22           H        ILE  22  -6.817   6.853  -4.004
  162    HA   ILE  22           HA       ILE  22  -8.337   8.949  -2.604
  163    HB   ILE  22           HB       ILE  22  -6.031   8.557  -1.973
  164   HG12  ILE  22          HG12      ILE  22  -6.230  11.219  -3.441
  165   HG13  ILE  22          HG13      ILE  22  -6.918  10.866  -1.848
  166   HG21  ILE  22          HG21      ILE  22  -5.124   7.654  -4.087
  167   HG22  ILE  22          HG22      ILE  22  -5.215   9.276  -4.811
  168   HG23  ILE  22          HG23      ILE  22  -4.111   8.921  -3.465
  169   HD11  ILE  22          HD11      ILE  22  -3.971  10.923  -2.610
  170   HD12  ILE  22          HD12      ILE  22  -4.837  12.056  -1.562
  171   HD13  ILE  22          HD13      ILE  22  -4.580  10.379  -1.029
  172    H    ASN  23           H        ASN  23  -8.634  11.131  -3.674
  173    HA   ASN  23           HA       ASN  23  -8.843  10.859  -6.635
  174    HB2  ASN  23           HB2      ASN  23 -11.009  11.079  -5.745
  175    HB3  ASN  23           HB3      ASN  23 -10.558  12.462  -4.742
  176   HD21  ASN  23          HD21      ASN  23  -9.976  11.708  -8.313
  177   HD22  ASN  23          HD22      ASN  23 -10.749  13.175  -8.857
  178    H    ILE  24           H        ILE  24  -7.450  12.006  -7.730
  179    HA   ILE  24           HA       ILE  24  -6.649  14.678  -6.759
  180    HB   ILE  24           HB       ILE  24  -4.579  12.763  -7.871
  181   HG12  ILE  24          HG12      ILE  24  -4.956  13.564  -4.946
  182   HG13  ILE  24          HG13      ILE  24  -5.237  11.957  -5.614
  183   HG21  ILE  24          HG21      ILE  24  -3.045  14.584  -7.195
  184   HG22  ILE  24          HG22      ILE  24  -4.306  15.198  -8.268
  185   HG23  ILE  24          HG23      ILE  24  -4.415  15.504  -6.528
  186   HD11  ILE  24          HD11      ILE  24  -2.586  13.363  -5.281
  187   HD12  ILE  24          HD12      ILE  24  -3.127  11.787  -4.669
  188   HD13  ILE  24          HD13      ILE  24  -2.787  11.986  -6.393
  189    HA   PRO  25           HA       PRO  25  -8.605  14.512 -10.944
  190    HB2  PRO  25           HB2      PRO  25  -8.713  17.443 -10.248
  191    HB3  PRO  25           HB3      PRO  25  -9.944  16.420 -11.041
  192    HG2  PRO  25           HG2      PRO  25 -10.134  17.117  -8.391
  193    HG3  PRO  25           HG3      PRO  25 -10.606  15.481  -8.944
  194    HD2  PRO  25           HD2      PRO  25  -8.076  16.350  -7.579
  195    HD3  PRO  25           HD3      PRO  25  -9.010  14.860  -7.373
  196    H    LEU  26           H        LEU  26  -7.732  15.234 -12.963
  197    HA   LEU  26           HA       LEU  26  -5.062  15.426 -13.300
  198    HB2  LEU  26           HB2      LEU  26  -6.553  15.044 -15.115
  199    HB3  LEU  26           HB3      LEU  26  -7.290  16.646 -14.951
  200    HG   LEU  26           HG       LEU  26  -5.124  17.684 -15.693
  201   HD11  LEU  26          HD11      LEU  26  -3.558  15.882 -15.034
  202   HD12  LEU  26          HD12      LEU  26  -4.332  14.783 -16.194
  203   HD13  LEU  26          HD13      LEU  26  -3.428  16.213 -16.760
  204   HD21  LEU  26          HD21      LEU  26  -5.404  17.075 -18.049
  205   HD22  LEU  26          HD22      LEU  26  -6.337  15.630 -17.586
  206   HD23  LEU  26          HD23      LEU  26  -6.971  17.253 -17.258
  207    H    LYS  27           H        LYS  27  -7.113  18.371 -12.865
  208    HA   LYS  27           HA       LYS  27  -4.970  20.248 -13.203
  209    HB2  LYS  27           HB2      LYS  27  -7.554  20.475 -11.581
  210    HB3  LYS  27           HB3      LYS  27  -6.475  21.817 -11.976
  211    HG2  LYS  27           HG2      LYS  27  -6.845  21.421 -14.405
  212    HG3  LYS  27           HG3      LYS  27  -7.977  20.112 -14.016
  213    HD2  LYS  27           HD2      LYS  27  -9.425  21.718 -12.798
  214    HD3  LYS  27           HD3      LYS  27  -8.295  23.033 -13.195
  215    HE2  LYS  27           HE2      LYS  27  -8.664  22.607 -15.620
  216    HE3  LYS  27           HE3      LYS  27  -9.795  21.308 -15.221
  217    HZ1  LYS  27           HZ1      LYS  27 -10.173  24.165 -14.531
  218    HZ2  LYS  27           HZ2      LYS  27 -10.949  23.365 -15.717
  219    HZ3  LYS  27           HZ3      LYS  27 -11.220  22.964 -14.162
  220    H    GLU  28           H        GLU  28  -6.178  18.476 -10.384
  221    HA   GLU  28           HA       GLU  28  -4.714  20.012  -8.407
  222    HB2  GLU  28           HB2      GLU  28  -6.225  17.371  -8.249
  223    HB3  GLU  28           HB3      GLU  28  -5.642  18.278  -6.872
  224    HG2  GLU  28           HG2      GLU  28  -7.681  19.438  -8.848
  225    HG3  GLU  28           HG3      GLU  28  -8.138  18.503  -7.441
  226    H    VAL  29           H        VAL  29  -4.065  17.127 -10.383
  227    HA   VAL  29           HA       VAL  29  -2.144  15.803  -8.858
  228    HB   VAL  29           HB       VAL  29  -2.193  16.312 -11.853
  229   HG11  VAL  29          HG11      VAL  29  -0.748  14.323 -12.097
  230   HG12  VAL  29          HG12      VAL  29   0.094  15.609 -11.234
  231   HG13  VAL  29          HG13      VAL  29  -0.579  14.229 -10.335
  232   HG21  VAL  29          HG21      VAL  29  -4.147  15.035 -11.001
  233   HG22  VAL  29          HG22      VAL  29  -3.108  14.017 -11.987
  234   HG23  VAL  29          HG23      VAL  29  -3.064  13.882 -10.215
  235    H    LYS  30           H        LYS  30  -1.677  18.748 -10.825
  236    HA   LYS  30           HA       LYS  30   1.122  18.928 -10.491
  237    HB2  LYS  30           HB2      LYS  30  -0.946  21.130 -10.927
  238    HB3  LYS  30           HB3      LYS  30   0.794  21.314 -11.169
  239    HG2  LYS  30           HG2      LYS  30   0.763  19.565 -12.919
  240    HG3  LYS  30           HG3      LYS  30  -0.989  19.394 -12.740
  241    HD2  LYS  30           HD2      LYS  30   0.443  21.947 -13.586
  242    HD3  LYS  30           HD3      LYS  30  -0.326  20.789 -14.682
  243    HE2  LYS  30           HE2      LYS  30  -2.518  21.179 -13.570
  244    HE3  LYS  30           HE3      LYS  30  -1.764  22.358 -12.492
  245    HZ1  LYS  30           HZ1      LYS  30  -1.231  23.706 -14.440
  246    HZ2  LYS  30           HZ2      LYS  30  -1.938  22.622 -15.439
  247    HZ3  LYS  30           HZ3      LYS  30  -2.835  23.445 -14.356
  248    H    GLU  31           H        GLU  31  -1.296  19.456  -8.087
  249    HA   GLU  31           HA       GLU  31   0.564  21.157  -6.485
  250    HB2  GLU  31           HB2      GLU  31  -1.688  22.073  -7.306
  251    HB3  GLU  31           HB3      GLU  31  -2.453  20.911  -6.207
  252    HG2  GLU  31           HG2      GLU  31  -1.348  21.975  -4.282
  253    HG3  GLU  31           HG3      GLU  31  -0.422  23.028  -5.355
  254    H    ARG  32           H        ARG  32  -1.143  18.082  -6.631
  255    HA   ARG  32           HA       ARG  32  -0.606  17.682  -3.710
  256    HB2  ARG  32           HB2      ARG  32  -2.940  18.270  -4.325
  257    HB3  ARG  32           HB3      ARG  32  -3.055  16.782  -5.266
  258    HG2  ARG  32           HG2      ARG  32  -2.854  15.421  -3.275
  259    HG3  ARG  32           HG3      ARG  32  -2.289  16.809  -2.331
  260    HD2  ARG  32           HD2      ARG  32  -4.514  16.317  -1.657
  261    HD3  ARG  32           HD3      ARG  32  -4.509  17.856  -2.493
  262    HE   ARG  32           HE       ARG  32  -5.534  15.237  -3.527
  263   HH11  ARG  32          HH11      ARG  32  -5.535  18.767  -3.736
  264   HH12  ARG  32          HH12      ARG  32  -6.951  18.896  -4.709
  265   HH21  ARG  32          HH21      ARG  32  -7.535  15.341  -4.676
  266   HH22  ARG  32          HH22      ARG  32  -8.174  16.882  -5.139
  267    H    ILE  33           H        ILE  33   0.093  16.189  -6.815
  268    HA   ILE  33           HA       ILE  33  -0.034  13.532  -5.830
  269    HB   ILE  33           HB       ILE  33   0.149  13.990  -8.189
  270   HG12  ILE  33          HG12      ILE  33   1.831  12.237  -8.789
  271   HG13  ILE  33          HG13      ILE  33   2.459  12.275  -7.160
  272   HG21  ILE  33          HG21      ILE  33   1.948  15.859  -7.995
  273   HG22  ILE  33          HG22      ILE  33   3.124  14.540  -7.980
  274   HG23  ILE  33          HG23      ILE  33   2.029  14.761  -9.366
  275   HD11  ILE  33          HD11      ILE  33   0.318  11.413  -6.291
  276   HD12  ILE  33          HD12      ILE  33  -0.404  11.542  -7.916
  277   HD13  ILE  33          HD13      ILE  33   0.904  10.383  -7.603
  278    H    ALA  34           H        ALA  34   2.586  15.956  -5.528
  279    HA   ALA  34           HA       ALA  34   4.487  14.225  -4.330
  280    HB1  ALA  34           HB1      ALA  34   4.060  17.216  -3.899
  281    HB2  ALA  34           HB2      ALA  34   5.523  16.298  -3.491
  282    HB3  ALA  34           HB3      ALA  34   5.041  16.473  -5.189
  283    H    THR  35           H        THR  35   1.720  15.994  -2.900
  284    HA   THR  35           HA       THR  35   2.403  15.488  -0.174
  285    HB   THR  35           HB       THR  35  -0.395  15.860  -1.297
  286    HG1  THR  35           HG1      THR  35   1.596  17.859  -0.999
  287   HG21  THR  35          HG21      THR  35   0.944  16.924   1.226
  288   HG22  THR  35          HG22      THR  35  -0.731  17.243   0.715
  289   HG23  THR  35          HG23      THR  35  -0.234  15.598   1.140
  290    H    ALA  36           H        ALA  36   0.312  13.806  -2.583
  291    HA   ALA  36           HA       ALA  36  -0.650  11.834  -0.737
  292    HB1  ALA  36           HB1      ALA  36  -0.559  11.871  -3.788
  293    HB2  ALA  36           HB2      ALA  36  -1.514  10.752  -2.794
  294    HB3  ALA  36           HB3      ALA  36  -1.869  12.494  -2.755
  295    H    VAL  37           H        VAL  37   2.040  11.844  -3.117
  296    HA   VAL  37           HA       VAL  37   3.038   9.281  -2.006
  297    HB   VAL  37           HB       VAL  37   2.887   9.826  -4.992
  298   HG11  VAL  37          HG11      VAL  37   3.376   7.429  -5.142
  299   HG12  VAL  37          HG12      VAL  37   4.597   8.200  -4.128
  300   HG13  VAL  37          HG13      VAL  37   3.296   7.261  -3.376
  301   HG21  VAL  37          HG21      VAL  37   1.073   8.135  -5.106
  302   HG22  VAL  37          HG22      VAL  37   0.928   8.182  -3.337
  303   HG23  VAL  37          HG23      VAL  37   0.557   9.622  -4.318
  304    HA   PRO  38           HA       PRO  38   6.352  12.469  -2.313
  305    HB2  PRO  38           HB2      PRO  38   7.701  11.873  -0.005
  306    HB3  PRO  38           HB3      PRO  38   6.225  12.884  -0.046
  307    HG2  PRO  38           HG2      PRO  38   6.443   9.929   0.598
  308    HG3  PRO  38           HG3      PRO  38   5.545  11.196   1.494
  309    HD2  PRO  38           HD2      PRO  38   4.334   9.536  -0.308
  310    HD3  PRO  38           HD3      PRO  38   3.820  11.238  -0.111
  311    H    ASP  39           H        ASP  39   6.435   8.972  -1.833
  312    HA   ASP  39           HA       ASP  39   9.198   8.520  -2.618
  313    HB2  ASP  39           HB2      ASP  39   7.918   6.888  -1.287
  314    HB3  ASP  39           HB3      ASP  39   6.729   6.730  -2.585
  315    H    LYS  40           H        LYS  40   9.871   7.672  -4.753
  316    HA   LYS  40           HA       LYS  40   7.966   8.285  -6.937
  317    HB2  LYS  40           HB2      LYS  40  10.851   9.206  -6.933
  318    HB3  LYS  40           HB3      LYS  40   9.670   9.390  -8.244
  319    HG2  LYS  40           HG2      LYS  40   8.221  10.752  -6.705
  320    HG3  LYS  40           HG3      LYS  40   9.475  10.637  -5.466
  321    HD2  LYS  40           HD2      LYS  40   9.700  12.754  -6.473
  322    HD3  LYS  40           HD3      LYS  40  11.076  11.782  -7.019
  323    HE2  LYS  40           HE2      LYS  40   9.969  11.396  -9.193
  324    HE3  LYS  40           HE3      LYS  40   8.509  12.207  -8.617
  325    HZ1  LYS  40           HZ1      LYS  40   9.769  13.734  -9.936
  326    HZ2  LYS  40           HZ2      LYS  40   9.856  14.253  -8.396
  327    HZ3  LYS  40           HZ3      LYS  40  11.140  13.494  -9.065
  328    H    ASN  41           H        ASN  41   8.552   5.675  -5.858
  329    HA   ASN  41           HA       ASN  41   9.591   4.420  -8.352
  330    HB2  ASN  41           HB2      ASN  41  11.509   4.508  -6.814
  331    HB3  ASN  41           HB3      ASN  41  10.539   3.779  -5.530
  332   HD21  ASN  41          HD22      ASN  41  10.731   1.542  -5.337
  333   HD22  ASN  41          HD21      ASN  41  11.260   0.483  -6.616
  334    H    ASP  42           H        ASP  42   7.738   4.078  -5.292
  335    HA   ASP  42           HA       ASP  42   6.927   1.387  -5.672
  336    HB2  ASP  42           HB2      ASP  42   6.778   2.605  -3.536
  337    HB3  ASP  42           HB3      ASP  42   5.529   3.662  -4.218
  338    H    THR  43           H        THR  43   4.866   0.499  -6.363
  339    HA   THR  43           HA       THR  43   4.082   1.465  -8.887
  340    HB   THR  43           HB       THR  43   2.544  -0.447  -7.083
  341    HG1  THR  43           HG1      THR  43   3.940  -2.011  -7.704
  342   HG21  THR  43          HG21      THR  43   1.388   0.086  -9.194
  343   HG22  THR  43          HG22      THR  43   2.854  -0.307 -10.120
  344   HG23  THR  43          HG23      THR  43   1.985  -1.577  -9.226
  345    H    VAL  44           H        VAL  44   2.525   2.883  -9.553
  346    HA   VAL  44           HA       VAL  44   0.290   3.588  -7.723
  347    HB   VAL  44           HB       VAL  44   2.001   5.460  -9.411
  348   HG11  VAL  44          HG11      VAL  44  -0.511   6.080  -7.792
  349   HG12  VAL  44          HG12      VAL  44   0.558   7.291  -8.534
  350   HG13  VAL  44          HG13      VAL  44  -0.345   6.180  -9.559
  351   HG21  VAL  44          HG21      VAL  44   2.483   6.643  -7.304
  352   HG22  VAL  44          HG22      VAL  44   1.577   5.417  -6.393
  353   HG23  VAL  44          HG23      VAL  44   3.064   4.983  -7.248
  354    H    LYS  45           H        LYS  45  -1.670   3.607  -8.774
  355    HA   LYS  45           HA       LYS  45  -1.680   3.152 -11.724
  356    HB2  LYS  45           HB2      LYS  45  -3.386   1.961  -9.498
  357    HB3  LYS  45           HB3      LYS  45  -3.864   1.931 -11.199
  358    HG2  LYS  45           HG2      LYS  45  -1.874   0.681 -11.825
  359    HG3  LYS  45           HG3      LYS  45  -1.225   0.791 -10.178
  360    HD2  LYS  45           HD2      LYS  45  -3.053  -0.559  -9.299
  361    HD3  LYS  45           HD3      LYS  45  -3.826  -0.628 -10.901
  362    HE2  LYS  45           HE2      LYS  45  -1.935  -1.840 -11.839
  363    HE3  LYS  45           HE3      LYS  45  -0.991  -1.615 -10.359
  364    HZ1  LYS  45           HZ1      LYS  45  -2.490  -3.025  -9.180
  365    HZ2  LYS  45           HZ2      LYS  45  -3.479  -3.211 -10.494
  366    HZ3  LYS  45           HZ3      LYS  45  -1.966  -3.827 -10.505
  367    H    VAL  46           H        VAL  46  -3.032   4.454 -12.883
  368    HA   VAL  46           HA       VAL  46  -4.772   6.340 -11.372
  369    HB   VAL  46           HB       VAL  46  -4.380   7.961 -13.244
  370   HG11  VAL  46          HG11      VAL  46  -3.352   8.318 -11.093
  371   HG12  VAL  46          HG12      VAL  46  -1.997   7.240 -11.491
  372   HG13  VAL  46          HG13      VAL  46  -2.211   8.778 -12.355
  373   HG21  VAL  46          HG21      VAL  46  -1.955   6.232 -13.907
  374   HG22  VAL  46          HG22      VAL  46  -3.382   6.453 -14.940
  375   HG23  VAL  46          HG23      VAL  46  -2.338   7.827 -14.580
  376    H    TYR  47           H        TYR  47  -6.850   6.637 -12.164
  377    HA   TYR  47           HA       TYR  47  -7.542   5.576 -14.790
  378    HB2  TYR  47           HB2      TYR  47  -9.131   4.056 -14.188
  379    HB3  TYR  47           HB3      TYR  47  -7.865   3.675 -13.036
  380    HD1  TYR  47           HD1      TYR  47 -11.250   5.000 -13.562
  381    HD2  TYR  47           HD2      TYR  47  -8.212   4.247 -10.590
  382    HE1  TYR  47           HE1      TYR  47 -12.907   5.384 -11.795
  383    HE2  TYR  47           HE2      TYR  47  -9.907   4.552  -8.794
  384    HH   TYR  47           HH       TYR  47 -13.281   5.531  -9.556
  385    H    CYS  48           H        CYS  48  -9.809   6.332 -15.373
  386    HA   CYS  48           HA       CYS  48 -11.061   8.191 -13.601
  387    HB2  CYS  48           HB2      CYS  48 -10.792  10.224 -14.983
  388    HB3  CYS  48           HB3      CYS  48  -9.239   9.638 -14.426
  389    HG   CYS  48           HG       CYS  48  -8.573   8.321 -16.526
  390    H    ASN  49           H        ASN  49 -12.320   9.657 -15.919
  391    HA   ASN  49           HA       ASN  49 -14.137   7.517 -16.913
  392    HB2  ASN  49           HB2      ASN  49 -15.289   9.428 -15.836
  393    HB3  ASN  49           HB3      ASN  49 -14.416  10.561 -16.874
  394   HD21  ASN  49          HD22      ASN  49 -16.694   7.740 -16.996
  395   HD22  ASN  49          HD21      ASN  49 -17.452   8.229 -18.485
  396    H    ALA  50           H        ALA  50 -13.917   6.945 -18.994
  397    HA   ALA  50           HA       ALA  50 -13.114   6.671 -21.039
  398    HB1  ALA  50           HB1      ALA  50 -14.632   8.582 -21.436
  399    HB2  ALA  50           HB2      ALA  50 -13.261   9.700 -21.246
  400    HB3  ALA  50           HB3      ALA  50 -13.286   8.537 -22.586
  401    H    GLY  51           H        GLY  51 -11.028   7.289 -18.821
  402    HA2  GLY  51           HA2      GLY  51  -8.778   6.985 -18.717
  403    HA3  GLY  51           HA3      GLY  51  -8.797   6.668 -20.450
  404    H    ARG  52           H        ARG  52 -10.001   9.671 -20.582
  405    HA   ARG  52           HA       ARG  52  -7.514  10.723 -21.517
  406    HB2  ARG  52           HB2      ARG  52 -10.009  12.344 -20.858
  407    HB3  ARG  52           HB3      ARG  52  -8.688  12.797 -21.927
  408    HG2  ARG  52           HG2      ARG  52 -10.828  10.689 -22.409
  409    HG3  ARG  52           HG3      ARG  52 -10.541  12.190 -23.285
  410    HD2  ARG  52           HD2      ARG  52  -8.242  11.195 -23.917
  411    HD3  ARG  52           HD3      ARG  52  -8.867   9.646 -23.344
  412    HE   ARG  52           HE       ARG  52  -9.594  11.159 -25.747
  413   HH11  ARG  52          HH11      ARG  52 -10.632   8.450 -23.644
  414   HH12  ARG  52          HH12      ARG  52 -11.485   7.655 -24.916
  415   HH21  ARG  52          HH21      ARG  52 -10.792  10.109 -27.373
  416   HH22  ARG  52          HH22      ARG  52 -11.617   8.633 -27.051
  417    H    GLN  53           H        GLN  53  -9.162  11.423 -18.431
  418    HA   GLN  53           HA       GLN  53  -7.190  13.393 -17.721
  419    HB2  GLN  53           HB2      GLN  53  -8.836  11.765 -15.752
  420    HB3  GLN  53           HB3      GLN  53  -7.953  13.239 -15.459
  421    HG2  GLN  53           HG2      GLN  53 -10.079  14.075 -15.579
  422    HG3  GLN  53           HG3      GLN  53  -9.564  14.286 -17.260
  423   HE21  GLN  53          HE22      GLN  53 -10.748  13.018 -18.910
  424   HE22  GLN  53          HE21      GLN  53 -11.908  11.770 -18.473
  425    H    SER  54           H        SER  54  -7.216   9.828 -17.552
  426    HA   SER  54           HA       SER  54  -4.909   9.632 -15.812
  427    HB2  SER  54           HB2      SER  54  -6.075   7.566 -17.715
  428    HB3  SER  54           HB3      SER  54  -4.983   7.282 -16.351
  429    HG   SER  54           HG       SER  54  -6.655   8.210 -15.004
  430    H    GLY  55           H        GLY  55  -5.371   9.405 -19.397
  431    HA2  GLY  55           HA2      GLY  55  -2.620   8.914 -20.005
  432    HA3  GLY  55           HA3      GLY  55  -3.815   9.683 -21.076
  433    H    GLN  56           H        GLN  56  -4.541  11.940 -19.807
  434    HA   GLN  56           HA       GLN  56  -2.457  13.787 -20.198
  435    HB2  GLN  56           HB2      GLN  56  -5.190  13.810 -18.888
  436    HB3  GLN  56           HB3      GLN  56  -4.155  15.244 -18.812
  437    HG2  GLN  56           HG2      GLN  56  -4.729  13.903 -21.472
  438    HG3  GLN  56           HG3      GLN  56  -5.869  15.028 -20.741
  439   HE21  GLN  56          HE22      GLN  56  -2.532  14.791 -22.145
  440   HE22  GLN  56          HE21      GLN  56  -2.379  16.521 -22.354
  441    H    ALA  57           H        ALA  57  -3.606  12.290 -17.106
  442    HA   ALA  57           HA       ALA  57  -1.799  13.781 -15.482
  443    HB1  ALA  57           HB1      ALA  57  -3.095  11.072 -14.973
  444    HB2  ALA  57           HB2      ALA  57  -2.264  12.071 -13.764
  445    HB3  ALA  57           HB3      ALA  57  -3.750  12.670 -14.524
  446    H    LYS  58           H        LYS  58  -1.461  10.511 -17.082
  447    HA   LYS  58           HA       LYS  58   1.126  10.087 -15.966
  448    HB2  LYS  58           HB2      LYS  58  -0.232   8.277 -17.015
  449    HB3  LYS  58           HB3      LYS  58   0.119   8.974 -18.615
  450    HG2  LYS  58           HG2      LYS  58   2.534   8.720 -18.204
  451    HG3  LYS  58           HG3      LYS  58   2.225   8.104 -16.571
  452    HD2  LYS  58           HD2      LYS  58   1.105   6.120 -17.609
  453    HD3  LYS  58           HD3      LYS  58   1.532   6.745 -19.211
  454    HE2  LYS  58           HE2      LYS  58   3.460   5.981 -16.963
  455    HE3  LYS  58           HE3      LYS  58   3.162   5.053 -18.431
  456    HZ1  LYS  58           HZ1      LYS  58   4.458   7.732 -18.310
  457    HZ2  LYS  58           HZ2      LYS  58   5.180   6.308 -18.638
  458    HZ3  LYS  58           HZ3      LYS  58   4.110   6.922 -19.699
  459    H    GLU  59           H        GLU  59   0.101  11.884 -18.908
  460    HA   GLU  59           HA       GLU  59   2.673  12.254 -19.989
  461    HB2  GLU  59           HB2      GLU  59   0.169  13.968 -20.092
  462    HB3  GLU  59           HB3      GLU  59   1.660  14.444 -20.902
  463    HG2  GLU  59           HG2      GLU  59   1.680  12.419 -22.239
  464    HG3  GLU  59           HG3      GLU  59   0.276  11.779 -21.403
  465    H    ILE  60           H        ILE  60   0.966  14.498 -17.589
  466    HA   ILE  60           HA       ILE  60   3.345  16.075 -17.358
  467    HB   ILE  60           HB       ILE  60   2.249  17.146 -15.510
  468   HG12  ILE  60          HG12      ILE  60   0.167  14.957 -15.662
  469   HG13  ILE  60          HG13      ILE  60   1.228  15.321 -14.282
  470   HG21  ILE  60          HG21      ILE  60   0.202  16.634 -17.705
  471   HG22  ILE  60          HG22      ILE  60   0.422  18.111 -16.743
  472   HG23  ILE  60          HG23      ILE  60   1.655  17.638 -17.910
  473   HD11  ILE  60          HD11      ILE  60   0.055  17.490 -14.023
  474   HD12  ILE  60          HD12      ILE  60  -1.062  17.001 -15.339
  475   HD13  ILE  60          HD13      ILE  60  -0.998  16.073 -13.838
  476    H    LEU  61           H        LEU  61   2.102  13.254 -15.522
  477    HA   LEU  61           HA       LEU  61   3.951  13.495 -13.392
  478    HB2  LEU  61           HB2      LEU  61   2.377  11.155 -14.512
  479    HB3  LEU  61           HB3      LEU  61   3.405  10.967 -13.111
  480    HG   LEU  61           HG       LEU  61   1.167  13.036 -13.236
  481   HD11  LEU  61          HD11      LEU  61  -0.173  11.529 -11.882
  482   HD12  LEU  61          HD12      LEU  61   0.269  10.711 -13.386
  483   HD13  LEU  61          HD13      LEU  61   1.120  10.314 -11.875
  484   HD21  LEU  61          HD21      LEU  61   2.790  11.972 -10.903
  485   HD22  LEU  61          HD22      LEU  61   2.866  13.616 -11.581
  486   HD23  LEU  61          HD23      LEU  61   1.391  13.059 -10.805
  487    H    SER  62           H        SER  62   4.244  11.753 -16.512
  488    HA   SER  62           HA       SER  62   6.708  10.474 -15.862
  489    HB2  SER  62           HB2      SER  62   5.703  11.351 -18.599
  490    HB3  SER  62           HB3      SER  62   6.939  10.125 -18.263
  491    HG   SER  62           HG       SER  62   4.171  10.085 -17.637
  492    H    GLU  63           H        GLU  63   5.982  13.737 -17.229
  493    HA   GLU  63           HA       GLU  63   8.761  14.443 -17.609
  494    HB2  GLU  63           HB2      GLU  63   6.222  16.110 -17.346
  495    HB3  GLU  63           HB3      GLU  63   7.805  16.794 -17.697
  496    HG2  GLU  63           HG2      GLU  63   6.394  14.722 -19.436
  497    HG3  GLU  63           HG3      GLU  63   6.380  16.456 -19.716
  498    H    MET  64           H        MET  64   6.470  14.722 -14.890
  499    HA   MET  64           HA       MET  64   8.275  16.186 -13.156
  500    HB2  MET  64           HB2      MET  64   5.762  14.553 -12.619
  501    HB3  MET  64           HB3      MET  64   6.611  15.484 -11.389
  502    HG2  MET  64           HG2      MET  64   6.128  17.561 -12.433
  503    HG3  MET  64           HG3      MET  64   5.614  16.796 -13.926
  504    HE1  MET  64           HE1      MET  64   3.108  16.946 -10.028
  505    HE2  MET  64           HE2      MET  64   4.542  15.901 -10.130
  506    HE3  MET  64           HE3      MET  64   4.716  17.670 -10.243
  507    H    GLY  65           H        GLY  65   8.607  13.054 -14.351
  508    HA2  GLY  65           HA2      GLY  65  10.205  11.503 -13.772
  509    HA3  GLY  65           HA3      GLY  65  10.522  12.355 -12.256
  510    H    TYR  66           H        TYR  66   7.185  11.865 -12.552
  511    HA   TYR  66           HA       TYR  66   7.123   9.556 -10.728
  512    HB2  TYR  66           HB2      TYR  66   5.093  11.565 -11.723
  513    HB3  TYR  66           HB3      TYR  66   4.577  10.043 -11.015
  514    HD1  TYR  66           HD1      TYR  66   6.387  13.226 -10.284
  515    HD2  TYR  66           HD2      TYR  66   4.652   9.613  -8.696
  516    HE1  TYR  66           HE1      TYR  66   6.618  14.126  -7.979
  517    HE2  TYR  66           HE2      TYR  66   4.915  10.475  -6.402
  518    HH   TYR  66           HH       TYR  66   5.590  12.217  -5.101
  519    H    THR  67           H        THR  67   8.378   8.706 -12.829
  520    HA   THR  67           HA       THR  67   6.856   7.948 -15.124
  521    HB   THR  67           HB       THR  67   9.283   8.335 -15.048
  522    HG1  THR  67           HG1      THR  67   8.618   7.082 -16.721
  523   HG21  THR  67          HG21      THR  67   9.526   5.726 -13.487
  524   HG22  THR  67          HG22      THR  67  10.858   6.688 -14.154
  525   HG23  THR  67          HG23      THR  67   9.868   7.350 -12.852
  526    H    HIS  68           H        HIS  68   7.173   6.532 -11.988
  527    HA   HIS  68           HA       HIS  68   6.598   3.784 -12.613
  528    HB2  HIS  68           HB2      HIS  68   6.689   3.578 -10.126
  529    HB3  HIS  68           HB3      HIS  68   8.085   4.426 -10.782
  530    HD1  HIS  68           HD1      HIS  68   5.251   4.931  -8.361
  531    HD2  HIS  68           HD2      HIS  68   8.081   7.222 -10.468
  532    HE1  HIS  68           HE1      HIS  68   5.097   7.307  -7.437
  533    H    VAL  69           H        VAL  69   4.569   5.451 -13.650
  534    HA   VAL  69           HA       VAL  69   2.173   4.874 -11.972
  535    HB   VAL  69           HB       VAL  69   2.801   7.302 -13.710
  536   HG11  VAL  69          HG11      VAL  69   0.588   8.174 -12.930
  537   HG12  VAL  69          HG12      VAL  69   0.439   6.762 -13.971
  538   HG13  VAL  69          HG13      VAL  69   0.243   6.585 -12.211
  539   HG21  VAL  69          HG21      VAL  69   2.679   8.621 -11.696
  540   HG22  VAL  69          HG22      VAL  69   2.195   7.227 -10.722
  541   HG23  VAL  69          HG23      VAL  69   3.835   7.331 -11.390
  542    H    GLU  70           H        GLU  70   0.489   3.882 -13.125
  543    HA   GLU  70           HA       GLU  70   0.803   3.517 -16.061
  544    HB2  GLU  70           HB2      GLU  70   1.790   1.578 -14.867
  545    HB3  GLU  70           HB3      GLU  70   0.274   1.335 -13.989
  546    HG2  GLU  70           HG2      GLU  70  -0.900   0.840 -16.092
  547    HG3  GLU  70           HG3      GLU  70   0.547   1.231 -17.026
  548    H    ASN  71           H        ASN  71  -1.196   3.443 -17.156
  549    HA   ASN  71           HA       ASN  71  -3.517   4.325 -15.600
  550    HB2  ASN  71           HB2      ASN  71  -3.247   5.431 -17.711
  551    HB3  ASN  71           HB3      ASN  71  -3.104   3.888 -18.571
  552   HD21  ASN  71          HD22      ASN  71  -5.527   4.976 -16.018
  553   HD22  ASN  71          HD21      ASN  71  -6.899   4.706 -17.063
  554    H    ALA  72           H        ALA  72  -4.724   2.845 -14.562
  555    HA   ALA  72           HA       ALA  72  -4.607   0.020 -15.154
  556    HB1  ALA  72           HB1      ALA  72  -6.514   1.646 -13.412
  557    HB2  ALA  72           HB2      ALA  72  -6.405  -0.127 -13.442
  558    HB3  ALA  72           HB3      ALA  72  -5.022   0.830 -12.888
  559    H    GLY  73           H        GLY  73  -6.755   2.664 -16.190
  560    HA2  GLY  73           HA2      GLY  73  -7.886   1.811 -18.432
  561    HA3  GLY  73           HA3      GLY  73  -8.780   0.816 -17.266
  562    H    GLY  74           H        GLY  74 -10.777   1.794 -17.276
  563    HA2  GLY  74           HA2      GLY  74 -10.924   4.460 -16.045
  564    HA3  GLY  74           HA3      GLY  74 -11.859   4.185 -17.525
  565    H    LEU  75           H        LEU  75 -13.227   4.820 -15.316
  566    HA   LEU  75           HA       LEU  75 -13.753   3.151 -13.264
  567    HB2  LEU  75           HB2      LEU  75 -14.651   5.420 -13.577
  568    HB3  LEU  75           HB3      LEU  75 -15.787   4.854 -14.776
  569    HG   LEU  75           HG       LEU  75 -16.771   5.375 -12.586
  570   HD11  LEU  75          HD11      LEU  75 -18.311   3.624 -12.391
  571   HD12  LEU  75          HD12      LEU  75 -17.870   3.707 -14.101
  572   HD13  LEU  75          HD13      LEU  75 -17.211   2.421 -13.059
  573   HD21  LEU  75          HD21      LEU  75 -16.502   3.962 -10.637
  574   HD22  LEU  75          HD22      LEU  75 -15.290   2.964 -11.475
  575   HD23  LEU  75          HD23      LEU  75 -14.956   4.671 -11.103
  576    H    LYS  76           H        LYS  76 -15.629   2.958 -16.342
  577    HA   LYS  76           HA       LYS  76 -17.181   0.720 -15.399
  578    HB2  LYS  76           HB2      LYS  76 -17.924   2.418 -17.074
  579    HB3  LYS  76           HB3      LYS  76 -16.780   1.746 -18.247
  580    HG2  LYS  76           HG2      LYS  76 -17.960  -0.433 -18.158
  581    HG3  LYS  76           HG3      LYS  76 -19.083   0.206 -16.952
  582    HD2  LYS  76           HD2      LYS  76 -18.756   1.260 -19.799
  583    HD3  LYS  76           HD3      LYS  76 -20.002   0.122 -19.267
  584    HE2  LYS  76           HE2      LYS  76 -20.860   1.817 -17.652
  585    HE3  LYS  76           HE3      LYS  76 -19.651   2.971 -18.230
  586    HZ1  LYS  76           HZ1      LYS  76 -21.780   3.317 -19.301
  587    HZ2  LYS  76           HZ2      LYS  76 -20.689   2.860 -20.421
  588    HZ3  LYS  76           HZ3      LYS  76 -21.810   1.797 -19.884
  589    H    ASP  77           H        ASP  77 -14.205   1.006 -17.333
  590    HA   ASP  77           HA       ASP  77 -14.307  -1.674 -18.402
  591    HB2  ASP  77           HB2      ASP  77 -13.142   0.135 -19.560
  592    HB3  ASP  77           HB3      ASP  77 -12.050   0.355 -18.190
  593    H    ILE  78           H        ILE  78 -12.725  -0.155 -15.590
  594    HA   ILE  78           HA       ILE  78 -10.993  -2.333 -14.936
  595    HB   ILE  78           HB       ILE  78 -12.074   0.096 -13.474
  596   HG12  ILE  78          HG12      ILE  78  -9.233  -0.679 -14.308
  597   HG13  ILE  78          HG13      ILE  78 -10.330   0.203 -15.365
  598   HG21  ILE  78          HG21      ILE  78 -11.751  -1.531 -11.696
  599   HG22  ILE  78          HG22      ILE  78 -10.122  -1.945 -12.313
  600   HG23  ILE  78          HG23      ILE  78 -10.467  -0.347 -11.622
  601   HD11  ILE  78          HD11      ILE  78 -10.510   2.023 -13.696
  602   HD12  ILE  78          HD12      ILE  78  -9.301   1.199 -12.685
  603   HD13  ILE  78          HD13      ILE  78  -8.861   1.756 -14.301
  604    H    ALA  79           H        ALA  79 -11.357  -4.202 -13.872
  605    HA   ALA  79           HA       ALA  79 -14.090  -5.033 -13.460
  606    HB1  ALA  79           HB1      ALA  79 -13.068  -7.231 -13.042
  607    HB2  ALA  79           HB2      ALA  79 -12.355  -6.480 -14.480
  608    HB3  ALA  79           HB3      ALA  79 -11.458  -6.490 -12.940
  609    H    MET  80           H        MET  80 -11.949  -3.441 -11.341
  610    HA   MET  80           HA       MET  80 -12.330  -4.828  -8.905
  611    HB2  MET  80           HB2      MET  80 -11.897  -1.847  -9.387
  612    HB3  MET  80           HB3      MET  80 -11.778  -2.635  -7.824
  613    HG2  MET  80           HG2      MET  80 -10.029  -3.268 -10.229
  614    HG3  MET  80           HG3      MET  80  -9.571  -2.240  -8.881
  615    HE1  MET  80           HE1      MET  80  -9.002  -4.669  -5.932
  616    HE2  MET  80           HE2      MET  80  -8.835  -3.014  -6.556
  617    HE3  MET  80           HE3      MET  80 -10.450  -3.690  -6.235
  618    HA   PRO  81           HA       PRO  81 -16.554  -3.669  -7.729
  619    HB2  PRO  81           HB2      PRO  81 -15.421  -3.308  -4.963
  620    HB3  PRO  81           HB3      PRO  81 -16.838  -4.268  -5.479
  621    HG2  PRO  81           HG2      PRO  81 -14.487  -5.474  -4.827
  622    HG3  PRO  81           HG3      PRO  81 -15.454  -6.050  -6.225
  623    HD2  PRO  81           HD2      PRO  81 -13.027  -4.239  -6.245
  624    HD3  PRO  81           HD3      PRO  81 -13.411  -5.644  -7.288
  625    H    LYS  82           H        LYS  82 -17.711  -1.799  -6.671
  626    HA   LYS  82           HA       LYS  82 -16.101   0.638  -6.281
  627    HB2  LYS  82           HB2      LYS  82 -18.546   0.528  -8.122
  628    HB3  LYS  82           HB3      LYS  82 -17.728   1.979  -7.584
  629    HG2  LYS  82           HG2      LYS  82 -16.743   1.833  -9.596
  630    HG3  LYS  82           HG3      LYS  82 -15.590   0.846  -8.692
  631    HD2  LYS  82           HD2      LYS  82 -16.854  -1.201  -9.455
  632    HD3  LYS  82           HD3      LYS  82 -17.927  -0.155 -10.397
  633    HE2  LYS  82           HE2      LYS  82 -16.112   0.577 -11.814
  634    HE3  LYS  82           HE3      LYS  82 -14.904  -0.153 -10.742
  635    HZ1  LYS  82           HZ1      LYS  82 -16.893  -1.703 -12.291
  636    HZ2  LYS  82           HZ2      LYS  82 -15.300  -1.538 -12.669
  637    HZ3  LYS  82           HZ3      LYS  82 -15.715  -2.302 -11.292
  638    H    VAL  83           H        VAL  83 -17.434   2.357  -5.323
  639    HA   VAL  83           HA       VAL  83 -19.889   1.464  -3.917
  640    HB   VAL  83           HB       VAL  83 -19.268   2.968  -2.036
  641   HG11  VAL  83          HG11      VAL  83 -17.735   1.398  -0.932
  642   HG12  VAL  83          HG12      VAL  83 -18.990   0.543  -1.840
  643   HG13  VAL  83          HG13      VAL  83 -17.347   0.650  -2.495
  644   HG21  VAL  83          HG21      VAL  83 -17.585   4.397  -3.099
  645   HG22  VAL  83          HG22      VAL  83 -16.912   3.606  -1.669
  646   HG23  VAL  83          HG23      VAL  83 -16.482   3.021  -3.290
  647    H    LYS  84           H        LYS  84 -21.379   3.332  -3.584
  648    HA   LYS  84           HA       LYS  84 -21.088   5.390  -5.713
  649    HB2  LYS  84           HB2      LYS  84 -22.153   3.231  -6.516
  650    HB3  LYS  84           HB3      LYS  84 -23.451   3.491  -5.347
  651    HG2  LYS  84           HG2      LYS  84 -24.118   5.558  -6.510
  652    HG3  LYS  84           HG3      LYS  84 -22.712   5.416  -7.585
  653    HD2  LYS  84           HD2      LYS  84 -23.620   3.208  -8.398
  654    HD3  LYS  84           HD3      LYS  84 -25.042   3.461  -7.384
  655    HE2  LYS  84           HE2      LYS  84 -25.568   4.055  -9.661
  656    HE3  LYS  84           HE3      LYS  84 -25.599   5.518  -8.670
  657    HZ1  LYS  84           HZ1      LYS  84 -23.249   4.705 -10.297
  658    HZ2  LYS  84           HZ2      LYS  84 -24.430   5.707 -10.858
  659    HZ3  LYS  84           HZ3      LYS  84 -23.510   6.164  -9.590
  660    H    GLY  85           H        GLY  85 -22.516   7.203  -5.453
  661    HA2  GLY  85           HA2      GLY  85 -24.382   7.393  -3.262
  662    HA3  GLY  85           HA3      GLY  85 -22.867   8.241  -2.908
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1   5.149  -0.111  -3.144
    2    H2   ALA   1           H2       ALA   1   4.982   1.463  -2.738
    3    H3   ALA   1           H3       ALA   1   5.377   0.348  -1.577
    4    HA   ALA   1           HA       ALA   1   3.248  -0.731  -1.885
    5    HB1  ALA   1           HB1      ALA   1   3.513   1.029  -0.128
    6    HB2  ALA   1           HB2      ALA   1   2.974   2.256  -1.296
    7    HB3  ALA   1           HB3      ALA   1   1.871   0.963  -0.773
    8    H    GLU   2           H        GLU   2   0.878   0.897  -2.516
    9    HA   GLU   2           HA       GLU   2   1.090   1.720  -5.286
   10    HB2  GLU   2           HB2      GLU   2   0.744  -0.722  -5.521
   11    HB3  GLU   2           HB3      GLU   2  -0.650  -0.647  -4.438
   12    HG2  GLU   2           HG2      GLU   2  -1.861   0.754  -6.087
   13    HG3  GLU   2           HG3      GLU   2  -0.444   0.747  -7.141
   14    H    HIS   3           H        HIS   3  -0.653   3.153  -5.764
   15    HA   HIS   3           HA       HIS   3  -2.806   3.484  -3.747
   16    HB2  HIS   3           HB2      HIS   3  -1.059   5.683  -4.939
   17    HB3  HIS   3           HB3      HIS   3  -2.643   5.979  -4.228
   18    HD1  HIS   3           HD1      HIS   3  -2.795   5.999  -1.566
   19    HD2  HIS   3           HD2      HIS   3   0.914   4.831  -3.179
   20    HE1  HIS   3           HE1      HIS   3  -1.170   5.889   0.388
   21    H    TRP   4           H        TRP   4  -4.741   3.459  -4.740
   22    HA   TRP   4           HA       TRP   4  -4.911   3.682  -7.696
   23    HB2  TRP   4           HB2      TRP   4  -6.866   2.751  -5.556
   24    HB3  TRP   4           HB3      TRP   4  -7.359   3.128  -7.193
   25    HD1  TRP   4           HD1      TRP   4  -4.566   0.909  -5.637
   26    HE1  TRP   4           HE1      TRP   4  -4.270  -1.190  -7.012
   27    HE3  TRP   4           HE3      TRP   4  -8.198   1.784  -9.147
   28    HZ2  TRP   4           HZ2      TRP   4  -5.571  -2.446  -9.313
   29    HZ3  TRP   4           HZ3      TRP   4  -8.641   0.113 -10.920
   30    HH2  TRP   4           HH2      TRP   4  -7.339  -2.002 -11.014
   31    H    ILE   5           H        ILE   5  -5.422   5.645  -8.515
   32    HA   ILE   5           HA       ILE   5  -6.610   7.686  -6.693
   33    HB   ILE   5           HB       ILE   5  -4.290   8.117  -8.615
   34   HG12  ILE   5          HG12      ILE   5  -4.338   8.102  -5.560
   35   HG13  ILE   5          HG13      ILE   5  -3.515   6.943  -6.602
   36   HG21  ILE   5          HG21      ILE   5  -4.296  10.429  -7.788
   37   HG22  ILE   5          HG22      ILE   5  -5.871  10.046  -8.449
   38   HG23  ILE   5          HG23      ILE   5  -5.649  10.062  -6.690
   39   HD11  ILE   5          HD11      ILE   5  -2.114   8.891  -7.452
   40   HD12  ILE   5          HD12      ILE   5  -2.806   9.845  -6.118
   41   HD13  ILE   5          HD13      ILE   5  -1.858   8.395  -5.764
   42    H    ASP   6           H        ASP   6  -8.526   8.201  -7.518
   43    HA   ASP   6           HA       ASP   6  -9.234   7.874 -10.335
   44    HB2  ASP   6           HB2      ASP   6 -10.827   7.821  -8.348
   45    HB3  ASP   6           HB3      ASP   6 -10.554   9.539  -8.145
   46    H    VAL   7           H        VAL   7  -8.722   9.421 -11.891
   47    HA   VAL   7           HA       VAL   7  -7.865  12.113 -10.935
   48    HB   VAL   7           HB       VAL   7  -6.246  12.250 -12.690
   49   HG11  VAL   7          HG11      VAL   7  -5.543  11.202 -10.523
   50   HG12  VAL   7          HG12      VAL   7  -5.814   9.607 -11.240
   51   HG13  VAL   7          HG13      VAL   7  -4.579  10.691 -11.910
   52   HG21  VAL   7          HG21      VAL   7  -7.315  10.808 -14.401
   53   HG22  VAL   7          HG22      VAL   7  -5.626  10.400 -14.103
   54   HG23  VAL   7          HG23      VAL   7  -6.906   9.368 -13.441
   55    H    ARG   8           H        ARG   8 -10.521  10.788 -12.158
   56    HA   ARG   8           HA       ARG   8 -11.021  12.628 -14.385
   57    HB2  ARG   8           HB2      ARG   8 -13.096  11.762 -14.538
   58    HB3  ARG   8           HB3      ARG   8 -12.217  10.399 -13.859
   59    HG2  ARG   8           HG2      ARG   8 -13.106  11.169 -11.561
   60    HG3  ARG   8           HG3      ARG   8 -14.129  12.259 -12.474
   61    HD2  ARG   8           HD2      ARG   8 -15.560  10.477 -12.518
   62    HD3  ARG   8           HD3      ARG   8 -14.600   9.978 -13.909
   63    HE   ARG   8           HE       ARG   8 -13.267   9.018 -11.648
   64   HH11  ARG   8          HH11      ARG   8 -16.611   8.547 -12.912
   65   HH12  ARG   8          HH12      ARG   8 -16.962   7.356 -11.696
   66   HH21  ARG   8          HH21      ARG   8 -13.888   7.628 -10.120
   67   HH22  ARG   8          HH22      ARG   8 -15.423   6.785 -10.178
   68    H    VAL   9           H        VAL   9 -12.697  14.315 -14.243
   69    HA   VAL   9           HA       VAL   9 -11.849  16.294 -12.488
   70    HB   VAL   9           HB       VAL   9 -13.815  17.595 -13.259
   71   HG11  VAL   9          HG11      VAL   9 -11.709  17.484 -14.560
   72   HG12  VAL   9          HG12      VAL   9 -12.355  16.115 -15.492
   73   HG13  VAL   9          HG13      VAL   9 -13.129  17.707 -15.589
   74   HG21  VAL   9          HG21      VAL   9 -15.511  15.840 -13.454
   75   HG22  VAL   9          HG22      VAL   9 -15.305  16.695 -14.983
   76   HG23  VAL   9          HG23      VAL   9 -14.607  15.077 -14.788
   77    HA   PRO  10           HA       PRO  10 -13.379  15.169  -8.686
   78    HB2  PRO  10           HB2      PRO  10 -14.270  17.484  -7.407
   79    HB3  PRO  10           HB3      PRO  10 -12.572  16.979  -7.617
   80    HG2  PRO  10           HG2      PRO  10 -14.176  18.927  -9.271
   81    HG3  PRO  10           HG3      PRO  10 -12.451  19.052  -8.741
   82    HD2  PRO  10           HD2      PRO  10 -13.183  18.297 -11.251
   83    HD3  PRO  10           HD3      PRO  10 -11.744  17.623 -10.448
   84    H    GLU  11           H        GLU  11 -15.863  17.259 -10.259
   85    HA   GLU  11           HA       GLU  11 -18.060  16.243  -8.735
   86    HB2  GLU  11           HB2      GLU  11 -17.728  17.679 -11.372
   87    HB3  GLU  11           HB3      GLU  11 -19.295  16.953 -10.972
   88    HG2  GLU  11           HG2      GLU  11 -19.331  19.267 -10.305
   89    HG3  GLU  11           HG3      GLU  11 -19.398  18.244  -8.876
   90    H    GLN  12           H        GLN  12 -16.259  14.768 -11.395
   91    HA   GLN  12           HA       GLN  12 -18.485  12.921 -12.026
   92    HB2  GLN  12           HB2      GLN  12 -15.729  13.385 -13.270
   93    HB3  GLN  12           HB3      GLN  12 -16.715  11.986 -13.654
   94    HG2  GLN  12           HG2      GLN  12 -17.631  14.872 -13.994
   95    HG3  GLN  12           HG3      GLN  12 -16.986  13.854 -15.276
   96   HE21  GLN  12          HE22      GLN  12 -19.875  14.887 -13.820
   97   HE22  GLN  12          HE21      GLN  12 -20.925  13.634 -14.425
   98    H    TYR  13           H        TYR  13 -15.375  13.131 -10.292
   99    HA   TYR  13           HA       TYR  13 -15.004  10.406  -9.763
  100    HB2  TYR  13           HB2      TYR  13 -13.187  11.474  -9.002
  101    HB3  TYR  13           HB3      TYR  13 -14.038  12.960  -8.693
  102    HD1  TYR  13           HD1      TYR  13 -13.575   9.519  -7.234
  103    HD2  TYR  13           HD2      TYR  13 -14.382  13.689  -6.481
  104    HE1  TYR  13           HE1      TYR  13 -13.369   9.123  -4.804
  105    HE2  TYR  13           HE2      TYR  13 -14.225  13.288  -4.047
  106    HH   TYR  13           HH       TYR  13 -13.494  10.048  -2.669
  107    H    GLN  14           H        GLN  14 -16.931  12.825  -7.944
  108    HA   GLN  14           HA       GLN  14 -17.614  11.182  -5.791
  109    HB2  GLN  14           HB2      GLN  14 -19.172  13.468  -7.069
  110    HB3  GLN  14           HB3      GLN  14 -19.561  12.789  -5.495
  111    HG2  GLN  14           HG2      GLN  14 -16.865  14.062  -6.132
  112    HG3  GLN  14           HG3      GLN  14 -18.241  14.938  -5.494
  113   HE21  GLN  14          HE22      GLN  14 -16.583  15.448  -3.765
  114   HE22  GLN  14          HE21      GLN  14 -16.469  14.337  -2.423
  115    H    GLN  15           H        GLN  15 -18.881  10.958  -9.043
  116    HA   GLN  15           HA       GLN  15 -21.545  10.187  -8.377
  117    HB2  GLN  15           HB2      GLN  15 -19.964   9.588 -10.915
  118    HB3  GLN  15           HB3      GLN  15 -21.715   9.522 -10.731
  119    HG2  GLN  15           HG2      GLN  15 -19.958  12.011 -10.578
  120    HG3  GLN  15           HG3      GLN  15 -21.062  11.600 -11.868
  121   HE21  GLN  15          HE22      GLN  15 -20.785  13.838  -9.668
  122   HE22  GLN  15          HE21      GLN  15 -22.434  14.009  -9.083
  123    H    GLU  16           H        GLU  16 -18.614   8.232  -9.108
  124    HA   GLU  16           HA       GLU  16 -19.154   6.247  -7.232
  125    HB2  GLU  16           HB2      GLU  16 -19.522   4.274  -8.703
  126    HB3  GLU  16           HB3      GLU  16 -20.918   5.326  -8.619
  127    HG2  GLU  16           HG2      GLU  16 -20.270   6.315 -10.847
  128    HG3  GLU  16           HG3      GLU  16 -18.962   5.137 -10.943
  129    H    HIS  17           H        HIS  17 -17.143   5.138  -6.926
  130    HA   HIS  17           HA       HIS  17 -15.111   5.211  -9.045
  131    HB2  HIS  17           HB2      HIS  17 -13.581   6.571  -7.955
  132    HB3  HIS  17           HB3      HIS  17 -15.073   7.441  -7.695
  133    HD1  HIS  17           HD1      HIS  17 -16.206   6.223  -5.060
  134    HD2  HIS  17           HD2      HIS  17 -12.096   6.673  -5.887
  135    HE1  HIS  17           HE1      HIS  17 -15.017   6.335  -2.804
  136    H    VAL  18           H        VAL  18 -13.036   4.067  -8.194
  137    HA   VAL  18           HA       VAL  18 -13.894   1.464  -7.432
  138    HB   VAL  18           HB       VAL  18 -11.103   2.669  -7.628
  139   HG11  VAL  18          HG11      VAL  18 -11.994  -0.220  -7.349
  140   HG12  VAL  18          HG12      VAL  18 -10.372   0.269  -7.900
  141   HG13  VAL  18          HG13      VAL  18 -10.912   0.684  -6.274
  142   HG21  VAL  18          HG21      VAL  18 -12.703   0.950  -9.590
  143   HG22  VAL  18          HG22      VAL  18 -12.366   2.682  -9.782
  144   HG23  VAL  18          HG23      VAL  18 -11.036   1.532  -9.817
  145    H    GLN  19           H        GLN  19 -13.905   0.411  -5.527
  146    HA   GLN  19           HA       GLN  19 -14.163   1.809  -3.110
  147    HB2  GLN  19           HB2      GLN  19 -15.078  -0.439  -3.727
  148    HB3  GLN  19           HB3      GLN  19 -13.478  -1.138  -3.517
  149    HG2  GLN  19           HG2      GLN  19 -15.021   0.335  -1.330
  150    HG3  GLN  19           HG3      GLN  19 -15.137  -1.397  -1.591
  151   HE21  GLN  19          HE22      GLN  19 -13.917   0.498   0.637
  152   HE22  GLN  19          HE21      GLN  19 -12.392  -0.277   0.973
  153    H    GLY  20           H        GLY  20 -12.746   2.568  -1.625
  154    HA2  GLY  20           HA2      GLY  20 -10.936   2.619  -0.235
  155    HA3  GLY  20           HA3      GLY  20 -10.233   1.240  -1.086
  156    H    ALA  21           H        ALA  21 -10.919   3.544  -3.453
  157    HA   ALA  21           HA       ALA  21  -8.126   4.327  -3.743
  158    HB1  ALA  21           HB1      ALA  21  -9.563   3.773  -5.667
  159    HB2  ALA  21           HB2      ALA  21 -10.654   5.110  -5.230
  160    HB3  ALA  21           HB3      ALA  21  -8.999   5.452  -5.776
  161    H    ILE  22           H        ILE  22  -7.938   6.758  -4.488
  162    HA   ILE  22           HA       ILE  22  -9.266   8.680  -2.659
  163    HB   ILE  22           HB       ILE  22  -6.998   8.145  -1.812
  164   HG12  ILE  22          HG12      ILE  22  -7.094  10.963  -2.962
  165   HG13  ILE  22          HG13      ILE  22  -7.876  10.426  -1.464
  166   HG21  ILE  22          HG21      ILE  22  -5.902   9.293  -4.405
  167   HG22  ILE  22          HG22      ILE  22  -4.974   8.600  -3.056
  168   HG23  ILE  22          HG23      ILE  22  -5.971   7.552  -4.028
  169   HD11  ILE  22          HD11      ILE  22  -5.810  11.554  -0.921
  170   HD12  ILE  22          HD12      ILE  22  -5.564   9.821  -0.606
  171   HD13  ILE  22          HD13      ILE  22  -4.892  10.574  -2.076
  172    H    ASN  23           H        ASN  23  -8.893  11.021  -3.797
  173    HA   ASN  23           HA       ASN  23  -8.935  10.678  -6.749
  174    HB2  ASN  23           HB2      ASN  23 -11.207  10.835  -6.187
  175    HB3  ASN  23           HB3      ASN  23 -10.944  12.162  -5.050
  176   HD21  ASN  23          HD22      ASN  23 -10.018  11.609  -8.581
  177   HD22  ASN  23          HD21      ASN  23 -10.784  13.086  -9.111
  178    H    ILE  24           H        ILE  24  -7.546  11.900  -7.717
  179    HA   ILE  24           HA       ILE  24  -7.019  14.614  -6.741
  180    HB   ILE  24           HB       ILE  24  -4.720  12.822  -7.592
  181   HG12  ILE  24          HG12      ILE  24  -5.480  13.820  -4.808
  182   HG13  ILE  24          HG13      ILE  24  -5.469  12.140  -5.344
  183   HG21  ILE  24          HG21      ILE  24  -4.864  15.678  -6.505
  184   HG22  ILE  24          HG22      ILE  24  -3.386  14.820  -7.007
  185   HG23  ILE  24          HG23      ILE  24  -4.616  15.237  -8.200
  186   HD11  ILE  24          HD11      ILE  24  -3.041  13.915  -4.976
  187   HD12  ILE  24          HD12      ILE  24  -3.527  12.509  -4.028
  188   HD13  ILE  24          HD13      ILE  24  -3.004  12.291  -5.712
  189    HA   PRO  25           HA       PRO  25  -8.692  14.196 -11.026
  190    HB2  PRO  25           HB2      PRO  25  -8.904  17.158 -10.514
  191    HB3  PRO  25           HB3      PRO  25 -10.070  16.057 -11.302
  192    HG2  PRO  25           HG2      PRO  25 -10.426  16.889  -8.724
  193    HG3  PRO  25           HG3      PRO  25 -10.778  15.191  -9.188
  194    HD2  PRO  25           HD2      PRO  25  -8.305  16.323  -7.868
  195    HD3  PRO  25           HD3      PRO  25  -9.201  14.848  -7.451
  196    H    LEU  26           H        LEU  26  -7.736  14.866 -13.054
  197    HA   LEU  26           HA       LEU  26  -5.057  15.400 -13.265
  198    HB2  LEU  26           HB2      LEU  26  -6.503  14.719 -15.109
  199    HB3  LEU  26           HB3      LEU  26  -7.306  16.294 -15.105
  200    HG   LEU  26           HG       LEU  26  -5.105  17.356 -15.762
  201   HD11  LEU  26          HD11      LEU  26  -3.544  15.627 -14.937
  202   HD12  LEU  26          HD12      LEU  26  -4.239  14.443 -16.066
  203   HD13  LEU  26          HD13      LEU  26  -3.338  15.853 -16.674
  204   HD21  LEU  26          HD21      LEU  26  -6.160  15.184 -17.615
  205   HD22  LEU  26          HD22      LEU  26  -6.850  16.805 -17.411
  206   HD23  LEU  26          HD23      LEU  26  -5.232  16.627 -18.093
  207    H    LYS  27           H        LYS  27  -7.610  17.881 -12.925
  208    HA   LYS  27           HA       LYS  27  -5.948  20.173 -13.305
  209    HB2  LYS  27           HB2      LYS  27  -8.504  19.892 -11.659
  210    HB3  LYS  27           HB3      LYS  27  -7.806  21.403 -12.225
  211    HG2  LYS  27           HG2      LYS  27  -8.976  19.207 -13.990
  212    HG3  LYS  27           HG3      LYS  27  -9.722  20.751 -13.581
  213    HD2  LYS  27           HD2      LYS  27  -7.839  21.944 -14.726
  214    HD3  LYS  27           HD3      LYS  27  -7.179  20.369 -15.225
  215    HE2  LYS  27           HE2      LYS  27  -9.289  19.854 -16.418
  216    HE3  LYS  27           HE3      LYS  27  -9.966  21.405 -15.908
  217    HZ1  LYS  27           HZ1      LYS  27  -7.602  21.081 -17.668
  218    HZ2  LYS  27           HZ2      LYS  27  -9.094  21.520 -18.151
  219    HZ3  LYS  27           HZ3      LYS  27  -8.233  22.514 -17.193
  220    H    GLU  28           H        GLU  28  -6.181  18.029 -10.564
  221    HA   GLU  28           HA       GLU  28  -4.968  20.050  -8.748
  222    HB2  GLU  28           HB2      GLU  28  -6.475  17.496  -8.067
  223    HB3  GLU  28           HB3      GLU  28  -5.823  18.673  -6.932
  224    HG2  GLU  28           HG2      GLU  28  -7.351  20.403  -8.067
  225    HG3  GLU  28           HG3      GLU  28  -8.203  19.028  -8.803
  226    H    VAL  29           H        VAL  29  -4.252  17.129 -10.522
  227    HA   VAL  29           HA       VAL  29  -2.534  15.724  -8.888
  228    HB   VAL  29           HB       VAL  29  -2.413  16.253 -11.868
  229   HG11  VAL  29          HG11      VAL  29  -0.699  14.271 -10.314
  230   HG12  VAL  29          HG12      VAL  29  -0.868  14.309 -12.072
  231   HG13  VAL  29          HG13      VAL  29  -0.096  15.663 -11.246
  232   HG21  VAL  29          HG21      VAL  29  -3.213  13.921 -12.011
  233   HG22  VAL  29          HG22      VAL  29  -3.139  13.763 -10.241
  234   HG23  VAL  29          HG23      VAL  29  -4.295  14.858 -10.990
  235    H    LYS  30           H        LYS  30  -1.523  18.561 -10.868
  236    HA   LYS  30           HA       LYS  30   1.178  18.417 -10.034
  237    HB2  LYS  30           HB2      LYS  30  -0.399  20.814 -11.073
  238    HB3  LYS  30           HB3      LYS  30   1.362  20.717 -10.946
  239    HG2  LYS  30           HG2      LYS  30   1.346  18.739 -12.497
  240    HG3  LYS  30           HG3      LYS  30  -0.404  18.925 -12.668
  241    HD2  LYS  30           HD2      LYS  30   0.632  19.911 -14.581
  242    HD3  LYS  30           HD3      LYS  30  -0.062  21.212 -13.601
  243    HE2  LYS  30           HE2      LYS  30   2.193  21.697 -12.660
  244    HE3  LYS  30           HE3      LYS  30   2.877  20.366 -13.601
  245    HZ1  LYS  30           HZ1      LYS  30   2.264  21.570 -15.619
  246    HZ2  LYS  30           HZ2      LYS  30   1.627  22.798 -14.746
  247    HZ3  LYS  30           HZ3      LYS  30   3.225  22.493 -14.683
  248    H    GLU  31           H        GLU  31  -1.467  19.357  -8.076
  249    HA   GLU  31           HA       GLU  31   0.294  21.045  -6.350
  250    HB2  GLU  31           HB2      GLU  31  -2.733  21.044  -6.677
  251    HB3  GLU  31           HB3      GLU  31  -1.825  22.011  -5.510
  252    HG2  GLU  31           HG2      GLU  31  -0.572  23.067  -7.426
  253    HG3  GLU  31           HG3      GLU  31  -1.643  22.222  -8.545
  254    H    ARG  32           H        ARG  32  -1.234  17.946  -6.526
  255    HA   ARG  32           HA       ARG  32  -1.001  17.686  -3.558
  256    HB2  ARG  32           HB2      ARG  32  -3.314  18.337  -4.305
  257    HB3  ARG  32           HB3      ARG  32  -3.434  16.800  -5.159
  258    HG2  ARG  32           HG2      ARG  32  -3.352  15.554  -3.071
  259    HG3  ARG  32           HG3      ARG  32  -2.794  16.985  -2.192
  260    HD2  ARG  32           HD2      ARG  32  -5.059  16.730  -1.595
  261    HD3  ARG  32           HD3      ARG  32  -4.977  18.099  -2.700
  262    HE   ARG  32           HE       ARG  32  -5.872  15.334  -3.467
  263   HH11  ARG  32          HH11      ARG  32  -6.315  18.849  -3.595
  264   HH12  ARG  32          HH12      ARG  32  -7.697  18.798  -4.637
  265   HH21  ARG  32          HH21      ARG  32  -7.866  15.256  -4.759
  266   HH22  ARG  32          HH22      ARG  32  -8.474  16.782  -5.389
  267    H    ILE  33           H        ILE  33  -0.392  16.127  -6.644
  268    HA   ILE  33           HA       ILE  33  -0.741  13.494  -5.739
  269    HB   ILE  33           HB       ILE  33  -0.510  14.112  -8.076
  270   HG12  ILE  33          HG12      ILE  33   0.843  12.187  -8.831
  271   HG13  ILE  33          HG13      ILE  33   1.549  12.022  -7.235
  272   HG21  ILE  33          HG21      ILE  33   1.458  14.759  -9.182
  273   HG22  ILE  33          HG22      ILE  33   1.552  15.687  -7.699
  274   HG23  ILE  33          HG23      ILE  33   2.514  14.212  -7.857
  275   HD11  ILE  33          HD11      ILE  33  -0.648  11.394  -6.323
  276   HD12  ILE  33          HD12      ILE  33  -1.420  11.747  -7.891
  277   HD13  ILE  33          HD13      ILE  33  -0.269  10.405  -7.739
  278    H    ALA  34           H        ALA  34   2.078  15.638  -5.292
  279    HA   ALA  34           HA       ALA  34   3.863  13.693  -4.294
  280    HB1  ALA  34           HB1      ALA  34   3.613  16.637  -3.532
  281    HB2  ALA  34           HB2      ALA  34   5.026  15.600  -3.254
  282    HB3  ALA  34           HB3      ALA  34   4.534  15.986  -4.913
  283    H    THR  35           H        THR  35   1.093  15.285  -2.666
  284    HA   THR  35           HA       THR  35   1.875  14.586  -0.012
  285    HB   THR  35           HB       THR  35  -0.953  15.013  -1.051
  286    HG1  THR  35           HG1      THR  35  -0.552  17.220  -0.818
  287   HG21  THR  35          HG21      THR  35  -0.755  14.403   1.340
  288   HG22  THR  35          HG22      THR  35   0.404  15.726   1.593
  289   HG23  THR  35          HG23      THR  35  -1.287  16.080   1.160
  290    H    ALA  36           H        ALA  36  -0.029  12.916  -2.567
  291    HA   ALA  36           HA       ALA  36  -0.720  10.696  -0.769
  292    HB1  ALA  36           HB1      ALA  36  -1.800   9.772  -2.808
  293    HB2  ALA  36           HB2      ALA  36  -2.339  11.416  -2.423
  294    HB3  ALA  36           HB3      ALA  36  -1.177  11.145  -3.749
  295    H    VAL  37           H        VAL  37   1.693  11.392  -3.288
  296    HA   VAL  37           HA       VAL  37   2.881   8.688  -2.937
  297    HB   VAL  37           HB       VAL  37   2.654  10.127  -5.601
  298   HG11  VAL  37          HG11      VAL  37   4.444   8.331  -5.179
  299   HG12  VAL  37          HG12      VAL  37   3.117   7.182  -4.958
  300   HG13  VAL  37          HG13      VAL  37   3.336   8.010  -6.514
  301   HG21  VAL  37          HG21      VAL  37   0.803   7.956  -4.525
  302   HG22  VAL  37          HG22      VAL  37   0.349   9.617  -4.967
  303   HG23  VAL  37          HG23      VAL  37   0.888   8.506  -6.215
  304    HA   PRO  38           HA       PRO  38   5.672  12.226  -2.097
  305    HB2  PRO  38           HB2      PRO  38   6.951  11.323   0.147
  306    HB3  PRO  38           HB3      PRO  38   5.266  11.921   0.160
  307    HG2  PRO  38           HG2      PRO  38   6.212   9.040  -0.035
  308    HG3  PRO  38           HG3      PRO  38   5.001   9.733   1.097
  309    HD2  PRO  38           HD2      PRO  38   4.262   8.504  -1.216
  310    HD3  PRO  38           HD3      PRO  38   3.389   9.944  -0.608
  311    H    ASP  39           H        ASP  39   6.442   9.213  -3.431
  312    HA   ASP  39           HA       ASP  39   9.249  10.041  -3.856
  313    HB2  ASP  39           HB2      ASP  39   9.263   8.500  -1.904
  314    HB3  ASP  39           HB3      ASP  39   8.450   7.271  -2.880
  315    H    LYS  40           H        LYS  40   9.976   9.567  -5.854
  316    HA   LYS  40           HA       LYS  40   8.080   9.231  -7.904
  317    HB2  LYS  40           HB2      LYS  40  11.117   9.158  -7.878
  318    HB3  LYS  40           HB3      LYS  40  10.173   9.080  -9.366
  319    HG2  LYS  40           HG2      LYS  40   9.145  11.242  -8.938
  320    HG3  LYS  40           HG3      LYS  40   9.907  11.346  -7.341
  321    HD2  LYS  40           HD2      LYS  40  12.148  11.426  -8.375
  322    HD3  LYS  40           HD3      LYS  40  11.436  11.219  -9.972
  323    HE2  LYS  40           HE2      LYS  40  11.938  13.539  -9.734
  324    HE3  LYS  40           HE3      LYS  40  10.183  13.369  -9.686
  325    HZ1  LYS  40           HZ1      LYS  40  11.932  13.726  -7.314
  326    HZ2  LYS  40           HZ2      LYS  40  11.008  14.882  -7.988
  327    HZ3  LYS  40           HZ3      LYS  40  10.298  13.607  -7.267
  328    H    ASN  41           H        ASN  41   9.913   6.743  -6.203
  329    HA   ASN  41           HA       ASN  41   9.621   4.859  -8.415
  330    HB2  ASN  41           HB2      ASN  41  11.189   3.625  -7.474
  331    HB3  ASN  41           HB3      ASN  41  11.544   5.046  -6.508
  332   HD21  ASN  41          HD22      ASN  41  10.298   5.145  -4.336
  333   HD22  ASN  41          HD21      ASN  41  10.062   3.620  -3.487
  334    H    ASP  42           H        ASP  42   7.531   5.903  -5.879
  335    HA   ASP  42           HA       ASP  42   6.477   3.288  -5.200
  336    HB2  ASP  42           HB2      ASP  42   6.429   5.236  -3.658
  337    HB3  ASP  42           HB3      ASP  42   5.259   6.022  -4.732
  338    H    THR  43           H        THR  43   4.403   2.413  -5.786
  339    HA   THR  43           HA       THR  43   3.942   2.838  -8.622
  340    HB   THR  43           HB       THR  43   2.277   0.975  -6.937
  341    HG1  THR  43           HG1      THR  43   4.029   0.262  -6.165
  342   HG21  THR  43          HG21      THR  43   2.498  -0.504  -8.895
  343   HG22  THR  43          HG22      THR  43   1.827   1.066  -9.354
  344   HG23  THR  43          HG23      THR  43   3.530   0.699  -9.700
  345    H    VAL  44           H        VAL  44   1.996   3.514  -9.636
  346    HA   VAL  44           HA       VAL  44  -0.215   4.427  -7.881
  347    HB   VAL  44           HB       VAL  44   0.789   6.114 -10.196
  348   HG11  VAL  44          HG11      VAL  44  -0.552   7.872  -9.097
  349   HG12  VAL  44          HG12      VAL  44  -1.553   6.466  -9.461
  350   HG13  VAL  44          HG13      VAL  44  -0.989   6.734  -7.800
  351   HG21  VAL  44          HG21      VAL  44   1.543   6.451  -7.269
  352   HG22  VAL  44          HG22      VAL  44   2.650   6.188  -8.635
  353   HG23  VAL  44          HG23      VAL  44   1.754   7.699  -8.522
  354    H    LYS  45           H        LYS  45  -2.201   4.014  -8.768
  355    HA   LYS  45           HA       LYS  45  -2.323   2.983 -11.569
  356    HB2  LYS  45           HB2      LYS  45  -3.782   2.000  -9.082
  357    HB3  LYS  45           HB3      LYS  45  -4.240   1.554 -10.722
  358    HG2  LYS  45           HG2      LYS  45  -1.499   1.003  -9.496
  359    HG3  LYS  45           HG3      LYS  45  -2.838  -0.146  -9.529
  360    HD2  LYS  45           HD2      LYS  45  -2.806  -0.250 -11.959
  361    HD3  LYS  45           HD3      LYS  45  -1.633   1.060 -12.056
  362    HE2  LYS  45           HE2      LYS  45  -0.511  -1.022 -12.464
  363    HE3  LYS  45           HE3      LYS  45   0.089  -0.290 -10.973
  364    HZ1  LYS  45           HZ1      LYS  45  -1.111  -1.867  -9.693
  365    HZ2  LYS  45           HZ2      LYS  45  -1.929  -2.459 -11.008
  366    HZ3  LYS  45           HZ3      LYS  45  -0.325  -2.708 -10.842
  367    H    VAL  46           H        VAL  46  -2.954   4.801 -12.575
  368    HA   VAL  46           HA       VAL  46  -4.992   6.517 -11.300
  369    HB   VAL  46           HB       VAL  46  -4.627   7.991 -13.284
  370   HG11  VAL  46          HG11      VAL  46  -2.142   7.387 -11.624
  371   HG12  VAL  46          HG12      VAL  46  -2.530   8.915 -12.436
  372   HG13  VAL  46          HG13      VAL  46  -3.530   8.356 -11.086
  373   HG21  VAL  46          HG21      VAL  46  -3.624   6.325 -14.865
  374   HG22  VAL  46          HG22      VAL  46  -2.633   7.770 -14.653
  375   HG23  VAL  46          HG23      VAL  46  -2.173   6.262 -13.846
  376    H    TYR  47           H        TYR  47  -7.088   6.765 -12.116
  377    HA   TYR  47           HA       TYR  47  -7.814   5.485 -14.634
  378    HB2  TYR  47           HB2      TYR  47  -9.635   4.217 -13.777
  379    HB3  TYR  47           HB3      TYR  47  -8.163   3.661 -12.992
  380    HD1  TYR  47           HD2      TYR  47  -7.738   4.206 -10.580
  381    HD2  TYR  47           HD1      TYR  47 -11.429   5.284 -12.547
  382    HE1  TYR  47           HE2      TYR  47  -8.805   4.571  -8.376
  383    HE2  TYR  47           HE1      TYR  47 -12.489   5.674 -10.342
  384    HH   TYR  47           HH       TYR  47 -10.750   5.157  -7.265
  385    H    CYS  48           H        CYS  48 -10.039   6.245 -15.298
  386    HA   CYS  48           HA       CYS  48 -11.254   8.394 -13.823
  387    HB2  CYS  48           HB2      CYS  48 -10.711  10.204 -15.380
  388    HB3  CYS  48           HB3      CYS  48  -9.224   9.537 -14.741
  389    HG   CYS  48           HG       CYS  48 -10.675   9.264 -17.694
  390    H    ASN  49           H        ASN  49 -12.553   9.634 -16.028
  391    HA   ASN  49           HA       ASN  49 -14.161   7.395 -17.135
  392    HB2  ASN  49           HB2      ASN  49 -15.386   9.356 -16.192
  393    HB3  ASN  49           HB3      ASN  49 -14.547  10.417 -17.337
  394   HD21  ASN  49          HD22      ASN  49 -16.621   7.430 -17.219
  395   HD22  ASN  49          HD21      ASN  49 -17.412   7.743 -18.738
  396    H    ALA  50           H        ALA  50 -13.898   6.808 -19.232
  397    HA   ALA  50           HA       ALA  50 -13.092   6.560 -21.282
  398    HB1  ALA  50           HB1      ALA  50 -13.188   9.595 -21.405
  399    HB2  ALA  50           HB2      ALA  50 -13.246   8.469 -22.778
  400    HB3  ALA  50           HB3      ALA  50 -14.580   8.505 -21.614
  401    H    GLY  51           H        GLY  51 -10.949   7.117 -19.078
  402    HA2  GLY  51           HA2      GLY  51  -8.726   6.631 -19.065
  403    HA3  GLY  51           HA3      GLY  51  -8.796   6.442 -20.814
  404    H    ARG  52           H        ARG  52  -9.679   9.333 -21.189
  405    HA   ARG  52           HA       ARG  52  -7.176  10.450 -21.769
  406    HB2  ARG  52           HB2      ARG  52  -9.804  11.878 -21.225
  407    HB3  ARG  52           HB3      ARG  52  -8.376  12.636 -21.944
  408    HG2  ARG  52           HG2      ARG  52  -8.464  11.097 -23.853
  409    HG3  ARG  52           HG3      ARG  52  -9.867  10.269 -23.168
  410    HD2  ARG  52           HD2      ARG  52  -9.799  13.212 -23.974
  411    HD3  ARG  52           HD3      ARG  52 -10.439  11.903 -24.957
  412    HE   ARG  52           HE       ARG  52 -12.242  11.575 -23.503
  413   HH11  ARG  52          HH21      ARG  52 -10.331  14.416 -22.542
  414   HH12  ARG  52          HH22      ARG  52 -11.568  15.079 -21.543
  415   HH21  ARG  52          HH11      ARG  52 -13.883  12.464 -22.172
  416   HH22  ARG  52          HH12      ARG  52 -13.622  13.935 -21.319
  417    H    GLN  53           H        GLN  53  -9.033  11.245 -18.806
  418    HA   GLN  53           HA       GLN  53  -7.008  13.085 -17.989
  419    HB2  GLN  53           HB2      GLN  53  -8.846  11.618 -16.069
  420    HB3  GLN  53           HB3      GLN  53  -7.935  13.080 -15.794
  421    HG2  GLN  53           HG2      GLN  53 -10.020  13.971 -16.122
  422    HG3  GLN  53           HG3      GLN  53  -9.354  14.086 -17.758
  423   HE21  GLN  53          HE22      GLN  53 -10.492  12.863 -19.448
  424   HE22  GLN  53          HE21      GLN  53 -11.725  11.663 -19.062
  425    H    SER  54           H        SER  54  -7.177   9.558 -17.752
  426    HA   SER  54           HA       SER  54  -5.029   9.316 -15.793
  427    HB2  SER  54           HB2      SER  54  -6.234   7.267 -17.689
  428    HB3  SER  54           HB3      SER  54  -5.104   6.952 -16.369
  429    HG   SER  54           HG       SER  54  -7.734   8.011 -16.169
  430    H    GLY  55           H        GLY  55  -5.244   9.022 -19.403
  431    HA2  GLY  55           HA2      GLY  55  -2.468   8.404 -19.774
  432    HA3  GLY  55           HA3      GLY  55  -3.555   9.151 -20.968
  433    H    GLN  56           H        GLN  56  -4.302  11.476 -19.766
  434    HA   GLN  56           HA       GLN  56  -2.178  13.286 -20.137
  435    HB2  GLN  56           HB2      GLN  56  -4.938  13.390 -18.875
  436    HB3  GLN  56           HB3      GLN  56  -3.871  14.812 -18.857
  437    HG2  GLN  56           HG2      GLN  56  -3.740  14.778 -21.302
  438    HG3  GLN  56           HG3      GLN  56  -4.720  13.315 -21.372
  439   HE21  GLN  56          HE22      GLN  56  -4.865  16.718 -21.505
  440   HE22  GLN  56          HE21      GLN  56  -6.577  16.903 -21.224
  441    H    ALA  57           H        ALA  57  -3.517  11.947 -17.026
  442    HA   ALA  57           HA       ALA  57  -1.696  13.350 -15.359
  443    HB1  ALA  57           HB1      ALA  57  -3.123  10.703 -14.873
  444    HB2  ALA  57           HB2      ALA  57  -2.318  11.694 -13.640
  445    HB3  ALA  57           HB3      ALA  57  -3.741  12.329 -14.486
  446    H    LYS  58           H        LYS  58  -1.478  10.058 -16.847
  447    HA   LYS  58           HA       LYS  58   0.972   9.324 -15.633
  448    HB2  LYS  58           HB2      LYS  58  -0.607   7.810 -16.840
  449    HB3  LYS  58           HB3      LYS  58  -0.106   8.533 -18.375
  450    HG2  LYS  58           HG2      LYS  58   2.215   7.728 -17.988
  451    HG3  LYS  58           HG3      LYS  58   1.711   7.026 -16.437
  452    HD2  LYS  58           HD2      LYS  58   0.120   5.535 -17.621
  453    HD3  LYS  58           HD3      LYS  58   0.579   6.273 -19.171
  454    HE2  LYS  58           HE2      LYS  58   2.944   5.529 -18.781
  455    HE3  LYS  58           HE3      LYS  58   2.422   4.712 -17.302
  456    HZ1  LYS  58           HZ1      LYS  58   2.530   3.194 -19.179
  457    HZ2  LYS  58           HZ2      LYS  58   0.982   3.295 -18.666
  458    HZ3  LYS  58           HZ3      LYS  58   1.458   4.072 -20.035
  459    H    GLU  59           H        GLU  59   0.343  11.189 -18.654
  460    HA   GLU  59           HA       GLU  59   3.066  11.399 -19.426
  461    HB2  GLU  59           HB2      GLU  59   0.623  13.116 -19.988
  462    HB3  GLU  59           HB3      GLU  59   2.226  13.532 -20.605
  463    HG2  GLU  59           HG2      GLU  59   2.406  11.343 -21.723
  464    HG3  GLU  59           HG3      GLU  59   0.812  10.885 -21.138
  465    H    ILE  60           H        ILE  60   1.095  13.858 -17.451
  466    HA   ILE  60           HA       ILE  60   3.423  15.459 -17.153
  467    HB   ILE  60           HB       ILE  60   2.194  16.696 -15.521
  468   HG12  ILE  60          HG12      ILE  60   0.188  14.435 -15.533
  469   HG13  ILE  60          HG13      ILE  60   1.163  14.981 -14.158
  470   HG21  ILE  60          HG21      ILE  60   0.295  15.910 -17.764
  471   HG22  ILE  60          HG22      ILE  60   0.424  17.480 -16.947
  472   HG23  ILE  60          HG23      ILE  60   1.737  16.923 -17.982
  473   HD11  ILE  60          HD11      ILE  60  -0.059  17.143 -14.211
  474   HD12  ILE  60          HD12      ILE  60  -1.101  16.475 -15.504
  475   HD13  ILE  60          HD13      ILE  60  -1.096  15.738 -13.896
  476    H    LEU  61           H        LEU  61   2.208  12.701 -15.219
  477    HA   LEU  61           HA       LEU  61   4.040  13.208 -13.054
  478    HB2  LEU  61           HB2      LEU  61   2.541  10.706 -13.922
  479    HB3  LEU  61           HB3      LEU  61   3.525  10.802 -12.457
  480    HG   LEU  61           HG       LEU  61   1.182  12.677 -12.992
  481   HD11  LEU  61          HD11      LEU  61   0.354  10.371 -12.807
  482   HD12  LEU  61          HD12      LEU  61   1.244  10.157 -11.279
  483   HD13  LEU  61          HD13      LEU  61  -0.093  11.323 -11.389
  484   HD21  LEU  61          HD21      LEU  61   2.686  12.079 -10.425
  485   HD22  LEU  61          HD22      LEU  61   2.852  13.564 -11.393
  486   HD23  LEU  61          HD23      LEU  61   1.312  13.184 -10.669
  487    H    SER  62           H        SER  62   4.313  11.363 -16.094
  488    HA   SER  62           HA       SER  62   6.887  10.239 -15.499
  489    HB2  SER  62           HB2      SER  62   5.699  11.019 -18.195
  490    HB3  SER  62           HB3      SER  62   7.069   9.933 -17.917
  491    HG   SER  62           HG       SER  62   4.349   9.575 -17.169
  492    H    GLU  63           H        GLU  63   5.832  13.397 -16.888
  493    HA   GLU  63           HA       GLU  63   8.482  14.350 -17.402
  494    HB2  GLU  63           HB2      GLU  63   6.384  15.228 -18.419
  495    HB3  GLU  63           HB3      GLU  63   5.934  15.937 -16.864
  496    HG2  GLU  63           HG2      GLU  63   7.952  17.359 -16.905
  497    HG3  GLU  63           HG3      GLU  63   8.478  16.595 -18.408
  498    H    MET  64           H        MET  64   6.305  14.662 -14.549
  499    HA   MET  64           HA       MET  64   8.056  16.257 -12.955
  500    HB2  MET  64           HB2      MET  64   5.824  14.319 -12.236
  501    HB3  MET  64           HB3      MET  64   6.693  15.276 -11.034
  502    HG2  MET  64           HG2      MET  64   5.977  17.355 -12.018
  503    HG3  MET  64           HG3      MET  64   5.311  16.541 -13.421
  504    HE1  MET  64           HE1      MET  64   4.886  15.769  -9.485
  505    HE2  MET  64           HE2      MET  64   4.838  17.535  -9.700
  506    HE3  MET  64           HE3      MET  64   3.373  16.658  -9.215
  507    H    GLY  65           H        GLY  65   7.968  12.762 -13.590
  508    HA2  GLY  65           HA2      GLY  65  10.262  11.906 -13.717
  509    HA3  GLY  65           HA3      GLY  65  10.548  12.513 -12.089
  510    H    TYR  66           H        TYR  66   7.370  11.184 -12.218
  511    HA   TYR  66           HA       TYR  66   8.197   8.895 -10.610
  512    HB2  TYR  66           HB2      TYR  66   5.517   9.498 -11.913
  513    HB3  TYR  66           HB3      TYR  66   5.867   8.180 -10.796
  514    HD1  TYR  66           HD1      TYR  66   5.584  11.913 -11.036
  515    HD2  TYR  66           HD2      TYR  66   5.854   8.480  -8.433
  516    HE1  TYR  66           HE1      TYR  66   4.999  13.339  -9.099
  517    HE2  TYR  66           HE2      TYR  66   5.332   9.911  -6.494
  518    HH   TYR  66           HH       TYR  66   4.745  12.007  -5.758
  519    H    THR  67           H        THR  67   8.206   6.727 -11.261
  520    HA   THR  67           HA       THR  67   8.211   6.216 -14.199
  521    HB   THR  67           HB       THR  67  10.140   4.602 -13.406
  522    HG1  THR  67           HG1      THR  67  11.174   5.265 -11.583
  523   HG21  THR  67          HG21      THR  67  11.792   6.385 -13.735
  524   HG22  THR  67          HG22      THR  67  10.456   6.566 -14.882
  525   HG23  THR  67          HG23      THR  67  10.549   7.626 -13.460
  526    H    HIS  68           H        HIS  68   6.329   5.490 -11.642
  527    HA   HIS  68           HA       HIS  68   5.772   2.731 -12.590
  528    HB2  HIS  68           HB2      HIS  68   5.982   3.585  -9.674
  529    HB3  HIS  68           HB3      HIS  68   5.549   1.978 -10.257
  530    HD1  HIS  68           HD1      HIS  68   7.591   0.332 -10.648
  531    HD2  HIS  68           HD2      HIS  68   8.577   4.403 -10.244
  532    HE1  HIS  68           HE1      HIS  68  10.132   0.435 -10.527
  533    H    VAL  69           H        VAL  69   4.488   5.172 -13.260
  534    HA   VAL  69           HA       VAL  69   1.830   4.979 -11.937
  535    HB   VAL  69           HB       VAL  69   2.807   6.877 -14.124
  536   HG11  VAL  69          HG11      VAL  69   0.274   6.921 -12.415
  537   HG12  VAL  69          HG12      VAL  69   0.770   8.176 -13.567
  538   HG13  VAL  69          HG13      VAL  69   0.358   6.567 -14.154
  539   HG21  VAL  69          HG21      VAL  69   2.809   8.619 -12.362
  540   HG22  VAL  69          HG22      VAL  69   2.509   7.381 -11.130
  541   HG23  VAL  69          HG23      VAL  69   4.019   7.379 -12.061
  542    H    GLU  70           H        GLU  70   0.211   3.826 -13.010
  543    HA   GLU  70           HA       GLU  70   0.499   3.419 -15.902
  544    HB2  GLU  70           HB2      GLU  70   1.462   1.379 -14.862
  545    HB3  GLU  70           HB3      GLU  70  -0.007   1.158 -13.914
  546    HG2  GLU  70           HG2      GLU  70   0.052  -0.365 -15.818
  547    HG3  GLU  70           HG3      GLU  70  -1.305   0.737 -15.959
  548    H    ASN  71           H        ASN  71  -1.556   3.075 -16.922
  549    HA   ASN  71           HA       ASN  71  -3.818   4.156 -15.343
  550    HB2  ASN  71           HB2      ASN  71  -3.608   5.207 -17.490
  551    HB3  ASN  71           HB3      ASN  71  -3.467   3.643 -18.310
  552   HD21  ASN  71          HD22      ASN  71  -5.861   4.798 -15.754
  553   HD22  ASN  71          HD21      ASN  71  -7.245   4.458 -16.759
  554    H    ALA  72           H        ALA  72  -5.064   2.721 -14.281
  555    HA   ALA  72           HA       ALA  72  -4.954  -0.120 -14.727
  556    HB1  ALA  72           HB1      ALA  72  -5.547   0.828 -12.547
  557    HB2  ALA  72           HB2      ALA  72  -6.994   1.596 -13.239
  558    HB3  ALA  72           HB3      ALA  72  -6.876  -0.173 -13.156
  559    H    GLY  73           H        GLY  73  -7.059   2.469 -15.968
  560    HA2  GLY  73           HA2      GLY  73  -7.868   1.612 -18.342
  561    HA3  GLY  73           HA3      GLY  73  -8.905   0.612 -17.301
  562    H    GLY  74           H        GLY  74 -10.656   1.854 -18.358
  563    HA2  GLY  74           HA2      GLY  74 -11.145   4.536 -17.153
  564    HA3  GLY  74           HA3      GLY  74 -12.096   3.783 -18.444
  565    H    LEU  75           H        LEU  75 -13.052   4.759 -15.843
  566    HA   LEU  75           HA       LEU  75 -13.262   2.937 -13.826
  567    HB2  LEU  75           HB2      LEU  75 -13.988   5.285 -13.773
  568    HB3  LEU  75           HB3      LEU  75 -15.402   4.922 -14.739
  569    HG   LEU  75           HG       LEU  75 -15.711   5.269 -12.262
  570   HD11  LEU  75          HD11      LEU  75 -17.466   4.216 -13.608
  571   HD12  LEU  75          HD12      LEU  75 -16.826   2.612 -13.202
  572   HD13  LEU  75          HD13      LEU  75 -17.444   3.663 -11.930
  573   HD21  LEU  75          HD21      LEU  75 -14.562   2.479 -11.918
  574   HD22  LEU  75          HD22      LEU  75 -13.745   3.988 -11.481
  575   HD23  LEU  75          HD23      LEU  75 -15.249   3.530 -10.667
  576    H    LYS  76           H        LYS  76 -15.488   3.052 -16.641
  577    HA   LYS  76           HA       LYS  76 -17.226   0.994 -15.669
  578    HB2  LYS  76           HB2      LYS  76 -17.795   2.706 -17.399
  579    HB3  LYS  76           HB3      LYS  76 -16.717   1.890 -18.543
  580    HG2  LYS  76           HG2      LYS  76 -18.121  -0.141 -18.439
  581    HG3  LYS  76           HG3      LYS  76 -19.153   0.619 -17.210
  582    HD2  LYS  76           HD2      LYS  76 -19.797   2.374 -18.842
  583    HD3  LYS  76           HD3      LYS  76 -18.754   1.616 -20.068
  584    HE2  LYS  76           HE2      LYS  76 -20.093  -0.473 -19.907
  585    HE3  LYS  76           HE3      LYS  76 -21.129   0.280 -18.687
  586    HZ1  LYS  76           HZ1      LYS  76 -20.856   1.200 -21.492
  587    HZ2  LYS  76           HZ2      LYS  76 -22.125   0.385 -20.879
  588    HZ3  LYS  76           HZ3      LYS  76 -21.813   1.897 -20.363
  589    H    ASP  77           H        ASP  77 -14.216   0.887 -17.584
  590    HA   ASP  77           HA       ASP  77 -14.580  -1.871 -18.445
  591    HB2  ASP  77           HB2      ASP  77 -13.306  -0.276 -19.798
  592    HB3  ASP  77           HB3      ASP  77 -12.163  -0.022 -18.476
  593    H    ILE  78           H        ILE  78 -12.885  -0.184 -15.812
  594    HA   ILE  78           HA       ILE  78 -11.295  -2.327 -14.852
  595    HB   ILE  78           HB       ILE  78 -12.464   0.193 -13.629
  596   HG12  ILE  78          HG12      ILE  78  -9.567  -0.593 -14.212
  597   HG13  ILE  78          HG13      ILE  78 -10.591   0.215 -15.392
  598   HG21  ILE  78          HG21      ILE  78 -12.260  -1.335 -11.744
  599   HG22  ILE  78          HG22      ILE  78 -10.586  -1.757 -12.221
  600   HG23  ILE  78          HG23      ILE  78 -11.002  -0.128 -11.649
  601   HD11  ILE  78          HD11      ILE  78 -10.923   2.111 -13.806
  602   HD12  ILE  78          HD12      ILE  78  -9.745   1.357 -12.705
  603   HD13  ILE  78          HD13      ILE  78  -9.244   1.867 -14.318
  604    H    ALA  79           H        ALA  79 -11.810  -4.168 -13.810
  605    HA   ALA  79           HA       ALA  79 -14.597  -4.831 -13.369
  606    HB1  ALA  79           HB1      ALA  79 -12.974  -6.404 -14.385
  607    HB2  ALA  79           HB2      ALA  79 -12.051  -6.436 -12.861
  608    HB3  ALA  79           HB3      ALA  79 -13.706  -7.077 -12.920
  609    H    MET  80           H        MET  80 -12.316  -3.335 -11.338
  610    HA   MET  80           HA       MET  80 -12.748  -4.608  -8.838
  611    HB2  MET  80           HB2      MET  80 -12.101  -1.690  -9.455
  612    HB3  MET  80           HB3      MET  80 -11.964  -2.438  -7.874
  613    HG2  MET  80           HG2      MET  80 -10.390  -3.325 -10.318
  614    HG3  MET  80           HG3      MET  80  -9.796  -2.213  -9.096
  615    HE1  MET  80           HE1      MET  80 -10.417  -3.226  -6.297
  616    HE2  MET  80           HE2      MET  80  -9.071  -4.347  -6.006
  617    HE3  MET  80           HE3      MET  80  -8.780  -2.821  -6.869
  618    HA   PRO  81           HA       PRO  81 -16.835  -3.066  -7.752
  619    HB2  PRO  81           HB2      PRO  81 -16.732  -2.951  -5.013
  620    HB3  PRO  81           HB3      PRO  81 -16.768  -4.492  -5.923
  621    HG2  PRO  81           HG2      PRO  81 -14.345  -3.042  -4.813
  622    HG3  PRO  81           HG3      PRO  81 -14.772  -4.775  -4.639
  623    HD2  PRO  81           HD2      PRO  81 -13.022  -3.904  -6.530
  624    HD3  PRO  81           HD3      PRO  81 -14.158  -5.241  -6.871
  625    H    LYS  82           H        LYS  82 -17.923  -1.163  -6.706
  626    HA   LYS  82           HA       LYS  82 -16.132   1.193  -6.482
  627    HB2  LYS  82           HB2      LYS  82 -18.711   1.033  -8.120
  628    HB3  LYS  82           HB3      LYS  82 -17.870   2.514  -7.711
  629    HG2  LYS  82           HG2      LYS  82 -17.057   2.240  -9.792
  630    HG3  LYS  82           HG3      LYS  82 -15.794   1.395  -8.890
  631    HD2  LYS  82           HD2      LYS  82 -16.985  -0.772  -9.409
  632    HD3  LYS  82           HD3      LYS  82 -18.162   0.138 -10.365
  633    HE2  LYS  82           HE2      LYS  82 -16.438   0.857 -11.929
  634    HE3  LYS  82           HE3      LYS  82 -15.160   0.213 -10.884
  635    HZ1  LYS  82           HZ1      LYS  82 -15.981  -1.985 -11.260
  636    HZ2  LYS  82           HZ2      LYS  82 -17.194  -1.449 -12.248
  637    HZ3  LYS  82           HZ3      LYS  82 -15.617  -1.299 -12.694
  638    H    VAL  83           H        VAL  83 -17.071   3.014  -5.422
  639    HA   VAL  83           HA       VAL  83 -19.547   2.664  -3.882
  640    HB   VAL  83           HB       VAL  83 -18.509   3.486  -1.818
  641   HG11  VAL  83          HG11      VAL  83 -17.405   1.472  -1.075
  642   HG12  VAL  83          HG12      VAL  83 -18.738   1.036  -2.154
  643   HG13  VAL  83          HG13      VAL  83 -17.062   0.974  -2.742
  644   HG21  VAL  83          HG21      VAL  83 -16.023   3.449  -1.529
  645   HG22  VAL  83          HG22      VAL  83 -15.847   3.250  -3.289
  646   HG23  VAL  83          HG23      VAL  83 -16.593   4.712  -2.620
  647    H    LYS  84           H        LYS  84 -20.184   4.899  -2.978
  648    HA   LYS  84           HA       LYS  84 -19.538   6.929  -5.081
  649    HB2  LYS  84           HB2      LYS  84 -22.156   6.537  -3.574
  650    HB3  LYS  84           HB3      LYS  84 -21.833   7.663  -4.898
  651    HG2  LYS  84           HG2      LYS  84 -21.350   5.652  -6.374
  652    HG3  LYS  84           HG3      LYS  84 -21.928   4.618  -5.061
  653    HD2  LYS  84           HD2      LYS  84 -24.127   5.742  -5.113
  654    HD3  LYS  84           HD3      LYS  84 -23.557   6.811  -6.415
  655    HE2  LYS  84           HE2      LYS  84 -23.158   4.845  -7.867
  656    HE3  LYS  84           HE3      LYS  84 -23.714   3.768  -6.578
  657    HZ1  LYS  84           HZ1      LYS  84 -25.383   5.816  -7.924
  658    HZ2  LYS  84           HZ2      LYS  84 -25.464   4.209  -8.177
  659    HZ3  LYS  84           HZ3      LYS  84 -25.896   4.820  -6.732
  660    H    GLY  85           H        GLY  85 -19.948   9.191  -4.421
  661    HA2  GLY  85           HA2      GLY  85 -18.589  10.026  -2.086
  662    HA3  GLY  85           HA3      GLY  85 -19.699  10.999  -3.066
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1   3.528  -2.074  -3.888
    2    H2   ALA   1           H2       ALA   1   4.961  -1.747  -4.608
    3    H3   ALA   1           H3       ALA   1   4.927  -2.168  -3.016
    4    HA   ALA   1           HA       ALA   1   3.770  -0.180  -2.432
    5    HB1  ALA   1           HB1      ALA   1   6.227  -0.008  -2.431
    6    HB2  ALA   1           HB2      ALA   1   6.220   0.420  -4.157
    7    HB3  ALA   1           HB3      ALA   1   5.489   1.512  -2.964
    8    H    GLU   2           H        GLU   2   1.820   0.535  -3.198
    9    HA   GLU   2           HA       GLU   2   1.641   1.849  -5.777
   10    HB2  GLU   2           HB2      GLU   2  -0.062   0.370  -6.675
   11    HB3  GLU   2           HB3      GLU   2   1.412  -0.542  -6.417
   12    HG2  GLU   2           HG2      GLU   2  -1.064  -0.618  -4.654
   13    HG3  GLU   2           HG3      GLU   2  -0.612  -1.807  -5.861
   14    H    HIS   3           H        HIS   3  -0.434   2.913  -6.017
   15    HA   HIS   3           HA       HIS   3  -2.392   2.798  -3.846
   16    HB2  HIS   3           HB2      HIS   3  -0.955   5.375  -4.647
   17    HB3  HIS   3           HB3      HIS   3  -2.479   5.329  -3.766
   18    HD1  HIS   3           HD1      HIS   3  -2.278   4.004  -1.235
   19    HD2  HIS   3           HD2      HIS   3   1.158   5.517  -3.140
   20    HE1  HIS   3           HE1      HIS   3  -0.513   4.261   0.577
   21    H    TRP   4           H        TRP   4  -4.434   3.708  -4.597
   22    HA   TRP   4           HA       TRP   4  -4.689   3.855  -7.564
   23    HB2  TRP   4           HB2      TRP   4  -6.725   3.353  -5.358
   24    HB3  TRP   4           HB3      TRP   4  -7.129   3.575  -7.046
   25    HD1  TRP   4           HD1      TRP   4  -5.516   1.060  -4.663
   26    HE1  TRP   4           HE1      TRP   4  -5.552  -1.265  -5.707
   27    HE3  TRP   4           HE3      TRP   4  -7.176   2.323  -9.334
   28    HZ2  TRP   4           HZ2      TRP   4  -6.262  -2.454  -8.269
   29    HZ3  TRP   4           HZ3      TRP   4  -7.567   0.573 -11.041
   30    HH2  TRP   4           HH2      TRP   4  -7.105  -1.815 -10.526
   31    H    ILE   5           H        ILE   5  -4.578   5.921  -8.255
   32    HA   ILE   5           HA       ILE   5  -5.835   8.091  -6.618
   33    HB   ILE   5           HB       ILE   5  -3.432   8.144  -8.480
   34   HG12  ILE   5          HG12      ILE   5  -2.261   9.305  -6.715
   35   HG13  ILE   5          HG13      ILE   5  -3.693   9.380  -5.702
   36   HG21  ILE   5          HG21      ILE   5  -5.045  10.515  -7.442
   37   HG22  ILE   5          HG22      ILE   5  -3.449  10.636  -8.221
   38   HG23  ILE   5          HG23      ILE   5  -4.828  10.047  -9.133
   39   HD11  ILE   5          HD11      ILE   5  -1.929   7.713  -5.028
   40   HD12  ILE   5          HD12      ILE   5  -3.554   7.049  -5.184
   41   HD13  ILE   5          HD13      ILE   5  -2.352   6.760  -6.468
   42    H    ASP   6           H        ASP   6  -7.873   8.150  -7.428
   43    HA   ASP   6           HA       ASP   6  -8.513   7.789 -10.266
   44    HB2  ASP   6           HB2      ASP   6 -10.172   7.311  -8.521
   45    HB3  ASP   6           HB3      ASP   6 -10.017   8.947  -7.883
   46    H    VAL   7           H        VAL   7  -8.787   9.596 -11.735
   47    HA   VAL   7           HA       VAL   7  -7.642  12.163 -10.741
   48    HB   VAL   7           HB       VAL   7  -7.040  11.403 -13.553
   49   HG11  VAL   7          HG11      VAL   7  -4.922  12.471 -13.026
   50   HG12  VAL   7          HG12      VAL   7  -6.230  13.493 -12.440
   51   HG13  VAL   7          HG13      VAL   7  -5.300  12.495 -11.304
   52   HG21  VAL   7          HG21      VAL   7  -5.574  10.034 -11.264
   53   HG22  VAL   7          HG22      VAL   7  -6.520   9.224 -12.525
   54   HG23  VAL   7          HG23      VAL   7  -5.034  10.089 -12.947
   55    H    ARG   8           H        ARG   8 -10.518  11.097 -11.458
   56    HA   ARG   8           HA       ARG   8 -11.381  12.646 -13.730
   57    HB2  ARG   8           HB2      ARG   8 -12.808  11.455 -11.308
   58    HB3  ARG   8           HB3      ARG   8 -13.664  12.446 -12.475
   59    HG2  ARG   8           HG2      ARG   8 -13.141  10.964 -14.295
   60    HG3  ARG   8           HG3      ARG   8 -12.136   9.954 -13.230
   61    HD2  ARG   8           HD2      ARG   8 -15.076  10.463 -12.663
   62    HD3  ARG   8           HD3      ARG   8 -14.559   9.164 -13.742
   63    HE   ARG   8           HE       ARG   8 -13.007   8.828 -11.450
   64   HH11  ARG   8          HH11      ARG   8 -16.571   9.074 -11.786
   65   HH12  ARG   8          HH12      ARG   8 -16.806   7.673 -10.786
   66   HH21  ARG   8          HH21      ARG   8 -13.413   7.259 -10.049
   67   HH22  ARG   8          HH22      ARG   8 -15.090   6.770  -9.661
   68    H    VAL   9           H        VAL   9 -12.738  14.528 -13.691
   69    HA   VAL   9           HA       VAL   9 -11.934  16.619 -11.948
   70    HB   VAL   9           HB       VAL   9 -13.938  17.825 -12.791
   71   HG11  VAL   9          HG11      VAL   9 -11.773  17.869 -13.991
   72   HG12  VAL   9          HG12      VAL   9 -12.279  16.472 -14.966
   73   HG13  VAL   9          HG13      VAL   9 -13.150  18.013 -15.092
   74   HG21  VAL   9          HG21      VAL   9 -15.297  16.880 -14.591
   75   HG22  VAL   9          HG22      VAL   9 -14.497  15.307 -14.419
   76   HG23  VAL   9          HG23      VAL   9 -15.506  15.959 -13.101
   77    HA   PRO  10           HA       PRO  10 -13.512  15.225  -8.273
   78    HB2  PRO  10           HB2      PRO  10 -14.536  17.401  -6.879
   79    HB3  PRO  10           HB3      PRO  10 -12.803  17.054  -7.146
   80    HG2  PRO  10           HG2      PRO  10 -14.605  18.917  -8.709
   81    HG3  PRO  10           HG3      PRO  10 -12.909  19.203  -8.140
   82    HD2  PRO  10           HD2      PRO  10 -13.490  18.482 -10.692
   83    HD3  PRO  10           HD3      PRO  10 -12.024  17.892  -9.868
   84    H    GLU  11           H        GLU  11 -16.045  17.087  -9.975
   85    HA   GLU  11           HA       GLU  11 -18.198  15.828  -8.461
   86    HB2  GLU  11           HB2      GLU  11 -18.087  17.593 -10.923
   87    HB3  GLU  11           HB3      GLU  11 -19.603  16.935 -10.252
   88    HG2  GLU  11           HG2      GLU  11 -19.096  18.035  -8.076
   89    HG3  GLU  11           HG3      GLU  11 -17.619  18.717  -8.760
   90    H    GLN  12           H        GLN  12 -16.239  14.709 -11.101
   91    HA   GLN  12           HA       GLN  12 -18.365  12.833 -12.027
   92    HB2  GLN  12           HB2      GLN  12 -15.571  13.456 -13.051
   93    HB3  GLN  12           HB3      GLN  12 -16.467  12.041 -13.567
   94    HG2  GLN  12           HG2      GLN  12 -17.514  14.892 -13.867
   95    HG3  GLN  12           HG3      GLN  12 -16.625  14.020 -15.114
   96   HE21  GLN  12          HE22      GLN  12 -17.613  11.764 -15.727
   97   HE22  GLN  12          HE21      GLN  12 -19.353  11.717 -15.838
   98    H    TYR  13           H        TYR  13 -15.360  13.107 -10.120
   99    HA   TYR  13           HA       TYR  13 -14.920  10.360  -9.714
  100    HB2  TYR  13           HB2      TYR  13 -13.140  11.496  -8.983
  101    HB3  TYR  13           HB3      TYR  13 -14.061  12.891  -8.484
  102    HD1  TYR  13           HD1      TYR  13 -13.336   9.319  -7.360
  103    HD2  TYR  13           HD2      TYR  13 -14.258  13.398  -6.240
  104    HE1  TYR  13           HE1      TYR  13 -12.916   8.783  -5.003
  105    HE2  TYR  13           HE2      TYR  13 -13.964  12.810  -3.856
  106    HH   TYR  13           HH       TYR  13 -12.992   9.512  -2.796
  107    H    GLN  14           H        GLN  14 -16.813  12.664  -7.716
  108    HA   GLN  14           HA       GLN  14 -17.347  10.890  -5.637
  109    HB2  GLN  14           HB2      GLN  14 -18.850  13.334  -6.648
  110    HB3  GLN  14           HB3      GLN  14 -19.317  12.494  -5.165
  111    HG2  GLN  14           HG2      GLN  14 -17.230  12.960  -4.089
  112    HG3  GLN  14           HG3      GLN  14 -16.489  13.511  -5.586
  113   HE21  GLN  14          HE22      GLN  14 -16.883  15.587  -6.374
  114   HE22  GLN  14          HE21      GLN  14 -17.728  16.817  -5.440
  115    H    GLN  15           H        GLN  15 -18.925  10.944  -8.757
  116    HA   GLN  15           HA       GLN  15 -21.498  10.065  -7.963
  117    HB2  GLN  15           HB2      GLN  15 -19.987   9.817 -10.595
  118    HB3  GLN  15           HB3      GLN  15 -21.689   9.380 -10.389
  119    HG2  GLN  15           HG2      GLN  15 -22.268  11.677  -9.743
  120    HG3  GLN  15           HG3      GLN  15 -20.578  12.156  -9.764
  121   HE21  GLN  15          HE22      GLN  15 -20.486  13.622 -11.377
  122   HE22  GLN  15          HE21      GLN  15 -20.868  13.292 -13.057
  123    H    GLU  16           H        GLU  16 -18.542   8.167  -8.744
  124    HA   GLU  16           HA       GLU  16 -19.342   5.932  -7.206
  125    HB2  GLU  16           HB2      GLU  16 -20.910   5.536  -9.130
  126    HB3  GLU  16           HB3      GLU  16 -19.554   5.545 -10.247
  127    HG2  GLU  16           HG2      GLU  16 -18.779   3.469  -9.521
  128    HG3  GLU  16           HG3      GLU  16 -19.494   3.653  -7.904
  129    H    HIS  17           H        HIS  17 -17.326   4.827  -6.748
  130    HA   HIS  17           HA       HIS  17 -15.183   4.917  -8.742
  131    HB2  HIS  17           HB2      HIS  17 -13.652   6.183  -7.545
  132    HB3  HIS  17           HB3      HIS  17 -15.121   7.106  -7.330
  133    HD1  HIS  17           HD1      HIS  17 -16.375   5.685  -4.769
  134    HD2  HIS  17           HD2      HIS  17 -12.284   6.454  -5.434
  135    HE1  HIS  17           HE1      HIS  17 -15.287   5.854  -2.466
  136    H    VAL  18           H        VAL  18 -13.297   3.592  -8.062
  137    HA   VAL  18           HA       VAL  18 -14.145   1.129  -6.765
  138    HB   VAL  18           HB       VAL  18 -11.392   2.054  -7.710
  139   HG11  VAL  18          HG11      VAL  18 -11.279   0.150  -6.137
  140   HG12  VAL  18          HG12      VAL  18 -12.456  -0.744  -7.128
  141   HG13  VAL  18          HG13      VAL  18 -10.849  -0.345  -7.774
  142   HG21  VAL  18          HG21      VAL  18 -12.999   1.995  -9.617
  143   HG22  VAL  18          HG22      VAL  18 -11.810   0.705  -9.727
  144   HG23  VAL  18          HG23      VAL  18 -13.455   0.336  -9.168
  145    H    GLN  19           H        GLN  19 -14.095   0.840  -4.618
  146    HA   GLN  19           HA       GLN  19 -13.248   2.767  -2.714
  147    HB2  GLN  19           HB2      GLN  19 -13.613   1.038  -1.041
  148    HB3  GLN  19           HB3      GLN  19 -14.953   1.125  -2.163
  149    HG2  GLN  19           HG2      GLN  19 -12.749  -0.972  -2.301
  150    HG3  GLN  19           HG3      GLN  19 -14.287  -1.192  -1.476
  151   HE21  GLN  19          HE22      GLN  19 -12.697  -1.528  -4.506
  152   HE22  GLN  19          HE21      GLN  19 -14.135  -1.670  -5.519
  153    H    GLY  20           H        GLY  20 -11.537   2.530  -1.068
  154    HA2  GLY  20           HA2      GLY  20  -9.392   2.103  -0.364
  155    HA3  GLY  20           HA3      GLY  20  -9.275   0.778  -1.535
  156    H    ALA  21           H        ALA  21  -9.987   4.258  -2.110
  157    HA   ALA  21           HA       ALA  21  -7.450   4.650  -3.573
  158    HB1  ALA  21           HB1      ALA  21  -9.158   3.794  -5.215
  159    HB2  ALA  21           HB2      ALA  21 -10.228   5.136  -4.753
  160    HB3  ALA  21           HB3      ALA  21  -8.679   5.469  -5.548
  161    H    ILE  22           H        ILE  22  -7.445   6.984  -4.379
  162    HA   ILE  22           HA       ILE  22  -8.924   8.897  -2.662
  163    HB   ILE  22           HB       ILE  22  -6.578   8.636  -1.840
  164   HG12  ILE  22          HG12      ILE  22  -7.063  11.368  -3.093
  165   HG13  ILE  22          HG13      ILE  22  -7.820  10.776  -1.607
  166   HG21  ILE  22          HG21      ILE  22  -4.652   9.349  -3.151
  167   HG22  ILE  22          HG22      ILE  22  -5.492   8.084  -4.031
  168   HG23  ILE  22          HG23      ILE  22  -5.690   9.781  -4.521
  169   HD11  ILE  22          HD11      ILE  22  -4.855  11.309  -2.073
  170   HD12  ILE  22          HD12      ILE  22  -5.965  12.192  -1.016
  171   HD13  ILE  22          HD13      ILE  22  -5.512  10.522  -0.615
  172    H    ASN  23           H        ASN  23  -9.042  11.074  -3.926
  173    HA   ASN  23           HA       ASN  23  -8.704  10.675  -6.850
  174    HB2  ASN  23           HB2      ASN  23 -11.008  10.671  -6.735
  175    HB3  ASN  23           HB3      ASN  23 -11.064  11.852  -5.416
  176   HD21  ASN  23          HD22      ASN  23 -10.621  11.521  -9.000
  177   HD22  ASN  23          HD21      ASN  23 -10.801  13.227  -9.306
  178    H    ILE  24           H        ILE  24  -7.586  12.215  -7.820
  179    HA   ILE  24           HA       ILE  24  -7.075  14.793  -6.464
  180    HB   ILE  24           HB       ILE  24  -4.814  13.153  -7.669
  181   HG12  ILE  24          HG12      ILE  24  -5.422  13.491  -4.696
  182   HG13  ILE  24          HG13      ILE  24  -5.557  11.985  -5.605
  183   HG21  ILE  24          HG21      ILE  24  -3.437  14.930  -6.755
  184   HG22  ILE  24          HG22      ILE  24  -4.773  15.694  -7.630
  185   HG23  ILE  24          HG23      ILE  24  -4.822  15.612  -5.863
  186   HD11  ILE  24          HD11      ILE  24  -3.504  11.899  -4.428
  187   HD12  ILE  24          HD12      ILE  24  -3.108  12.118  -6.142
  188   HD13  ILE  24          HD13      ILE  24  -2.995  13.492  -5.015
  189    HA   PRO  25           HA       PRO  25  -8.860  14.851 -10.650
  190    HB2  PRO  25           HB2      PRO  25  -8.859  17.826 -10.082
  191    HB3  PRO  25           HB3      PRO  25 -10.139  16.825 -10.824
  192    HG2  PRO  25           HG2      PRO  25 -10.311  17.570  -8.215
  193    HG3  PRO  25           HG3      PRO  25 -10.734  15.894  -8.700
  194    HD2  PRO  25           HD2      PRO  25  -8.166  16.914  -7.470
  195    HD3  PRO  25           HD3      PRO  25  -9.084  15.439  -7.085
  196    H    LEU  26           H        LEU  26  -8.061  15.305 -12.753
  197    HA   LEU  26           HA       LEU  26  -5.373  15.905 -13.154
  198    HB2  LEU  26           HB2      LEU  26  -6.762  14.787 -14.770
  199    HB3  LEU  26           HB3      LEU  26  -7.756  16.230 -15.005
  200    HG   LEU  26           HG       LEU  26  -5.797  17.387 -16.036
  201   HD11  LEU  26          HD11      LEU  26  -3.932  16.147 -14.955
  202   HD12  LEU  26          HD12      LEU  26  -4.441  14.659 -15.789
  203   HD13  LEU  26          HD13      LEU  26  -3.821  16.041 -16.714
  204   HD21  LEU  26          HD21      LEU  26  -7.470  16.115 -17.395
  205   HD22  LEU  26          HD22      LEU  26  -5.867  16.170 -18.137
  206   HD23  LEU  26          HD23      LEU  26  -6.407  14.694 -17.312
  207    H    LYS  27           H        LYS  27  -8.035  18.227 -12.788
  208    HA   LYS  27           HA       LYS  27  -6.589  20.533 -13.681
  209    HB2  LYS  27           HB2      LYS  27  -9.079  20.273 -13.536
  210    HB3  LYS  27           HB3      LYS  27  -8.961  20.233 -11.779
  211    HG2  LYS  27           HG2      LYS  27  -9.733  22.381 -12.557
  212    HG3  LYS  27           HG3      LYS  27  -8.176  22.558 -11.752
  213    HD2  LYS  27           HD2      LYS  27  -7.039  22.744 -13.944
  214    HD3  LYS  27           HD3      LYS  27  -8.584  22.457 -14.779
  215    HE2  LYS  27           HE2      LYS  27  -9.515  24.511 -13.727
  216    HE3  LYS  27           HE3      LYS  27  -7.976  24.789 -12.901
  217    HZ1  LYS  27           HZ1      LYS  27  -8.155  26.108 -14.911
  218    HZ2  LYS  27           HZ2      LYS  27  -6.931  25.048 -15.077
  219    HZ3  LYS  27           HZ3      LYS  27  -8.355  24.787 -15.841
  220    H    GLU  28           H        GLU  28  -6.418  18.686 -10.715
  221    HA   GLU  28           HA       GLU  28  -5.269  20.978  -9.178
  222    HB2  GLU  28           HB2      GLU  28  -6.679  18.429  -8.287
  223    HB3  GLU  28           HB3      GLU  28  -6.053  19.662  -7.207
  224    HG2  GLU  28           HG2      GLU  28  -8.319  20.089  -9.217
  225    HG3  GLU  28           HG3      GLU  28  -8.532  19.737  -7.519
  226    H    VAL  29           H        VAL  29  -4.696  17.685 -10.315
  227    HA   VAL  29           HA       VAL  29  -3.047  16.687  -8.411
  228    HB   VAL  29           HB       VAL  29  -4.104  15.497 -10.294
  229   HG11  VAL  29          HG11      VAL  29  -1.764  16.432 -11.997
  230   HG12  VAL  29          HG12      VAL  29  -3.059  15.317 -12.477
  231   HG13  VAL  29          HG13      VAL  29  -3.430  17.016 -12.154
  232   HG21  VAL  29          HG21      VAL  29  -1.150  14.868 -10.133
  233   HG22  VAL  29          HG22      VAL  29  -2.390  14.352  -8.957
  234   HG23  VAL  29          HG23      VAL  29  -2.457  13.774 -10.626
  235    H    LYS  30           H        LYS  30  -1.962  18.937 -10.931
  236    HA   LYS  30           HA       LYS  30   0.829  18.531 -10.575
  237    HB2  LYS  30           HB2      LYS  30  -0.711  21.015 -11.448
  238    HB3  LYS  30           HB3      LYS  30   1.042  20.818 -11.579
  239    HG2  LYS  30           HG2      LYS  30   0.712  18.799 -13.001
  240    HG3  LYS  30           HG3      LYS  30  -1.034  19.070 -12.978
  241    HD2  LYS  30           HD2      LYS  30   1.043  21.012 -14.082
  242    HD3  LYS  30           HD3      LYS  30   0.065  19.894 -15.044
  243    HE2  LYS  30           HE2      LYS  30  -2.011  21.008 -14.239
  244    HE3  LYS  30           HE3      LYS  30  -1.035  22.149 -13.304
  245    HZ1  LYS  30           HZ1      LYS  30  -0.978  21.883 -16.255
  246    HZ2  LYS  30           HZ2      LYS  30  -1.691  23.087 -15.423
  247    HZ3  LYS  30           HZ3      LYS  30  -0.071  22.933 -15.389
  248    H    GLU  31           H        GLU  31  -1.440  20.042  -8.413
  249    HA   GLU  31           HA       GLU  31   0.766  21.382  -6.911
  250    HB2  GLU  31           HB2      GLU  31  -2.256  21.787  -6.843
  251    HB3  GLU  31           HB3      GLU  31  -1.077  22.661  -5.864
  252    HG2  GLU  31           HG2      GLU  31   0.004  23.514  -7.966
  253    HG3  GLU  31           HG3      GLU  31  -1.290  22.765  -8.904
  254    H    ARG  32           H        ARG  32  -0.671  18.398  -6.920
  255    HA   ARG  32           HA       ARG  32  -0.717  18.246  -3.942
  256    HB2  ARG  32           HB2      ARG  32  -3.040  18.660  -5.317
  257    HB3  ARG  32           HB3      ARG  32  -2.905  16.925  -5.516
  258    HG2  ARG  32           HG2      ARG  32  -4.179  17.048  -3.609
  259    HG3  ARG  32           HG3      ARG  32  -2.579  16.914  -2.883
  260    HD2  ARG  32           HD2      ARG  32  -4.264  19.426  -3.268
  261    HD3  ARG  32           HD3      ARG  32  -3.877  18.635  -1.741
  262    HE   ARG  32           HE       ARG  32  -1.867  19.961  -3.533
  263   HH11  ARG  32          HH11      ARG  32  -2.955  19.363  -0.195
  264   HH12  ARG  32          HH12      ARG  32  -1.627  20.212   0.505
  265   HH21  ARG  32          HH21      ARG  32  -0.171  20.968  -2.670
  266   HH22  ARG  32          HH22      ARG  32   0.016  21.201  -0.955
  267    H    ILE  33           H        ILE  33  -0.091  16.509  -6.969
  268    HA   ILE  33           HA       ILE  33  -0.174  13.952  -5.793
  269    HB   ILE  33           HB       ILE  33  -0.154  14.355  -8.183
  270   HG12  ILE  33          HG12      ILE  33   1.326  12.520  -8.901
  271   HG13  ILE  33          HG13      ILE  33   2.125  12.536  -7.336
  272   HG21  ILE  33          HG21      ILE  33   2.836  14.888  -8.094
  273   HG22  ILE  33          HG22      ILE  33   1.748  14.949  -9.497
  274   HG23  ILE  33          HG23      ILE  33   1.616  16.170  -8.250
  275   HD11  ILE  33          HD11      ILE  33  -0.839  11.958  -7.773
  276   HD12  ILE  33          HD12      ILE  33   0.428  10.730  -7.583
  277   HD13  ILE  33          HD13      ILE  33   0.051  11.809  -6.235
  278    H    ALA  34           H        ALA  34   2.450  16.375  -5.787
  279    HA   ALA  34           HA       ALA  34   4.482  14.718  -4.737
  280    HB1  ALA  34           HB1      ALA  34   4.019  17.706  -4.310
  281    HB2  ALA  34           HB2      ALA  34   5.537  16.830  -4.025
  282    HB3  ALA  34           HB3      ALA  34   4.894  16.962  -5.673
  283    H    THR  35           H        THR  35   1.892  16.578  -3.011
  284    HA   THR  35           HA       THR  35   2.906  15.846  -0.403
  285    HB   THR  35           HB       THR  35   0.450  16.687   0.165
  286    HG1  THR  35           HG1      THR  35  -0.244  16.700  -2.056
  287   HG21  THR  35          HG21      THR  35   1.257  19.013   0.066
  288   HG22  THR  35          HG22      THR  35   2.527  17.932   0.659
  289   HG23  THR  35          HG23      THR  35   2.582  18.525  -1.017
  290    H    ALA  36           H        ALA  36   0.433  14.491  -2.638
  291    HA   ALA  36           HA       ALA  36  -0.645  12.679  -0.681
  292    HB1  ALA  36           HB1      ALA  36  -1.792  11.690  -2.621
  293    HB2  ALA  36           HB2      ALA  36  -1.910  13.462  -2.646
  294    HB3  ALA  36           HB3      ALA  36  -0.767  12.629  -3.728
  295    H    VAL  37           H        VAL  37   1.853  12.360  -3.226
  296    HA   VAL  37           HA       VAL  37   2.694   9.730  -2.152
  297    HB   VAL  37           HB       VAL  37   2.241  10.293  -5.115
  298   HG11  VAL  37          HG11      VAL  37   2.631   7.869  -5.345
  299   HG12  VAL  37          HG12      VAL  37   4.029   8.636  -4.589
  300   HG13  VAL  37          HG13      VAL  37   2.882   7.717  -3.594
  301   HG21  VAL  37          HG21      VAL  37   0.023  10.108  -4.120
  302   HG22  VAL  37          HG22      VAL  37   0.401   8.635  -5.004
  303   HG23  VAL  37          HG23      VAL  37   0.506   8.644  -3.230
  304    HA   PRO  38           HA       PRO  38   6.069  12.819  -2.835
  305    HB2  PRO  38           HB2      PRO  38   7.601  12.248  -0.620
  306    HB3  PRO  38           HB3      PRO  38   6.182  13.336  -0.595
  307    HG2  PRO  38           HG2      PRO  38   6.301  10.408   0.177
  308    HG3  PRO  38           HG3      PRO  38   5.539  11.762   1.072
  309    HD2  PRO  38           HD2      PRO  38   4.096  10.092  -0.525
  310    HD3  PRO  38           HD3      PRO  38   3.708  11.836  -0.418
  311    H    ASP  39           H        ASP  39   6.152   9.322  -2.250
  312    HA   ASP  39           HA       ASP  39   8.917   9.032  -3.182
  313    HB2  ASP  39           HB2      ASP  39   8.152   7.563  -1.425
  314    HB3  ASP  39           HB3      ASP  39   6.793   7.006  -2.413
  315    H    LYS  40           H        LYS  40   9.155   9.509  -5.325
  316    HA   LYS  40           HA       LYS  40   7.157   9.034  -7.296
  317    HB2  LYS  40           HB2      LYS  40  10.145   9.533  -7.625
  318    HB3  LYS  40           HB3      LYS  40   8.958   9.561  -8.932
  319    HG2  LYS  40           HG2      LYS  40   7.699  11.367  -7.733
  320    HG3  LYS  40           HG3      LYS  40   8.974  11.408  -6.503
  321    HD2  LYS  40           HD2      LYS  40  10.631  11.990  -8.283
  322    HD3  LYS  40           HD3      LYS  40   9.301  12.029  -9.467
  323    HE2  LYS  40           HE2      LYS  40   8.159  13.777  -8.112
  324    HE3  LYS  40           HE3      LYS  40   9.490  13.746  -6.948
  325    HZ1  LYS  40           HZ1      LYS  40  10.966  14.498  -8.738
  326    HZ2  LYS  40           HZ2      LYS  40   9.706  14.544  -9.794
  327    HZ3  LYS  40           HZ3      LYS  40   9.747  15.557  -8.510
  328    H    ASN  41           H        ASN  41   9.249   6.721  -5.817
  329    HA   ASN  41           HA       ASN  41   9.415   4.906  -8.088
  330    HB2  ASN  41           HB2      ASN  41  11.017   4.818  -6.205
  331    HB3  ASN  41           HB3      ASN  41   9.699   4.417  -5.105
  332   HD21  ASN  41          HD22      ASN  41   9.369   2.255  -4.700
  333   HD22  ASN  41          HD21      ASN  41   9.928   0.964  -5.730
  334    H    ASP  42           H        ASP  42   6.835   5.840  -5.906
  335    HA   ASP  42           HA       ASP  42   5.557   3.337  -5.545
  336    HB2  ASP  42           HB2      ASP  42   5.071   5.415  -4.262
  337    HB3  ASP  42           HB3      ASP  42   4.274   6.077  -5.703
  338    H    THR  43           H        THR  43   3.929   2.297  -6.614
  339    HA   THR  43           HA       THR  43   3.733   2.802  -9.486
  340    HB   THR  43           HB       THR  43   2.379   0.565  -7.973
  341    HG1  THR  43           HG1      THR  43   4.416   0.372  -7.340
  342   HG21  THR  43          HG21      THR  43   2.666  -0.654 -10.080
  343   HG22  THR  43          HG22      THR  43   1.790   0.859 -10.364
  344   HG23  THR  43          HG23      THR  43   3.509   0.739 -10.798
  345    H    VAL  44           H        VAL  44   2.598   4.836  -9.327
  346    HA   VAL  44           HA       VAL  44   0.050   5.037  -8.035
  347    HB   VAL  44           HB       VAL  44   0.933   6.815 -10.328
  348   HG11  VAL  44          HG11      VAL  44  -0.532   7.450  -7.740
  349   HG12  VAL  44          HG12      VAL  44  -0.314   8.514  -9.144
  350   HG13  VAL  44          HG13      VAL  44  -1.347   7.082  -9.274
  351   HG21  VAL  44          HG21      VAL  44   2.923   6.774  -8.946
  352   HG22  VAL  44          HG22      VAL  44   2.063   8.276  -8.622
  353   HG23  VAL  44          HG23      VAL  44   1.954   6.931  -7.463
  354    H    LYS  45           H        LYS  45  -1.499   3.567  -8.646
  355    HA   LYS  45           HA       LYS  45  -2.003   2.918 -11.484
  356    HB2  LYS  45           HB2      LYS  45  -3.522   2.269  -8.903
  357    HB3  LYS  45           HB3      LYS  45  -3.981   1.715 -10.517
  358    HG2  LYS  45           HG2      LYS  45  -1.801   0.533 -10.735
  359    HG3  LYS  45           HG3      LYS  45  -1.357   1.055  -9.098
  360    HD2  LYS  45           HD2      LYS  45  -3.297  -0.165  -8.168
  361    HD3  LYS  45           HD3      LYS  45  -3.754  -0.690  -9.807
  362    HE2  LYS  45           HE2      LYS  45  -1.530  -1.806 -10.043
  363    HE3  LYS  45           HE3      LYS  45  -1.117  -1.319  -8.395
  364    HZ1  LYS  45           HZ1      LYS  45  -2.972  -2.686  -7.605
  365    HZ2  LYS  45           HZ2      LYS  45  -3.344  -3.133  -9.137
  366    HZ3  LYS  45           HZ3      LYS  45  -1.931  -3.590  -8.473
  367    H    VAL  46           H        VAL  46  -3.349   4.171 -12.746
  368    HA   VAL  46           HA       VAL  46  -5.132   6.107 -11.353
  369    HB   VAL  46           HB       VAL  46  -4.581   7.744 -13.122
  370   HG11  VAL  46          HG11      VAL  46  -2.489   8.516 -12.158
  371   HG12  VAL  46          HG12      VAL  46  -3.514   7.848 -10.881
  372   HG13  VAL  46          HG13      VAL  46  -2.146   6.903 -11.506
  373   HG21  VAL  46          HG21      VAL  46  -2.558   7.597 -14.450
  374   HG22  VAL  46          HG22      VAL  46  -2.184   5.995 -13.796
  375   HG23  VAL  46          HG23      VAL  46  -3.592   6.226 -14.852
  376    H    TYR  47           H        TYR  47  -7.178   6.393 -12.184
  377    HA   TYR  47           HA       TYR  47  -7.909   5.284 -14.773
  378    HB2  TYR  47           HB2      TYR  47  -9.492   3.708 -14.003
  379    HB3  TYR  47           HB3      TYR  47  -8.015   3.315 -13.144
  380    HD1  TYR  47           HD1      TYR  47  -7.780   4.239 -10.695
  381    HD2  TYR  47           HD2      TYR  47 -11.517   4.139 -12.855
  382    HE1  TYR  47           HE1      TYR  47  -9.011   4.554  -8.570
  383    HE2  TYR  47           HE2      TYR  47 -12.751   4.454 -10.735
  384    HH   TYR  47           HH       TYR  47 -11.095   4.810  -7.574
  385    H    CYS  48           H        CYS  48 -10.050   6.018 -15.373
  386    HA   CYS  48           HA       CYS  48 -11.493   7.930 -13.715
  387    HB2  CYS  48           HB2      CYS  48 -10.170   8.787 -16.353
  388    HB3  CYS  48           HB3      CYS  48 -11.270   9.790 -15.393
  389    HG   CYS  48           HG       CYS  48  -8.336   8.571 -14.625
  390    H    ASN  49           H        ASN  49 -13.146   9.054 -15.542
  391    HA   ASN  49           HA       ASN  49 -14.720   6.938 -16.732
  392    HB2  ASN  49           HB2      ASN  49 -15.759   9.088 -16.077
  393    HB3  ASN  49           HB3      ASN  49 -14.691   9.964 -17.190
  394   HD21  ASN  49          HD22      ASN  49 -17.130   7.258 -17.165
  395   HD22  ASN  49          HD21      ASN  49 -17.739   7.602 -18.759
  396    H    ALA  50           H        ALA  50 -14.347   5.969 -18.653
  397    HA   ALA  50           HA       ALA  50 -13.162   5.170 -20.367
  398    HB1  ALA  50           HB1      ALA  50 -13.232   8.070 -21.275
  399    HB2  ALA  50           HB2      ALA  50 -12.952   6.656 -22.316
  400    HB3  ALA  50           HB3      ALA  50 -14.517   6.866 -21.509
  401    H    GLY  51           H        GLY  51 -11.502   6.283 -18.019
  402    HA2  GLY  51           HA2      GLY  51  -9.341   6.514 -17.431
  403    HA3  GLY  51           HA3      GLY  51  -8.903   5.719 -18.941
  404    H    ARG  52           H        ARG  52 -10.612   8.780 -19.487
  405    HA   ARG  52           HA       ARG  52  -8.182   9.653 -20.856
  406    HB2  ARG  52           HB2      ARG  52 -10.769  11.196 -20.391
  407    HB3  ARG  52           HB3      ARG  52  -9.452  11.679 -21.452
  408    HG2  ARG  52           HG2      ARG  52 -11.344   9.336 -21.841
  409    HG3  ARG  52           HG3      ARG  52 -11.236  10.820 -22.776
  410    HD2  ARG  52           HD2      ARG  52 -10.158   9.323 -24.171
  411    HD3  ARG  52           HD3      ARG  52  -8.792  10.061 -23.321
  412    HE   ARG  52           HE       ARG  52 -10.021   7.574 -22.239
  413   HH11  ARG  52          HH11      ARG  52  -7.220   8.921 -23.970
  414   HH12  ARG  52          HH12      ARG  52  -6.219   7.553 -23.654
  415   HH21  ARG  52          HH21      ARG  52  -8.779   5.833 -21.848
  416   HH22  ARG  52          HH22      ARG  52  -7.138   5.709 -22.406
  417    H    GLN  53           H        GLN  53  -9.633  10.923 -17.851
  418    HA   GLN  53           HA       GLN  53  -7.640  13.007 -17.811
  419    HB2  GLN  53           HB2      GLN  53  -9.304  11.941 -15.499
  420    HB3  GLN  53           HB3      GLN  53  -8.213  13.299 -15.429
  421    HG2  GLN  53           HG2      GLN  53 -10.248  14.340 -15.660
  422    HG3  GLN  53           HG3      GLN  53  -9.674  14.300 -17.344
  423   HE21  GLN  53          HE22      GLN  53 -10.798  12.840 -18.840
  424   HE22  GLN  53          HE21      GLN  53 -12.287  12.042 -18.388
  425    H    SER  54           H        SER  54  -7.688   9.634 -16.717
  426    HA   SER  54           HA       SER  54  -5.237   9.826 -15.206
  427    HB2  SER  54           HB2      SER  54  -5.468   7.190 -15.598
  428    HB3  SER  54           HB3      SER  54  -6.449   8.082 -14.437
  429    HG   SER  54           HG       SER  54  -7.198   7.205 -17.016
  430    H    GLY  55           H        GLY  55  -5.993   8.717 -18.570
  431    HA2  GLY  55           HA2      GLY  55  -3.321   7.960 -19.237
  432    HA3  GLY  55           HA3      GLY  55  -4.604   8.450 -20.366
  433    H    GLN  56           H        GLN  56  -5.139  11.051 -19.519
  434    HA   GLN  56           HA       GLN  56  -3.067  12.663 -20.561
  435    HB2  GLN  56           HB2      GLN  56  -5.612  13.078 -18.992
  436    HB3  GLN  56           HB3      GLN  56  -4.469  14.433 -19.110
  437    HG2  GLN  56           HG2      GLN  56  -4.499  14.330 -21.548
  438    HG3  GLN  56           HG3      GLN  56  -5.503  12.875 -21.513
  439   HE21  GLN  56          HE22      GLN  56  -7.650  13.071 -20.465
  440   HE22  GLN  56          HE21      GLN  56  -8.548  14.579 -20.662
  441    H    ALA  57           H        ALA  57  -3.878  11.922 -17.099
  442    HA   ALA  57           HA       ALA  57  -1.759  13.464 -16.041
  443    HB1  ALA  57           HB1      ALA  57  -3.687  12.719 -14.747
  444    HB2  ALA  57           HB2      ALA  57  -3.122  11.031 -14.825
  445    HB3  ALA  57           HB3      ALA  57  -2.167  12.254 -13.959
  446    H    LYS  58           H        LYS  58  -1.759  10.041 -17.178
  447    HA   LYS  58           HA       LYS  58   0.682   9.274 -16.029
  448    HB2  LYS  58           HB2      LYS  58  -0.916   7.786 -17.252
  449    HB3  LYS  58           HB3      LYS  58  -0.358   8.480 -18.783
  450    HG2  LYS  58           HG2      LYS  58   1.930   7.645 -18.338
  451    HG3  LYS  58           HG3      LYS  58   1.395   6.983 -16.782
  452    HD2  LYS  58           HD2      LYS  58  -0.149   5.446 -17.940
  453    HD3  LYS  58           HD3      LYS  58   0.291   6.164 -19.506
  454    HE2  LYS  58           HE2      LYS  58   2.667   5.483 -19.123
  455    HE3  LYS  58           HE3      LYS  58   2.190   4.697 -17.614
  456    HZ1  LYS  58           HZ1      LYS  58   1.180   3.941 -20.300
  457    HZ2  LYS  58           HZ2      LYS  58   2.336   3.144 -19.475
  458    HZ3  LYS  58           HZ3      LYS  58   0.813   3.170 -18.891
  459    H    GLU  59           H        GLU  59   0.131  11.274 -18.941
  460    HA   GLU  59           HA       GLU  59   2.867  11.316 -19.778
  461    HB2  GLU  59           HB2      GLU  59   0.644  13.351 -20.245
  462    HB3  GLU  59           HB3      GLU  59   2.211  13.331 -21.058
  463    HG2  GLU  59           HG2      GLU  59   1.703  11.040 -21.934
  464    HG3  GLU  59           HG3      GLU  59   0.095  11.142 -21.216
  465    H    ILE  60           H        ILE  60   0.975  13.815 -17.804
  466    HA   ILE  60           HA       ILE  60   3.321  15.380 -17.506
  467    HB   ILE  60           HB       ILE  60   2.077  16.730 -16.031
  468   HG12  ILE  60          HG12      ILE  60   0.198  14.396 -15.657
  469   HG13  ILE  60          HG13      ILE  60   1.201  15.176 -14.433
  470   HG21  ILE  60          HG21      ILE  60   1.435  16.685 -18.468
  471   HG22  ILE  60          HG22      ILE  60   0.038  15.673 -18.031
  472   HG23  ILE  60          HG23      ILE  60   0.192  17.320 -17.390
  473   HD11  ILE  60          HD11      ILE  60  -0.196  17.228 -14.688
  474   HD12  ILE  60          HD12      ILE  60  -1.262  16.288 -15.780
  475   HD13  ILE  60          HD13      ILE  60  -1.053  15.793 -14.086
  476    H    LEU  61           H        LEU  61   1.985  12.712 -15.536
  477    HA   LEU  61           HA       LEU  61   3.683  13.300 -13.282
  478    HB2  LEU  61           HB2      LEU  61   2.112  10.814 -14.036
  479    HB3  LEU  61           HB3      LEU  61   2.989  11.030 -12.513
  480    HG   LEU  61           HG       LEU  61   0.615  12.710 -13.423
  481   HD11  LEU  61          HD11      LEU  61   0.026  10.417 -12.727
  482   HD12  LEU  61          HD12      LEU  61   0.902  10.648 -11.197
  483   HD13  LEU  61          HD13      LEU  61  -0.548  11.613 -11.558
  484   HD21  LEU  61          HD21      LEU  61   0.713  13.612 -11.096
  485   HD22  LEU  61          HD22      LEU  61   2.333  12.882 -10.931
  486   HD23  LEU  61          HD23      LEU  61   2.026  14.155 -12.135
  487    H    SER  62           H        SER  62   4.052  11.132 -16.143
  488    HA   SER  62           HA       SER  62   6.486   9.984 -15.091
  489    HB2  SER  62           HB2      SER  62   6.908   9.329 -17.479
  490    HB3  SER  62           HB3      SER  62   5.428   8.710 -16.736
  491    HG   SER  62           HG       SER  62   4.217  10.134 -17.870
  492    H    GLU  63           H        GLU  63   5.770  12.930 -17.049
  493    HA   GLU  63           HA       GLU  63   8.525  13.676 -17.354
  494    HB2  GLU  63           HB2      GLU  63   5.946  15.292 -17.387
  495    HB3  GLU  63           HB3      GLU  63   7.541  16.011 -17.625
  496    HG2  GLU  63           HG2      GLU  63   7.956  14.442 -19.523
  497    HG3  GLU  63           HG3      GLU  63   6.314  13.827 -19.360
  498    H    MET  64           H        MET  64   6.159  14.299 -14.716
  499    HA   MET  64           HA       MET  64   7.916  15.902 -13.106
  500    HB2  MET  64           HB2      MET  64   5.511  14.169 -12.449
  501    HB3  MET  64           HB3      MET  64   6.371  15.074 -11.221
  502    HG2  MET  64           HG2      MET  64   5.268  16.420 -13.703
  503    HG3  MET  64           HG3      MET  64   4.280  16.148 -12.274
  504    HE1  MET  64           HE1      MET  64   5.866  16.788  -9.733
  505    HE2  MET  64           HE2      MET  64   5.636  18.544  -9.611
  506    HE3  MET  64           HE3      MET  64   4.294  17.510 -10.147
  507    H    GLY  65           H        GLY  65   8.010  12.515 -13.858
  508    HA2  GLY  65           HA2      GLY  65  10.088  11.441 -13.506
  509    HA3  GLY  65           HA3      GLY  65  10.254  12.209 -11.926
  510    H    TYR  66           H        TYR  66   7.025  11.057 -12.361
  511    HA   TYR  66           HA       TYR  66   7.490   8.799 -10.536
  512    HB2  TYR  66           HB2      TYR  66   4.967   9.775 -11.914
  513    HB3  TYR  66           HB3      TYR  66   5.087   8.398 -10.814
  514    HD1  TYR  66           HD2      TYR  66   5.500  12.126 -10.991
  515    HD2  TYR  66           HD1      TYR  66   4.967   8.664  -8.471
  516    HE1  TYR  66           HE2      TYR  66   5.179  13.609  -9.031
  517    HE2  TYR  66           HE1      TYR  66   4.647  10.131  -6.515
  518    HH   TYR  66           HH       TYR  66   4.608  12.291  -5.732
  519    H    THR  67           H        THR  67   8.836   7.409 -11.699
  520    HA   THR  67           HA       THR  67   8.393   6.799 -14.439
  521    HB   THR  67           HB       THR  67  10.292   5.058 -13.749
  522    HG1  THR  67           HG1      THR  67  10.244   5.136 -11.552
  523   HG21  THR  67          HG21      THR  67  11.933   6.894 -13.843
  524   HG22  THR  67          HG22      THR  67  10.643   7.154 -15.027
  525   HG23  THR  67          HG23      THR  67  10.654   8.083 -13.510
  526    H    HIS  68           H        HIS  68   6.360   5.792 -12.087
  527    HA   HIS  68           HA       HIS  68   5.906   3.146 -13.331
  528    HB2  HIS  68           HB2      HIS  68   5.832   3.575 -10.322
  529    HB3  HIS  68           HB3      HIS  68   5.821   2.042 -11.186
  530    HD1  HIS  68           HD1      HIS  68   8.292   1.090 -11.863
  531    HD2  HIS  68           HD2      HIS  68   8.147   4.923 -10.127
  532    HE1  HIS  68           HE1      HIS  68  10.704   1.738 -11.363
  533    H    VAL  69           H        VAL  69   4.497   5.648 -13.624
  534    HA   VAL  69           HA       VAL  69   1.899   5.235 -12.284
  535    HB   VAL  69           HB       VAL  69   2.587   7.048 -14.640
  536   HG11  VAL  69          HG11      VAL  69   0.166   6.617 -14.483
  537   HG12  VAL  69          HG12      VAL  69   0.185   7.015 -12.751
  538   HG13  VAL  69          HG13      VAL  69   0.516   8.266 -13.962
  539   HG21  VAL  69          HG21      VAL  69   2.538   8.862 -12.909
  540   HG22  VAL  69          HG22      VAL  69   2.533   7.622 -11.647
  541   HG23  VAL  69          HG23      VAL  69   3.902   7.766 -12.764
  542    H    GLU  70           H        GLU  70   0.154   4.100 -13.267
  543    HA   GLU  70           HA       GLU  70   0.448   3.380 -16.083
  544    HB2  GLU  70           HB2      GLU  70   1.474   1.449 -14.909
  545    HB3  GLU  70           HB3      GLU  70   0.014   1.256 -13.936
  546    HG2  GLU  70           HG2      GLU  70   0.076  -0.376 -15.752
  547    HG3  GLU  70           HG3      GLU  70  -1.292   0.705 -15.956
  548    H    ASN  71           H        ASN  71  -1.498   3.175 -17.117
  549    HA   ASN  71           HA       ASN  71  -3.830   4.178 -15.629
  550    HB2  ASN  71           HB2      ASN  71  -3.577   5.211 -17.775
  551    HB3  ASN  71           HB3      ASN  71  -3.409   3.638 -18.579
  552   HD21  ASN  71          HD22      ASN  71  -5.826   4.745 -16.038
  553   HD22  ASN  71          HD21      ASN  71  -7.203   4.337 -17.031
  554    H    ALA  72           H        ALA  72  -4.780   2.658 -14.416
  555    HA   ALA  72           HA       ALA  72  -4.512  -0.156 -14.872
  556    HB1  ALA  72           HB1      ALA  72  -4.832   0.822 -12.637
  557    HB2  ALA  72           HB2      ALA  72  -6.452   1.398 -13.102
  558    HB3  ALA  72           HB3      ALA  72  -6.118  -0.344 -13.001
  559    H    GLY  73           H        GLY  73  -6.950   2.218 -15.914
  560    HA2  GLY  73           HA2      GLY  73  -8.087   0.945 -18.012
  561    HA3  GLY  73           HA3      GLY  73  -8.932   0.209 -16.638
  562    H    GLY  74           H        GLY  74 -10.921   1.190 -17.154
  563    HA2  GLY  74           HA2      GLY  74 -11.121   3.962 -16.176
  564    HA3  GLY  74           HA3      GLY  74 -11.994   3.527 -17.658
  565    H    LEU  75           H        LEU  75 -13.423   4.379 -15.520
  566    HA   LEU  75           HA       LEU  75 -13.988   2.790 -13.393
  567    HB2  LEU  75           HB2      LEU  75 -14.847   5.106 -13.847
  568    HB3  LEU  75           HB3      LEU  75 -16.045   4.424 -14.940
  569    HG   LEU  75           HG       LEU  75 -17.029   3.139 -12.953
  570   HD11  LEU  75          HD11      LEU  75 -15.091   3.086 -11.450
  571   HD12  LEU  75          HD12      LEU  75 -15.055   4.865 -11.402
  572   HD13  LEU  75          HD13      LEU  75 -16.418   3.978 -10.692
  573   HD21  LEU  75          HD21      LEU  75 -18.022   5.211 -13.746
  574   HD22  LEU  75          HD22      LEU  75 -18.080   5.154 -11.980
  575   HD23  LEU  75          HD23      LEU  75 -16.871   6.168 -12.797
  576    H    LYS  76           H        LYS  76 -15.681   2.476 -16.559
  577    HA   LYS  76           HA       LYS  76 -17.354   0.300 -15.539
  578    HB2  LYS  76           HB2      LYS  76 -16.973   1.425 -18.351
  579    HB3  LYS  76           HB3      LYS  76 -18.145   0.179 -17.907
  580    HG2  LYS  76           HG2      LYS  76 -19.222   1.746 -16.303
  581    HG3  LYS  76           HG3      LYS  76 -18.091   3.022 -16.796
  582    HD2  LYS  76           HD2      LYS  76 -18.934   2.878 -19.124
  583    HD3  LYS  76           HD3      LYS  76 -20.065   1.596 -18.635
  584    HE2  LYS  76           HE2      LYS  76 -21.133   3.160 -17.022
  585    HE3  LYS  76           HE3      LYS  76 -20.016   4.437 -17.517
  586    HZ1  LYS  76           HZ1      LYS  76 -22.137   4.630 -18.646
  587    HZ2  LYS  76           HZ2      LYS  76 -20.977   4.320 -19.745
  588    HZ3  LYS  76           HZ3      LYS  76 -22.010   3.138 -19.284
  589    H    ASP  77           H        ASP  77 -14.262   0.536 -17.216
  590    HA   ASP  77           HA       ASP  77 -14.361  -2.139 -18.369
  591    HB2  ASP  77           HB2      ASP  77 -13.072  -0.371 -19.449
  592    HB3  ASP  77           HB3      ASP  77 -12.099  -0.140 -17.994
  593    H    ILE  78           H        ILE  78 -12.954  -0.601 -15.466
  594    HA   ILE  78           HA       ILE  78 -11.466  -2.894 -14.568
  595    HB   ILE  78           HB       ILE  78 -12.485  -0.360 -13.220
  596   HG12  ILE  78          HG12      ILE  78  -9.644  -1.233 -13.950
  597   HG13  ILE  78          HG13      ILE  78 -10.655  -0.265 -15.015
  598   HG21  ILE  78          HG21      ILE  78 -10.963  -0.929 -11.309
  599   HG22  ILE  78          HG22      ILE  78 -12.310  -2.036 -11.459
  600   HG23  ILE  78          HG23      ILE  78 -10.690  -2.528 -12.024
  601   HD11  ILE  78          HD11      ILE  78  -9.680   0.595 -12.269
  602   HD12  ILE  78          HD12      ILE  78  -9.151   1.188 -13.847
  603   HD13  ILE  78          HD13      ILE  78 -10.809   1.511 -13.297
  604    H    ALA  79           H        ALA  79 -12.263  -4.745 -13.735
  605    HA   ALA  79           HA       ALA  79 -15.114  -5.101 -13.503
  606    HB1  ALA  79           HB1      ALA  79 -14.515  -7.462 -13.159
  607    HB2  ALA  79           HB2      ALA  79 -13.594  -6.781 -14.509
  608    HB3  ALA  79           HB3      ALA  79 -12.812  -7.020 -12.926
  609    H    MET  80           H        MET  80 -12.892  -3.984 -11.204
  610    HA   MET  80           HA       MET  80 -13.644  -5.388  -8.845
  611    HB2  MET  80           HB2      MET  80 -12.602  -2.540  -9.216
  612    HB3  MET  80           HB3      MET  80 -12.706  -3.372  -7.671
  613    HG2  MET  80           HG2      MET  80 -11.150  -5.112  -8.446
  614    HG3  MET  80           HG3      MET  80 -11.077  -4.366 -10.039
  615    HE1  MET  80           HE1      MET  80 -10.873  -2.762  -6.351
  616    HE2  MET  80           HE2      MET  80  -9.892  -4.246  -6.324
  617    HE3  MET  80           HE3      MET  80  -9.108  -2.655  -6.208
  618    HA   PRO  81           HA       PRO  81 -17.569  -3.374  -7.844
  619    HB2  PRO  81           HB2      PRO  81 -17.531  -3.334  -5.094
  620    HB3  PRO  81           HB3      PRO  81 -17.802  -4.816  -6.058
  621    HG2  PRO  81           HG2      PRO  81 -15.216  -3.850  -4.813
  622    HG3  PRO  81           HG3      PRO  81 -15.929  -5.491  -4.755
  623    HD2  PRO  81           HD2      PRO  81 -13.977  -4.818  -6.530
  624    HD3  PRO  81           HD3      PRO  81 -15.287  -5.948  -6.974
  625    H    LYS  82           H        LYS  82 -18.375  -1.396  -6.543
  626    HA   LYS  82           HA       LYS  82 -16.326   0.699  -6.192
  627    HB2  LYS  82           HB2      LYS  82 -18.744   0.959  -8.056
  628    HB3  LYS  82           HB3      LYS  82 -17.725   2.276  -7.520
  629    HG2  LYS  82           HG2      LYS  82 -16.719   1.975  -9.492
  630    HG3  LYS  82           HG3      LYS  82 -15.766   0.811  -8.576
  631    HD2  LYS  82           HD2      LYS  82 -17.344  -0.998  -9.379
  632    HD3  LYS  82           HD3      LYS  82 -18.199   0.223 -10.337
  633    HE2  LYS  82           HE2      LYS  82 -16.213   0.673 -11.664
  634    HE3  LYS  82           HE3      LYS  82 -15.215  -0.332 -10.597
  635    HZ1  LYS  82           HZ1      LYS  82 -15.805  -1.514 -12.600
  636    HZ2  LYS  82           HZ2      LYS  82 -16.419  -2.248 -11.279
  637    HZ3  LYS  82           HZ3      LYS  82 -17.412  -1.375 -12.280
  638    H    VAL  83           H        VAL  83 -17.271   2.652  -5.218
  639    HA   VAL  83           HA       VAL  83 -19.892   2.396  -3.907
  640    HB   VAL  83           HB       VAL  83 -18.985   3.176  -1.760
  641   HG11  VAL  83          HG11      VAL  83 -19.294   0.736  -2.126
  642   HG12  VAL  83          HG12      VAL  83 -17.579   0.603  -2.575
  643   HG13  VAL  83          HG13      VAL  83 -18.035   1.114  -0.941
  644   HG21  VAL  83          HG21      VAL  83 -16.956   4.314  -2.405
  645   HG22  VAL  83          HG22      VAL  83 -16.535   3.028  -1.276
  646   HG23  VAL  83          HG23      VAL  83 -16.227   2.819  -3.016
  647    H    LYS  84           H        LYS  84 -20.646   4.578  -3.192
  648    HA   LYS  84           HA       LYS  84 -19.907   6.701  -5.066
  649    HB2  LYS  84           HB2      LYS  84 -21.832   6.401  -2.740
  650    HB3  LYS  84           HB3      LYS  84 -21.418   8.005  -3.326
  651    HG2  LYS  84           HG2      LYS  84 -23.500   7.133  -4.320
  652    HG3  LYS  84           HG3      LYS  84 -22.280   7.604  -5.493
  653    HD2  LYS  84           HD2      LYS  84 -21.712   5.212  -5.887
  654    HD3  LYS  84           HD3      LYS  84 -22.918   4.736  -4.665
  655    HE2  LYS  84           HE2      LYS  84 -24.680   5.853  -6.055
  656    HE3  LYS  84           HE3      LYS  84 -23.448   6.254  -7.261
  657    HZ1  LYS  84           HZ1      LYS  84 -23.100   3.869  -7.623
  658    HZ2  LYS  84           HZ2      LYS  84 -24.221   3.501  -6.479
  659    HZ3  LYS  84           HZ3      LYS  84 -24.670   4.256  -7.849
  660    H    GLY  85           H        GLY  85 -19.049   8.767  -4.417
  661    HA2  GLY  85           HA2      GLY  85 -16.660   8.668  -2.874
  662    HA3  GLY  85           HA3      GLY  85 -17.499  10.128  -3.427
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1   5.171   0.603  -1.590
    2    H2   ALA   1           H2       ALA   1   5.322   0.811  -3.214
    3    H3   ALA   1           H3       ALA   1   4.303   1.777  -2.378
    4    HA   ALA   1           HA       ALA   1   4.015  -1.072  -2.957
    5    HB1  ALA   1           HB1      ALA   1   3.354  -0.723  -0.619
    6    HB2  ALA   1           HB2      ALA   1   2.274   0.605  -1.091
    7    HB3  ALA   1           HB3      ALA   1   1.941  -1.062  -1.624
    8    H    GLU   2           H        GLU   2   1.053   0.599  -2.847
    9    HA   GLU   2           HA       GLU   2   1.250   1.812  -5.475
   10    HB2  GLU   2           HB2      GLU   2  -0.577   0.556  -6.451
   11    HB3  GLU   2           HB3      GLU   2   0.667  -0.586  -5.948
   12    HG2  GLU   2           HG2      GLU   2  -0.709  -0.973  -3.818
   13    HG3  GLU   2           HG3      GLU   2  -1.986  -0.009  -4.564
   14    H    HIS   3           H        HIS   3  -0.683   3.137  -5.886
   15    HA   HIS   3           HA       HIS   3  -2.639   3.434  -3.700
   16    HB2  HIS   3           HB2      HIS   3  -0.891   5.693  -4.772
   17    HB3  HIS   3           HB3      HIS   3  -2.481   5.980  -4.076
   18    HD1  HIS   3           HD1      HIS   3  -2.760   5.236  -1.386
   19    HD2  HIS   3           HD2      HIS   3   1.099   5.524  -3.037
   20    HE1  HIS   3           HE1      HIS   3  -1.151   5.382   0.577
   21    H    TRP   4           H        TRP   4  -4.628   3.566  -4.600
   22    HA   TRP   4           HA       TRP   4  -4.890   3.810  -7.546
   23    HB2  TRP   4           HB2      TRP   4  -6.797   2.921  -5.338
   24    HB3  TRP   4           HB3      TRP   4  -7.311   3.231  -6.981
   25    HD1  TRP   4           HD1      TRP   4  -4.622   1.012  -5.256
   26    HE1  TRP   4           HE1      TRP   4  -4.302  -1.129  -6.571
   27    HE3  TRP   4           HE3      TRP   4  -7.980   1.916  -9.022
   28    HZ2  TRP   4           HZ2      TRP   4  -5.542  -2.426  -8.882
   29    HZ3  TRP   4           HZ3      TRP   4  -8.366   0.216 -10.779
   30    HH2  TRP   4           HH2      TRP   4  -7.156  -1.955 -10.722
   31    H    ILE   5           H        ILE   5  -5.119   5.826  -8.260
   32    HA   ILE   5           HA       ILE   5  -6.484   7.875  -6.570
   33    HB   ILE   5           HB       ILE   5  -3.967   7.970  -8.268
   34   HG12  ILE   5          HG12      ILE   5  -4.184   9.136  -5.479
   35   HG13  ILE   5          HG13      ILE   5  -4.093   7.384  -5.622
   36   HG21  ILE   5          HG21      ILE   5  -3.905  10.435  -7.785
   37   HG22  ILE   5          HG22      ILE   5  -5.215   9.968  -8.861
   38   HG23  ILE   5          HG23      ILE   5  -5.572  10.309  -7.164
   39   HD11  ILE   5          HD11      ILE   5  -1.992   7.500  -6.810
   40   HD12  ILE   5          HD12      ILE   5  -2.071   9.278  -6.856
   41   HD13  ILE   5          HD13      ILE   5  -1.889   8.435  -5.305
   42    H    ASP   6           H        ASP   6  -8.441   8.139  -7.508
   43    HA   ASP   6           HA       ASP   6  -8.891   7.845 -10.376
   44    HB2  ASP   6           HB2      ASP   6 -10.636   7.688  -8.442
   45    HB3  ASP   6           HB3      ASP   6 -10.612   9.444  -8.457
   46    H    VAL   7           H        VAL   7  -8.695   9.562 -11.884
   47    HA   VAL   7           HA       VAL   7  -7.805  12.208 -10.794
   48    HB   VAL   7           HB       VAL   7  -6.438  12.459 -12.829
   49   HG11  VAL   7          HG11      VAL   7  -4.596  11.017 -12.138
   50   HG12  VAL   7          HG12      VAL   7  -5.406  11.665 -10.710
   51   HG13  VAL   7          HG13      VAL   7  -5.699   9.989 -11.202
   52   HG21  VAL   7          HG21      VAL   7  -6.805   9.469 -13.264
   53   HG22  VAL   7          HG22      VAL   7  -7.653  10.701 -14.225
   54   HG23  VAL   7          HG23      VAL   7  -5.881  10.638 -14.224
   55    H    ARG   8           H        ARG   8 -10.536  10.894 -11.930
   56    HA   ARG   8           HA       ARG   8 -11.321  12.816 -13.939
   57    HB2  ARG   8           HB2      ARG   8 -13.431  11.988 -13.786
   58    HB3  ARG   8           HB3      ARG   8 -12.457  10.599 -13.329
   59    HG2  ARG   8           HG2      ARG   8 -12.989  11.120 -10.891
   60    HG3  ARG   8           HG3      ARG   8 -14.060  12.377 -11.484
   61    HD2  ARG   8           HD2      ARG   8 -15.480  10.498 -11.227
   62    HD3  ARG   8           HD3      ARG   8 -15.167  10.587 -12.968
   63    HE   ARG   8           HE       ARG   8 -13.284   8.926 -11.489
   64   HH11  ARG   8          HH11      ARG   8 -16.561   8.858 -12.914
   65   HH12  ARG   8          HH12      ARG   8 -16.716   7.155 -12.782
   66   HH21  ARG   8          HH21      ARG   8 -13.496   6.859 -11.233
   67   HH22  ARG   8          HH22      ARG   8 -14.853   5.905 -11.829
   68    H    VAL   9           H        VAL   9 -12.980  14.503 -13.559
   69    HA   VAL   9           HA       VAL   9 -11.898  16.421 -11.846
   70    HB   VAL   9           HB       VAL   9 -13.939  17.775 -12.414
   71   HG11  VAL   9          HG11      VAL   9 -11.919  17.749 -13.841
   72   HG12  VAL   9          HG12      VAL   9 -12.597  16.405 -14.785
   73   HG13  VAL   9          HG13      VAL   9 -13.399  17.986 -14.778
   74   HG21  VAL   9          HG21      VAL   9 -15.538  16.943 -14.057
   75   HG22  VAL   9          HG22      VAL   9 -14.797  15.333 -14.022
   76   HG23  VAL   9          HG23      VAL   9 -15.619  15.979 -12.580
   77    HA   PRO  10           HA       PRO  10 -13.294  15.205  -7.970
   78    HB2  PRO  10           HB2      PRO  10 -13.986  17.455  -6.526
   79    HB3  PRO  10           HB3      PRO  10 -12.313  17.031  -6.989
   80    HG2  PRO  10           HG2      PRO  10 -14.220  18.927  -8.392
   81    HG3  PRO  10           HG3      PRO  10 -12.492  19.198  -7.975
   82    HD2  PRO  10           HD2      PRO  10 -13.281  18.439 -10.456
   83    HD3  PRO  10           HD3      PRO  10 -11.769  17.816  -9.753
   84    H    GLU  11           H        GLU  11 -15.701  17.310  -9.540
   85    HA   GLU  11           HA       GLU  11 -17.929  16.536  -7.907
   86    HB2  GLU  11           HB2      GLU  11 -17.675  17.706 -10.701
   87    HB3  GLU  11           HB3      GLU  11 -19.234  17.421  -9.901
   88    HG2  GLU  11           HG2      GLU  11 -18.518  18.887  -8.015
   89    HG3  GLU  11           HG3      GLU  11 -16.999  19.216  -8.851
   90    H    GLN  12           H        GLN  12 -16.228  14.803 -10.472
   91    HA   GLN  12           HA       GLN  12 -18.603  13.136 -11.078
   92    HB2  GLN  12           HB2      GLN  12 -15.827  13.353 -12.320
   93    HB3  GLN  12           HB3      GLN  12 -16.915  11.992 -12.620
   94    HG2  GLN  12           HG2      GLN  12 -18.656  13.488 -13.466
   95    HG3  GLN  12           HG3      GLN  12 -17.638  14.892 -13.158
   96   HE21  GLN  12          HE22      GLN  12 -18.345  14.952 -15.649
   97   HE22  GLN  12          HE21      GLN  12 -17.165  14.280 -16.745
   98    H    TYR  13           H        TYR  13 -15.393  13.077  -9.448
   99    HA   TYR  13           HA       TYR  13 -15.375  10.309  -8.908
  100    HB2  TYR  13           HB2      TYR  13 -13.334  11.058  -8.380
  101    HB3  TYR  13           HB3      TYR  13 -13.891  12.683  -8.054
  102    HD1  TYR  13           HD1      TYR  13 -13.325   9.317  -6.485
  103    HD2  TYR  13           HD2      TYR  13 -14.277  13.490  -5.848
  104    HE1  TYR  13           HE1      TYR  13 -12.776   9.089  -4.097
  105    HE2  TYR  13           HE2      TYR  13 -13.827  13.229  -3.433
  106    HH   TYR  13           HH       TYR  13 -13.108  11.784  -1.745
  107    H    GLN  14           H        GLN  14 -16.895  12.999  -7.170
  108    HA   GLN  14           HA       GLN  14 -17.796  11.523  -4.908
  109    HB2  GLN  14           HB2      GLN  14 -18.739  14.081  -6.260
  110    HB3  GLN  14           HB3      GLN  14 -19.479  13.468  -4.776
  111    HG2  GLN  14           HG2      GLN  14 -17.424  13.638  -3.538
  112    HG3  GLN  14           HG3      GLN  14 -16.486  13.973  -4.989
  113   HE21  GLN  14          HE22      GLN  14 -16.539  16.034  -5.943
  114   HE22  GLN  14          HE21      GLN  14 -17.218  17.435  -5.120
  115    H    GLN  15           H        GLN  15 -18.955  11.409  -8.232
  116    HA   GLN  15           HA       GLN  15 -21.651  10.532  -7.456
  117    HB2  GLN  15           HB2      GLN  15 -20.333  10.231 -10.183
  118    HB3  GLN  15           HB3      GLN  15 -22.041  10.121  -9.780
  119    HG2  GLN  15           HG2      GLN  15 -20.286  12.582  -9.820
  120    HG3  GLN  15           HG3      GLN  15 -21.652  12.243 -10.858
  121   HE21  GLN  15          HE22      GLN  15 -20.784  14.298  -8.552
  122   HE22  GLN  15          HE21      GLN  15 -22.293  14.511  -7.674
  123    H    GLU  16           H        GLU  16 -18.673   9.013  -8.906
  124    HA   GLU  16           HA       GLU  16 -18.921   6.717  -7.240
  125    HB2  GLU  16           HB2      GLU  16 -19.268   5.024  -9.030
  126    HB3  GLU  16           HB3      GLU  16 -20.676   6.029  -8.760
  127    HG2  GLU  16           HG2      GLU  16 -19.989   7.416 -10.780
  128    HG3  GLU  16           HG3      GLU  16 -18.729   6.213 -11.085
  129    H    HIS  17           H        HIS  17 -17.111   5.275  -7.477
  130    HA   HIS  17           HA       HIS  17 -15.068   5.627  -9.440
  131    HB2  HIS  17           HB2      HIS  17 -13.280   6.452  -7.980
  132    HB3  HIS  17           HB3      HIS  17 -14.531   7.650  -8.190
  133    HD1  HIS  17           HD1      HIS  17 -16.161   8.065  -5.969
  134    HD2  HIS  17           HD2      HIS  17 -12.581   5.915  -5.555
  135    HE1  HIS  17           HE1      HIS  17 -15.747   7.856  -3.463
  136    H    VAL  18           H        VAL  18 -12.955   4.275  -8.386
  137    HA   VAL  18           HA       VAL  18 -14.118   1.631  -7.952
  138    HB   VAL  18           HB       VAL  18 -11.258   2.623  -8.208
  139   HG11  VAL  18          HG11      VAL  18 -12.209  -0.242  -7.965
  140   HG12  VAL  18          HG12      VAL  18 -10.587   0.265  -8.488
  141   HG13  VAL  18          HG13      VAL  18 -11.129   0.625  -6.854
  142   HG21  VAL  18          HG21      VAL  18 -12.707   2.648 -10.292
  143   HG22  VAL  18          HG22      VAL  18 -11.328   1.561 -10.395
  144   HG23  VAL  18          HG23      VAL  18 -12.955   0.908 -10.084
  145    H    GLN  19           H        GLN  19 -13.862   0.371  -6.083
  146    HA   GLN  19           HA       GLN  19 -14.123   1.751  -3.585
  147    HB2  GLN  19           HB2      GLN  19 -15.175  -0.435  -4.246
  148    HB3  GLN  19           HB3      GLN  19 -13.578  -1.188  -4.205
  149    HG2  GLN  19           HG2      GLN  19 -13.408  -0.744  -1.782
  150    HG3  GLN  19           HG3      GLN  19 -14.952   0.114  -1.813
  151   HE21  GLN  19          HE22      GLN  19 -13.397  -3.083  -1.961
  152   HE22  GLN  19          HE21      GLN  19 -14.865  -4.009  -1.787
  153    H    GLY  20           H        GLY  20 -12.637   1.921  -1.840
  154    HA2  GLY  20           HA2      GLY  20 -10.667   1.870  -0.691
  155    HA3  GLY  20           HA3      GLY  20 -10.204   0.470  -1.670
  156    H    ALA  21           H        ALA  21 -10.812   3.929  -2.496
  157    HA   ALA  21           HA       ALA  21  -8.049   4.257  -3.519
  158    HB1  ALA  21           HB1      ALA  21  -9.455   3.427  -5.406
  159    HB2  ALA  21           HB2      ALA  21 -10.597   4.759  -5.114
  160    HB3  ALA  21           HB3      ALA  21  -8.945   5.108  -5.657
  161    H    ILE  22           H        ILE  22  -7.934   6.632  -4.385
  162    HA   ILE  22           HA       ILE  22  -9.484   8.536  -2.713
  163    HB   ILE  22           HB       ILE  22  -7.179   8.040  -1.788
  164   HG12  ILE  22          HG12      ILE  22  -7.626  10.936  -2.610
  165   HG13  ILE  22          HG13      ILE  22  -8.398  10.109  -1.252
  166   HG21  ILE  22          HG21      ILE  22  -6.130   9.571  -4.201
  167   HG22  ILE  22          HG22      ILE  22  -5.186   8.867  -2.875
  168   HG23  ILE  22          HG23      ILE  22  -6.014   7.808  -4.000
  169   HD11  ILE  22          HD11      ILE  22  -6.095   9.703  -0.290
  170   HD12  ILE  22          HD12      ILE  22  -5.433  10.720  -1.596
  171   HD13  ILE  22          HD13      ILE  22  -6.556  11.412  -0.414
  172    H    ASN  23           H        ASN  23  -9.007  10.884  -3.842
  173    HA   ASN  23           HA       ASN  23  -8.774  10.544  -6.767
  174    HB2  ASN  23           HB2      ASN  23 -11.082  10.687  -6.567
  175    HB3  ASN  23           HB3      ASN  23 -11.013  11.892  -5.270
  176   HD21  ASN  23          HD22      ASN  23  -9.849  11.670  -8.751
  177   HD22  ASN  23          HD21      ASN  23 -10.609  13.186  -9.197
  178    H    ILE  24           H        ILE  24  -7.541  12.002  -7.692
  179    HA   ILE  24           HA       ILE  24  -6.921  14.557  -6.373
  180    HB   ILE  24           HB       ILE  24  -4.694  12.823  -7.501
  181   HG12  ILE  24          HG12      ILE  24  -5.313  13.254  -4.541
  182   HG13  ILE  24          HG13      ILE  24  -5.505  11.734  -5.401
  183   HG21  ILE  24          HG21      ILE  24  -3.271  14.574  -6.614
  184   HG22  ILE  24          HG22      ILE  24  -4.587  15.368  -7.500
  185   HG23  ILE  24          HG23      ILE  24  -4.631  15.304  -5.735
  186   HD11  ILE  24          HD11      ILE  24  -3.042  11.763  -5.932
  187   HD12  ILE  24          HD12      ILE  24  -2.891  13.159  -4.837
  188   HD13  ILE  24          HD13      ILE  24  -3.461  11.599  -4.218
  189    HA   PRO  25           HA       PRO  25  -8.679  14.543 -10.595
  190    HB2  PRO  25           HB2      PRO  25  -8.705  17.512 -10.031
  191    HB3  PRO  25           HB3      PRO  25  -9.967  16.494 -10.788
  192    HG2  PRO  25           HG2      PRO  25 -10.162  17.264  -8.182
  193    HG3  PRO  25           HG3      PRO  25 -10.608  15.598  -8.680
  194    HD2  PRO  25           HD2      PRO  25  -8.068  16.574  -7.371
  195    HD3  PRO  25           HD3      PRO  25  -9.009  15.091  -7.046
  196    H    LEU  26           H        LEU  26  -7.865  15.079 -12.676
  197    HA   LEU  26           HA       LEU  26  -5.191  15.650 -13.123
  198    HB2  LEU  26           HB2      LEU  26  -6.745  14.769 -14.807
  199    HB3  LEU  26           HB3      LEU  26  -7.613  16.307 -14.844
  200    HG   LEU  26           HG       LEU  26  -5.534  17.418 -15.743
  201   HD11  LEU  26          HD11      LEU  26  -4.515  14.544 -15.942
  202   HD12  LEU  26          HD12      LEU  26  -3.745  15.971 -16.675
  203   HD13  LEU  26          HD13      LEU  26  -3.824  15.825 -14.920
  204   HD21  LEU  26          HD21      LEU  26  -6.533  15.073 -17.390
  205   HD22  LEU  26          HD22      LEU  26  -7.366  16.631 -17.210
  206   HD23  LEU  26          HD23      LEU  26  -5.785  16.568 -17.993
  207    H    LYS  27           H        LYS  27  -7.809  18.006 -12.600
  208    HA   LYS  27           HA       LYS  27  -6.315  20.337 -13.373
  209    HB2  LYS  27           HB2      LYS  27  -8.699  20.087 -11.481
  210    HB3  LYS  27           HB3      LYS  27  -8.133  21.572 -12.235
  211    HG2  LYS  27           HG2      LYS  27  -9.340  19.178 -13.690
  212    HG3  LYS  27           HG3      LYS  27 -10.125  20.718 -13.348
  213    HD2  LYS  27           HD2      LYS  27  -8.416  21.884 -14.761
  214    HD3  LYS  27           HD3      LYS  27  -7.720  20.301 -15.181
  215    HE2  LYS  27           HE2      LYS  27  -9.894  19.585 -16.127
  216    HE3  LYS  27           HE3      LYS  27 -10.608  21.143 -15.691
  217    HZ1  LYS  27           HZ1      LYS  27  -8.392  20.774 -17.626
  218    HZ2  LYS  27           HZ2      LYS  27  -9.942  21.095 -18.007
  219    HZ3  LYS  27           HZ3      LYS  27  -9.058  22.212 -17.220
  220    H    GLU  28           H        GLU  28  -6.025  18.372 -10.539
  221    HA   GLU  28           HA       GLU  28  -4.860  20.633  -8.956
  222    HB2  GLU  28           HB2      GLU  28  -6.367  18.159  -8.015
  223    HB3  GLU  28           HB3      GLU  28  -5.718  19.422  -6.981
  224    HG2  GLU  28           HG2      GLU  28  -7.995  19.708  -8.991
  225    HG3  GLU  28           HG3      GLU  28  -8.144  19.625  -7.246
  226    H    VAL  29           H        VAL  29  -4.439  17.332 -10.123
  227    HA   VAL  29           HA       VAL  29  -2.812  16.283  -8.217
  228    HB   VAL  29           HB       VAL  29  -3.927  15.125 -10.092
  229   HG11  VAL  29          HG11      VAL  29  -3.170  16.607 -11.957
  230   HG12  VAL  29          HG12      VAL  29  -1.542  15.919 -11.792
  231   HG13  VAL  29          HG13      VAL  29  -2.905  14.885 -12.265
  232   HG21  VAL  29          HG21      VAL  29  -0.999  14.382  -9.873
  233   HG22  VAL  29          HG22      VAL  29  -2.298  13.901  -8.748
  234   HG23  VAL  29          HG23      VAL  29  -2.326  13.339 -10.422
  235    H    LYS  30           H        LYS  30  -1.679  18.513 -10.731
  236    HA   LYS  30           HA       LYS  30   1.095  18.093 -10.465
  237    HB2  LYS  30           HB2      LYS  30  -0.425  20.687 -11.004
  238    HB3  LYS  30           HB3      LYS  30   1.316  20.467 -11.216
  239    HG2  LYS  30           HG2      LYS  30   0.904  18.696 -12.905
  240    HG3  LYS  30           HG3      LYS  30  -0.842  18.909 -12.700
  241    HD2  LYS  30           HD2      LYS  30  -0.173  20.054 -14.693
  242    HD3  LYS  30           HD3      LYS  30  -0.648  21.258 -13.486
  243    HE2  LYS  30           HE2      LYS  30   1.753  21.665 -12.956
  244    HE3  LYS  30           HE3      LYS  30   2.225  20.434 -14.134
  245    HZ1  LYS  30           HZ1      LYS  30   2.379  22.657 -15.058
  246    HZ2  LYS  30           HZ2      LYS  30   1.243  21.821 -15.870
  247    HZ3  LYS  30           HZ3      LYS  30   0.803  22.955 -14.778
  248    H    GLU  31           H        GLU  31  -1.102  19.627  -8.177
  249    HA   GLU  31           HA       GLU  31   1.195  20.772  -6.656
  250    HB2  GLU  31           HB2      GLU  31  -1.798  21.341  -6.561
  251    HB3  GLU  31           HB3      GLU  31  -0.576  22.120  -5.555
  252    HG2  GLU  31           HG2      GLU  31   0.561  22.969  -7.630
  253    HG3  GLU  31           HG3      GLU  31  -0.764  22.315  -8.593
  254    H    ARG  32           H        ARG  32  -0.579  17.928  -6.693
  255    HA   ARG  32           HA       ARG  32  -0.573  17.736  -3.706
  256    HB2  ARG  32           HB2      ARG  32  -2.765  18.480  -4.567
  257    HB3  ARG  32           HB3      ARG  32  -2.881  17.019  -5.554
  258    HG2  ARG  32           HG2      ARG  32  -2.959  15.621  -3.568
  259    HG3  ARG  32           HG3      ARG  32  -2.569  17.006  -2.522
  260    HD2  ARG  32           HD2      ARG  32  -4.705  18.008  -2.872
  261    HD3  ARG  32           HD3      ARG  32  -5.062  16.960  -4.245
  262    HE   ARG  32           HE       ARG  32  -4.754  15.940  -1.445
  263   HH11  ARG  32          HH11      ARG  32  -6.833  16.168  -4.316
  264   HH12  ARG  32          HH12      ARG  32  -7.657  14.667  -3.999
  265   HH21  ARG  32          HH21      ARG  32  -6.054  14.125  -0.896
  266   HH22  ARG  32          HH22      ARG  32  -7.354  13.644  -1.923
  267    H    ILE  33           H        ILE  33  -0.100  15.914  -6.777
  268    HA   ILE  33           HA       ILE  33  -0.088  13.404  -5.415
  269    HB   ILE  33           HB       ILE  33  -0.209  13.580  -7.837
  270   HG12  ILE  33          HG12      ILE  33   1.373  11.724  -8.402
  271   HG13  ILE  33          HG13      ILE  33   2.123  11.907  -6.831
  272   HG21  ILE  33          HG21      ILE  33   1.568  15.411  -8.126
  273   HG22  ILE  33          HG22      ILE  33   2.771  14.119  -7.992
  274   HG23  ILE  33          HG23      ILE  33   1.569  14.116  -9.304
  275   HD11  ILE  33          HD11      ILE  33   0.462  10.059  -6.944
  276   HD12  ILE  33          HD12      ILE  33   0.026  11.258  -5.721
  277   HD13  ILE  33          HD13      ILE  33  -0.814  11.244  -7.293
  278    H    ALA  34           H        ALA  34   2.362  15.933  -5.762
  279    HA   ALA  34           HA       ALA  34   4.602  14.564  -4.807
  280    HB1  ALA  34           HB1      ALA  34   3.874  17.507  -4.469
  281    HB2  ALA  34           HB2      ALA  34   5.500  16.809  -4.336
  282    HB3  ALA  34           HB3      ALA  34   4.660  16.781  -5.896
  283    H    THR  35           H        THR  35   1.794  15.578  -2.907
  284    HA   THR  35           HA       THR  35   3.296  15.082  -0.398
  285    HB   THR  35           HB       THR  35   1.282  16.434   0.493
  286    HG1  THR  35           HG1      THR  35   0.273  17.741  -0.966
  287   HG21  THR  35          HG21      THR  35   3.600  17.323   0.367
  288   HG22  THR  35          HG22      THR  35   3.318  17.826  -1.314
  289   HG23  THR  35          HG23      THR  35   2.404  18.579   0.012
  290    H    ALA  36           H        ALA  36   0.399  14.180  -2.319
  291    HA   ALA  36           HA       ALA  36  -0.699  12.403  -0.351
  292    HB1  ALA  36           HB1      ALA  36  -1.897  11.422  -2.278
  293    HB2  ALA  36           HB2      ALA  36  -1.971  13.196  -2.317
  294    HB3  ALA  36           HB3      ALA  36  -0.860  12.322  -3.399
  295    H    VAL  37           H        VAL  37   1.738  11.990  -2.963
  296    HA   VAL  37           HA       VAL  37   2.618   9.432  -1.771
  297    HB   VAL  37           HB       VAL  37   2.094   9.753  -4.755
  298   HG11  VAL  37          HG11      VAL  37   3.892   8.159  -4.164
  299   HG12  VAL  37          HG12      VAL  37   2.815   7.349  -3.006
  300   HG13  VAL  37          HG13      VAL  37   2.468   7.295  -4.745
  301   HG21  VAL  37          HG21      VAL  37  -0.103   9.647  -3.722
  302   HG22  VAL  37          HG22      VAL  37   0.273   8.081  -4.439
  303   HG23  VAL  37          HG23      VAL  37   0.404   8.297  -2.682
  304    HA   PRO  38           HA       PRO  38   5.901  12.557  -2.748
  305    HB2  PRO  38           HB2      PRO  38   7.445  12.226  -0.492
  306    HB3  PRO  38           HB3      PRO  38   6.004  13.281  -0.558
  307    HG2  PRO  38           HG2      PRO  38   6.184  10.440   0.473
  308    HG3  PRO  38           HG3      PRO  38   5.397  11.854   1.244
  309    HD2  PRO  38           HD2      PRO  38   3.984  10.021  -0.189
  310    HD3  PRO  38           HD3      PRO  38   3.566  11.759  -0.241
  311    H    ASP  39           H        ASP  39   6.047   9.130  -1.844
  312    HA   ASP  39           HA       ASP  39   8.798   8.744  -2.725
  313    HB2  ASP  39           HB2      ASP  39   7.925   7.289  -1.010
  314    HB3  ASP  39           HB3      ASP  39   6.580   6.788  -2.046
  315    H    LYS  40           H        LYS  40   9.113   9.255  -4.851
  316    HA   LYS  40           HA       LYS  40   7.182   8.820  -6.891
  317    HB2  LYS  40           HB2      LYS  40  10.179   9.308  -7.124
  318    HB3  LYS  40           HB3      LYS  40   9.019   9.394  -8.455
  319    HG2  LYS  40           HG2      LYS  40   7.750  11.165  -7.192
  320    HG3  LYS  40           HG3      LYS  40   9.034  11.161  -5.971
  321    HD2  LYS  40           HD2      LYS  40  10.682  11.777  -7.755
  322    HD3  LYS  40           HD3      LYS  40   9.334  11.879  -8.915
  323    HE2  LYS  40           HE2      LYS  40   8.235  13.581  -7.459
  324    HE3  LYS  40           HE3      LYS  40   9.598  13.496  -6.335
  325    HZ1  LYS  40           HZ1      LYS  40   9.731  14.397  -9.153
  326    HZ2  LYS  40           HZ2      LYS  40   9.828  15.361  -7.835
  327    HZ3  LYS  40           HZ3      LYS  40  11.028  14.300  -8.143
  328    H    ASN  41           H        ASN  41   9.168   6.461  -5.371
  329    HA   ASN  41           HA       ASN  41   9.336   4.702  -7.700
  330    HB2  ASN  41           HB2      ASN  41  11.056   4.569  -5.993
  331    HB3  ASN  41           HB3      ASN  41   9.845   4.226  -4.754
  332   HD21  ASN  41          HD22      ASN  41  10.564   2.796  -8.067
  333   HD22  ASN  41          HD21      ASN  41  10.635   1.174  -7.443
  334    H    ASP  42           H        ASP  42   6.809   5.605  -5.483
  335    HA   ASP  42           HA       ASP  42   5.584   3.049  -5.120
  336    HB2  ASP  42           HB2      ASP  42   5.174   5.110  -3.739
  337    HB3  ASP  42           HB3      ASP  42   4.257   5.773  -5.103
  338    H    THR  43           H        THR  43   3.742   2.122  -6.137
  339    HA   THR  43           HA       THR  43   3.540   2.642  -8.988
  340    HB   THR  43           HB       THR  43   1.841   0.676  -7.444
  341    HG1  THR  43           HG1      THR  43   3.778   0.133  -6.742
  342   HG21  THR  43          HG21      THR  43   1.390   1.017  -9.869
  343   HG22  THR  43          HG22      THR  43   3.077   0.604 -10.232
  344   HG23  THR  43          HG23      THR  43   1.991  -0.614  -9.524
  345    H    VAL  44           H        VAL  44   2.791   4.850  -8.748
  346    HA   VAL  44           HA       VAL  44   0.174   5.518  -7.771
  347    HB   VAL  44           HB       VAL  44   2.036   6.806  -9.818
  348   HG11  VAL  44          HG11      VAL  44  -0.519   7.943  -8.600
  349   HG12  VAL  44          HG12      VAL  44   0.699   8.890  -9.481
  350   HG13  VAL  44          HG13      VAL  44  -0.194   7.625 -10.318
  351   HG21  VAL  44          HG21      VAL  44   2.479   8.414  -7.979
  352   HG22  VAL  44          HG22      VAL  44   1.411   7.485  -6.908
  353   HG23  VAL  44          HG23      VAL  44   2.924   6.772  -7.506
  354    H    LYS  45           H        LYS  45  -1.500   4.229  -8.450
  355    HA   LYS  45           HA       LYS  45  -1.722   3.522 -11.326
  356    HB2  LYS  45           HB2      LYS  45  -3.208   2.588  -8.834
  357    HB3  LYS  45           HB3      LYS  45  -3.715   2.193 -10.483
  358    HG2  LYS  45           HG2      LYS  45  -1.538   1.127 -10.937
  359    HG3  LYS  45           HG3      LYS  45  -0.986   1.518  -9.297
  360    HD2  LYS  45           HD2      LYS  45  -2.765   0.133  -8.335
  361    HD3  LYS  45           HD3      LYS  45  -3.383  -0.244  -9.962
  362    HE2  LYS  45           HE2      LYS  45  -1.210  -1.299 -10.540
  363    HE3  LYS  45           HE3      LYS  45  -0.588  -0.907  -8.929
  364    HZ1  LYS  45           HZ1      LYS  45  -2.320  -2.317  -7.985
  365    HZ2  LYS  45           HZ2      LYS  45  -2.848  -2.734  -9.492
  366    HZ3  LYS  45           HZ3      LYS  45  -1.356  -3.175  -9.001
  367    H    VAL  46           H        VAL  46  -3.073   4.674 -12.615
  368    HA   VAL  46           HA       VAL  46  -4.957   6.569 -11.302
  369    HB   VAL  46           HB       VAL  46  -4.516   8.105 -13.223
  370   HG11  VAL  46          HG11      VAL  46  -2.511   9.069 -12.209
  371   HG12  VAL  46          HG12      VAL  46  -3.608   8.467 -10.955
  372   HG13  VAL  46          HG13      VAL  46  -2.162   7.533 -11.386
  373   HG21  VAL  46          HG21      VAL  46  -1.989   6.440 -13.655
  374   HG22  VAL  46          HG22      VAL  46  -3.365   6.515 -14.775
  375   HG23  VAL  46          HG23      VAL  46  -2.413   7.967 -14.450
  376    H    TYR  47           H        TYR  47  -6.951   6.855 -12.181
  377    HA   TYR  47           HA       TYR  47  -7.707   5.610 -14.694
  378    HB2  TYR  47           HB2      TYR  47  -9.396   4.187 -13.816
  379    HB3  TYR  47           HB3      TYR  47  -7.875   3.714 -13.081
  380    HD1  TYR  47           HD2      TYR  47  -7.381   4.527 -10.658
  381    HD2  TYR  47           HD1      TYR  47 -11.272   4.786 -12.513
  382    HE1  TYR  47           HE2      TYR  47  -8.415   4.849  -8.433
  383    HE2  TYR  47           HE1      TYR  47 -12.304   5.099 -10.285
  384    HH   TYR  47           HH       TYR  47 -10.404   5.203  -7.263
  385    H    CYS  48           H        CYS  48 -10.104   6.172 -15.057
  386    HA   CYS  48           HA       CYS  48 -11.373   8.084 -13.369
  387    HB2  CYS  48           HB2      CYS  48 -11.417   9.982 -15.020
  388    HB3  CYS  48           HB3      CYS  48  -9.813   9.682 -14.360
  389    HG   CYS  48           HG       CYS  48  -8.980   8.210 -16.349
  390    H    ASN  49           H        ASN  49 -13.236   9.075 -15.081
  391    HA   ASN  49           HA       ASN  49 -15.025   7.007 -15.479
  392    HB2  ASN  49           HB2      ASN  49 -15.400   9.545 -15.428
  393    HB3  ASN  49           HB3      ASN  49 -14.952   9.578 -17.124
  394   HD21  ASN  49          HD22      ASN  49 -16.307   7.063 -17.944
  395   HD22  ASN  49          HD21      ASN  49 -18.020   7.398 -17.824
  396    H    ALA  50           H        ALA  50 -12.919   8.488 -17.979
  397    HA   ALA  50           HA       ALA  50 -13.390   6.161 -19.785
  398    HB1  ALA  50           HB1      ALA  50 -13.567   9.119 -20.522
  399    HB2  ALA  50           HB2      ALA  50 -13.800   7.742 -21.620
  400    HB3  ALA  50           HB3      ALA  50 -14.954   8.024 -20.307
  401    H    GLY  51           H        GLY  51 -11.007   6.948 -18.107
  402    HA2  GLY  51           HA2      GLY  51  -8.768   6.623 -18.325
  403    HA3  GLY  51           HA3      GLY  51  -9.037   6.233 -20.025
  404    H    ARG  52           H        ARG  52 -10.211   9.177 -20.306
  405    HA   ARG  52           HA       ARG  52  -7.736  10.213 -21.350
  406    HB2  ARG  52           HB2      ARG  52 -10.246  11.856 -20.832
  407    HB3  ARG  52           HB3      ARG  52  -8.955  12.171 -21.988
  408    HG2  ARG  52           HG2      ARG  52 -11.130  10.051 -22.153
  409    HG3  ARG  52           HG3      ARG  52 -10.836  11.418 -23.224
  410    HD2  ARG  52           HD2      ARG  52  -8.578  10.303 -23.779
  411    HD3  ARG  52           HD3      ARG  52  -9.203   8.857 -22.982
  412    HE   ARG  52           HE       ARG  52  -9.954  10.007 -25.558
  413   HH11  ARG  52          HH11      ARG  52 -11.075   7.714 -23.033
  414   HH12  ARG  52          HH12      ARG  52 -12.006   6.791 -24.150
  415   HH21  ARG  52          HH21      ARG  52 -11.251   8.788 -26.973
  416   HH22  ARG  52          HH22      ARG  52 -12.143   7.429 -26.407
  417    H    GLN  53           H        GLN  53  -9.349  11.096 -18.292
  418    HA   GLN  53           HA       GLN  53  -7.372  13.133 -17.790
  419    HB2  GLN  53           HB2      GLN  53  -9.251  11.642 -15.927
  420    HB3  GLN  53           HB3      GLN  53  -8.056  12.790 -15.356
  421    HG2  GLN  53           HG2      GLN  53 -10.319  13.806 -15.587
  422    HG3  GLN  53           HG3      GLN  53  -9.060  14.618 -16.505
  423   HE21  GLN  53          HE22      GLN  53 -11.551  11.998 -16.985
  424   HE22  GLN  53          HE21      GLN  53 -11.970  12.513 -18.597
  425    H    SER  54           H        SER  54  -7.407   9.593 -17.376
  426    HA   SER  54           HA       SER  54  -5.051   9.460 -15.735
  427    HB2  SER  54           HB2      SER  54  -6.105   7.280 -17.550
  428    HB3  SER  54           HB3      SER  54  -5.254   7.132 -16.003
  429    HG   SER  54           HG       SER  54  -7.109   8.212 -15.057
  430    H    GLY  55           H        GLY  55  -5.555   9.025 -19.293
  431    HA2  GLY  55           HA2      GLY  55  -2.816   8.536 -19.920
  432    HA3  GLY  55           HA3      GLY  55  -4.042   9.210 -21.018
  433    H    GLN  56           H        GLN  56  -4.750  11.558 -19.778
  434    HA   GLN  56           HA       GLN  56  -2.703  13.407 -20.362
  435    HB2  GLN  56           HB2      GLN  56  -5.356  13.442 -18.926
  436    HB3  GLN  56           HB3      GLN  56  -4.304  14.871 -18.831
  437    HG2  GLN  56           HG2      GLN  56  -4.235  15.050 -21.270
  438    HG3  GLN  56           HG3      GLN  56  -5.181  13.566 -21.438
  439   HE21  GLN  56          HE22      GLN  56  -7.348  13.577 -20.322
  440   HE22  GLN  56          HE21      GLN  56  -8.302  15.056 -20.340
  441    H    ALA  57           H        ALA  57  -3.748  12.090 -17.140
  442    HA   ALA  57           HA       ALA  57  -1.892  13.580 -15.624
  443    HB1  ALA  57           HB1      ALA  57  -3.163  10.885 -14.991
  444    HB2  ALA  57           HB2      ALA  57  -2.342  11.948 -13.832
  445    HB3  ALA  57           HB3      ALA  57  -3.838  12.490 -14.610
  446    H    LYS  58           H        LYS  58  -1.536  10.358 -17.219
  447    HA   LYS  58           HA       LYS  58   0.859   9.653 -15.934
  448    HB2  LYS  58           HB2      LYS  58  -0.520   8.129 -17.334
  449    HB3  LYS  58           HB3      LYS  58   0.054   8.959 -18.793
  450    HG2  LYS  58           HG2      LYS  58   2.374   8.311 -18.278
  451    HG3  LYS  58           HG3      LYS  58   1.858   7.581 -16.750
  452    HD2  LYS  58           HD2      LYS  58   0.463   5.953 -18.034
  453    HD3  LYS  58           HD3      LYS  58   1.067   6.644 -19.545
  454    HE2  LYS  58           HE2      LYS  58   2.757   5.326 -17.360
  455    HE3  LYS  58           HE3      LYS  58   2.263   4.564 -18.873
  456    HZ1  LYS  58           HZ1      LYS  58   3.561   6.237 -20.068
  457    HZ2  LYS  58           HZ2      LYS  58   4.056   6.919 -18.661
  458    HZ3  LYS  58           HZ3      LYS  58   4.501   5.398 -19.040
  459    H    GLU  59           H        GLU  59   0.398  11.836 -18.736
  460    HA   GLU  59           HA       GLU  59   3.155  11.990 -19.440
  461    HB2  GLU  59           HB2      GLU  59   0.919  14.040 -19.769
  462    HB3  GLU  59           HB3      GLU  59   2.529  14.174 -20.484
  463    HG2  GLU  59           HG2      GLU  59   2.165  12.008 -21.677
  464    HG3  GLU  59           HG3      GLU  59   0.521  11.951 -21.041
  465    H    ILE  60           H        ILE  60   1.193  14.234 -17.299
  466    HA   ILE  60           HA       ILE  60   3.508  15.741 -16.611
  467    HB   ILE  60           HB       ILE  60   2.070  16.711 -14.862
  468   HG12  ILE  60          HG12      ILE  60  -0.003  14.714 -15.825
  469   HG13  ILE  60          HG13      ILE  60   0.750  14.734 -14.212
  470   HG21  ILE  60          HG21      ILE  60   0.646  16.505 -17.552
  471   HG22  ILE  60          HG22      ILE  60   0.617  17.868 -16.413
  472   HG23  ILE  60          HG23      ILE  60   2.107  17.474 -17.263
  473   HD11  ILE  60          HD11      ILE  60  -1.505  15.589 -14.180
  474   HD12  ILE  60          HD12      ILE  60  -0.339  16.845 -13.719
  475   HD13  ILE  60          HD13      ILE  60  -1.103  16.856 -15.341
  476    H    LEU  61           H        LEU  61   2.031  12.835 -15.104
  477    HA   LEU  61           HA       LEU  61   3.633  12.945 -12.731
  478    HB2  LEU  61           HB2      LEU  61   2.321  10.636 -14.221
  479    HB3  LEU  61           HB3      LEU  61   3.158  10.442 -12.680
  480    HG   LEU  61           HG       LEU  61   0.811  12.351 -12.997
  481   HD11  LEU  61          HD11      LEU  61   0.811   9.459 -12.028
  482   HD12  LEU  61          HD12      LEU  61  -0.557  10.590 -11.932
  483   HD13  LEU  61          HD13      LEU  61   0.042  10.069 -13.511
  484   HD21  LEU  61          HD21      LEU  61   2.135  11.099 -10.562
  485   HD22  LEU  61          HD22      LEU  61   2.267  12.795 -11.068
  486   HD23  LEU  61          HD23      LEU  61   0.700  12.156 -10.561
  487    H    SER  62           H        SER  62   4.217  11.520 -15.970
  488    HA   SER  62           HA       SER  62   6.725  10.312 -15.290
  489    HB2  SER  62           HB2      SER  62   5.765  11.344 -17.992
  490    HB3  SER  62           HB3      SER  62   7.078  10.193 -17.699
  491    HG   SER  62           HG       SER  62   4.295   9.875 -17.227
  492    H    GLU  63           H        GLU  63   5.849  13.582 -16.587
  493    HA   GLU  63           HA       GLU  63   8.547  14.514 -16.771
  494    HB2  GLU  63           HB2      GLU  63   5.882  15.953 -16.470
  495    HB3  GLU  63           HB3      GLU  63   7.406  16.808 -16.672
  496    HG2  GLU  63           HG2      GLU  63   6.321  14.773 -18.669
  497    HG3  GLU  63           HG3      GLU  63   6.095  16.512 -18.786
  498    H    MET  64           H        MET  64   6.206  14.546 -14.059
  499    HA   MET  64           HA       MET  64   7.914  16.008 -12.249
  500    HB2  MET  64           HB2      MET  64   5.495  14.208 -11.839
  501    HB3  MET  64           HB3      MET  64   6.345  15.000 -10.507
  502    HG2  MET  64           HG2      MET  64   5.918  17.208 -11.469
  503    HG3  MET  64           HG3      MET  64   5.152  16.486 -12.872
  504    HE1  MET  64           HE1      MET  64   4.767  15.874  -8.891
  505    HE2  MET  64           HE2      MET  64   4.853  17.621  -9.224
  506    HE3  MET  64           HE3      MET  64   3.339  16.902  -8.645
  507    H    GLY  65           H        GLY  65   8.218  12.827 -13.510
  508    HA2  GLY  65           HA2      GLY  65  10.208  11.683 -13.235
  509    HA3  GLY  65           HA3      GLY  65  10.464  12.414 -11.649
  510    H    TYR  66           H        TYR  66   7.256  11.074 -12.096
  511    HA   TYR  66           HA       TYR  66   7.857   8.819 -10.293
  512    HB2  TYR  66           HB2      TYR  66   5.329   9.609 -11.791
  513    HB3  TYR  66           HB3      TYR  66   5.497   8.195 -10.754
  514    HD1  TYR  66           HD2      TYR  66   5.657  11.952 -10.714
  515    HD2  TYR  66           HD1      TYR  66   5.205   8.337  -8.403
  516    HE1  TYR  66           HE2      TYR  66   5.184  13.306  -8.697
  517    HE2  TYR  66           HE1      TYR  66   4.711   9.681  -6.388
  518    HH   TYR  66           HH       TYR  66   4.543  11.804  -5.494
  519    H    THR  67           H        THR  67   8.391   6.813 -11.007
  520    HA   THR  67           HA       THR  67   8.587   6.396 -13.938
  521    HB   THR  67           HB       THR  67  10.528   4.856 -13.043
  522    HG1  THR  67           HG1      THR  67  10.346   4.932 -10.887
  523   HG21  THR  67          HG21      THR  67  10.686   7.899 -12.885
  524   HG22  THR  67          HG22      THR  67  12.060   6.784 -13.052
  525   HG23  THR  67          HG23      THR  67  10.866   6.914 -14.352
  526    H    HIS  68           H        HIS  68   6.504   5.421 -11.647
  527    HA   HIS  68           HA       HIS  68   6.181   2.709 -12.807
  528    HB2  HIS  68           HB2      HIS  68   5.912   3.295  -9.835
  529    HB3  HIS  68           HB3      HIS  68   5.916   1.720 -10.625
  530    HD1  HIS  68           HD1      HIS  68   8.425   0.745 -11.243
  531    HD2  HIS  68           HD2      HIS  68   8.235   4.612  -9.608
  532    HE1  HIS  68           HE1      HIS  68  10.827   1.430 -10.755
  533    H    VAL  69           H        VAL  69   4.882   5.156 -13.438
  534    HA   VAL  69           HA       VAL  69   2.256   5.237 -12.188
  535    HB   VAL  69           HB       VAL  69   3.110   6.395 -14.877
  536   HG11  VAL  69          HG11      VAL  69   0.880   7.123 -12.918
  537   HG12  VAL  69          HG12      VAL  69   1.304   8.060 -14.365
  538   HG13  VAL  69          HG13      VAL  69   0.682   6.418 -14.536
  539   HG21  VAL  69          HG21      VAL  69   3.588   8.500 -13.759
  540   HG22  VAL  69          HG22      VAL  69   3.274   7.770 -12.161
  541   HG23  VAL  69          HG23      VAL  69   4.666   7.266 -13.152
  542    H    GLU  70           H        GLU  70   0.376   4.192 -13.012
  543    HA   GLU  70           HA       GLU  70   0.590   2.711 -15.568
  544    HB2  GLU  70           HB2      GLU  70   1.279   1.101 -13.832
  545    HB3  GLU  70           HB3      GLU  70  -0.179   1.446 -12.895
  546    HG2  GLU  70           HG2      GLU  70  -1.593   0.541 -14.690
  547    HG3  GLU  70           HG3      GLU  70  -0.185   0.333 -15.735
  548    H    ASN  71           H        ASN  71  -1.276   3.068 -16.721
  549    HA   ASN  71           HA       ASN  71  -3.579   4.261 -15.326
  550    HB2  ASN  71           HB2      ASN  71  -3.253   5.192 -17.502
  551    HB3  ASN  71           HB3      ASN  71  -3.118   3.587 -18.243
  552   HD21  ASN  71          HD22      ASN  71  -5.587   4.818 -15.804
  553   HD22  ASN  71          HD21      ASN  71  -6.940   4.493 -16.854
  554    H    ALA  72           H        ALA  72  -4.760   2.831 -14.139
  555    HA   ALA  72           HA       ALA  72  -4.631  -0.007 -14.477
  556    HB1  ALA  72           HB1      ALA  72  -6.719   1.702 -13.051
  557    HB2  ALA  72           HB2      ALA  72  -6.504  -0.049 -12.867
  558    HB3  ALA  72           HB3      ALA  72  -5.223   1.056 -12.336
  559    H    GLY  73           H        GLY  73  -6.770   2.471 -15.856
  560    HA2  GLY  73           HA2      GLY  73  -7.529   1.466 -18.183
  561    HA3  GLY  73           HA3      GLY  73  -8.570   0.514 -17.106
  562    H    GLY  74           H        GLY  74 -10.393   1.598 -18.072
  563    HA2  GLY  74           HA2      GLY  74 -10.932   4.304 -16.918
  564    HA3  GLY  74           HA3      GLY  74 -11.749   3.648 -18.349
  565    H    LEU  75           H        LEU  75 -13.056   4.449 -15.930
  566    HA   LEU  75           HA       LEU  75 -13.481   2.590 -13.979
  567    HB2  LEU  75           HB2      LEU  75 -14.305   4.943 -14.117
  568    HB3  LEU  75           HB3      LEU  75 -15.583   4.450 -15.206
  569    HG   LEU  75           HG       LEU  75 -16.225   4.872 -12.840
  570   HD11  LEU  75          HD11      LEU  75 -17.649   3.451 -14.302
  571   HD12  LEU  75          HD12      LEU  75 -16.910   2.012 -13.567
  572   HD13  LEU  75          HD13      LEU  75 -17.818   3.146 -12.569
  573   HD21  LEU  75          HD21      LEU  75 -15.711   3.388 -11.042
  574   HD22  LEU  75          HD22      LEU  75 -14.873   2.254 -12.119
  575   HD23  LEU  75          HD23      LEU  75 -14.173   3.848 -11.799
  576    H    LYS  76           H        LYS  76 -15.251   2.735 -17.075
  577    HA   LYS  76           HA       LYS  76 -17.038   0.588 -16.482
  578    HB2  LYS  76           HB2      LYS  76 -17.669   0.732 -18.828
  579    HB3  LYS  76           HB3      LYS  76 -17.536   2.339 -18.120
  580    HG2  LYS  76           HG2      LYS  76 -15.300   2.631 -19.192
  581    HG3  LYS  76           HG3      LYS  76 -15.429   1.007 -19.894
  582    HD2  LYS  76           HD2      LYS  76 -17.467   1.703 -21.129
  583    HD3  LYS  76           HD3      LYS  76 -17.325   3.335 -20.437
  584    HE2  LYS  76           HE2      LYS  76 -15.096   3.593 -21.497
  585    HE3  LYS  76           HE3      LYS  76 -15.213   1.960 -22.164
  586    HZ1  LYS  76           HZ1      LYS  76 -17.023   4.206 -22.848
  587    HZ2  LYS  76           HZ2      LYS  76 -15.833   3.623 -23.795
  588    HZ3  LYS  76           HZ3      LYS  76 -17.127   2.694 -23.462
  589    H    ASP  77           H        ASP  77 -13.702   0.373 -17.149
  590    HA   ASP  77           HA       ASP  77 -13.972  -2.318 -18.435
  591    HB2  ASP  77           HB2      ASP  77 -12.999  -0.636 -19.906
  592    HB3  ASP  77           HB3      ASP  77 -11.811  -0.202 -18.675
  593    H    ILE  78           H        ILE  78 -12.383  -0.434 -15.851
  594    HA   ILE  78           HA       ILE  78 -10.618  -2.438 -14.886
  595    HB   ILE  78           HB       ILE  78 -12.082  -0.082 -13.642
  596   HG12  ILE  78          HG12      ILE  78  -9.107  -0.548 -14.165
  597   HG13  ILE  78          HG13      ILE  78 -10.181   0.185 -15.351
  598   HG21  ILE  78          HG21      ILE  78 -11.775  -1.615 -11.790
  599   HG22  ILE  78          HG22      ILE  78 -10.063  -1.894 -12.239
  600   HG23  ILE  78          HG23      ILE  78 -10.612  -0.320 -11.635
  601   HD11  ILE  78          HD11      ILE  78 -10.733   2.003 -13.747
  602   HD12  ILE  78          HD12      ILE  78  -9.524   1.339 -12.619
  603   HD13  ILE  78          HD13      ILE  78  -9.021   1.919 -14.207
  604    H    ALA  79           H        ALA  79 -10.970  -4.315 -13.809
  605    HA   ALA  79           HA       ALA  79 -13.687  -5.290 -13.537
  606    HB1  ALA  79           HB1      ALA  79 -11.832  -6.688 -14.396
  607    HB2  ALA  79           HB2      ALA  79 -11.014  -6.577 -12.816
  608    HB3  ALA  79           HB3      ALA  79 -12.577  -7.407 -12.958
  609    H    MET  80           H        MET  80 -11.592  -3.624 -11.367
  610    HA   MET  80           HA       MET  80 -12.198  -4.873  -8.891
  611    HB2  MET  80           HB2      MET  80 -11.516  -1.970  -9.533
  612    HB3  MET  80           HB3      MET  80 -11.551  -2.634  -7.912
  613    HG2  MET  80           HG2      MET  80  -9.718  -3.578 -10.146
  614    HG3  MET  80           HG3      MET  80  -9.267  -2.485  -8.847
  615    HE1  MET  80           HE1      MET  80  -9.005  -4.686  -5.704
  616    HE2  MET  80           HE2      MET  80  -8.625  -3.129  -6.471
  617    HE3  MET  80           HE3      MET  80 -10.318  -3.581  -6.161
  618    HA   PRO  81           HA       PRO  81 -16.375  -3.446  -8.130
  619    HB2  PRO  81           HB2      PRO  81 -16.446  -3.200  -5.385
  620    HB3  PRO  81           HB3      PRO  81 -16.425  -4.769  -6.243
  621    HG2  PRO  81           HG2      PRO  81 -14.086  -3.282  -5.024
  622    HG3  PRO  81           HG3      PRO  81 -14.508  -5.014  -4.851
  623    HD2  PRO  81           HD2      PRO  81 -12.644  -4.151  -6.632
  624    HD3  PRO  81           HD3      PRO  81 -13.739  -5.506  -7.027
  625    H    LYS  82           H        LYS  82 -17.611  -1.583  -7.187
  626    HA   LYS  82           HA       LYS  82 -15.989   0.925  -7.156
  627    HB2  LYS  82           HB2      LYS  82 -18.604   0.399  -8.649
  628    HB3  LYS  82           HB3      LYS  82 -17.895   1.981  -8.385
  629    HG2  LYS  82           HG2      LYS  82 -17.176   1.584 -10.495
  630    HG3  LYS  82           HG3      LYS  82 -15.774   1.041  -9.569
  631    HD2  LYS  82           HD2      LYS  82 -16.638  -1.325  -9.823
  632    HD3  LYS  82           HD3      LYS  82 -17.951  -0.699 -10.828
  633    HE2  LYS  82           HE2      LYS  82 -16.376   0.083 -12.510
  634    HE3  LYS  82           HE3      LYS  82 -15.003  -0.218 -11.431
  635    HZ1  LYS  82           HZ1      LYS  82 -15.197  -1.986 -13.028
  636    HZ2  LYS  82           HZ2      LYS  82 -15.467  -2.554 -11.526
  637    HZ3  LYS  82           HZ3      LYS  82 -16.738  -2.331 -12.562
  638    H    VAL  83           H        VAL  83 -17.214   2.757  -6.296
  639    HA   VAL  83           HA       VAL  83 -19.338   2.084  -4.345
  640    HB   VAL  83           HB       VAL  83 -18.343   3.844  -2.847
  641   HG11  VAL  83          HG11      VAL  83 -16.705   2.344  -1.799
  642   HG12  VAL  83          HG12      VAL  83 -18.125   1.441  -2.346
  643   HG13  VAL  83          HG13      VAL  83 -16.620   1.368  -3.281
  644   HG21  VAL  83          HG21      VAL  83 -16.785   4.922  -4.478
  645   HG22  VAL  83          HG22      VAL  83 -15.975   4.411  -2.992
  646   HG23  VAL  83          HG23      VAL  83 -15.782   3.460  -4.475
  647    H    LYS  84           H        LYS  84 -20.870   3.829  -4.133
  648    HA   LYS  84           HA       LYS  84 -20.807   5.934  -6.191
  649    HB2  LYS  84           HB2      LYS  84 -21.569   3.910  -7.362
  650    HB3  LYS  84           HB3      LYS  84 -22.792   3.609  -6.122
  651    HG2  LYS  84           HG2      LYS  84 -24.058   5.567  -6.786
  652    HG3  LYS  84           HG3      LYS  84 -22.755   6.108  -7.859
  653    HD2  LYS  84           HD2      LYS  84 -23.076   4.084  -9.270
  654    HD3  LYS  84           HD3      LYS  84 -24.359   3.539  -8.186
  655    HE2  LYS  84           HE2      LYS  84 -25.333   4.547 -10.161
  656    HE3  LYS  84           HE3      LYS  84 -25.717   5.527  -8.744
  657    HZ1  LYS  84           HZ1      LYS  84 -23.510   6.140 -10.641
  658    HZ2  LYS  84           HZ2      LYS  84 -25.006   6.816 -10.713
  659    HZ3  LYS  84           HZ3      LYS  84 -24.047   7.101  -9.423
  660    H    GLY  85           H        GLY  85 -22.402   7.555  -5.787
  661    HA2  GLY  85           HA2      GLY  85 -24.414   7.305  -3.745
  662    HA3  GLY  85           HA3      GLY  85 -23.020   8.236  -3.166
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1   6.267   0.014  -2.237
    2    H2   ALA   1           H2       ALA   1   6.007   0.086  -3.863
    3    H3   ALA   1           H3       ALA   1   5.808   1.434  -2.957
    4    HA   ALA   1           HA       ALA   1   4.165  -0.982  -2.834
    5    HB1  ALA   1           HB1      ALA   1   4.428   0.130  -0.610
    6    HB2  ALA   1           HB2      ALA   1   3.813   1.644  -1.310
    7    HB3  ALA   1           HB3      ALA   1   2.771   0.206  -1.211
    8    H    GLU   2           H        GLU   2   1.754   0.802  -2.828
    9    HA   GLU   2           HA       GLU   2   1.921   2.288  -5.304
   10    HB2  GLU   2           HB2      GLU   2   0.176   1.130  -6.465
   11    HB3  GLU   2           HB3      GLU   2   1.425  -0.044  -6.090
   12    HG2  GLU   2           HG2      GLU   2  -1.191   0.269  -4.548
   13    HG3  GLU   2           HG3      GLU   2  -0.908  -0.880  -5.839
   14    H    HIS   3           H        HIS   3  -0.253   3.360  -5.726
   15    HA   HIS   3           HA       HIS   3  -2.069   3.536  -3.410
   16    HB2  HIS   3           HB2      HIS   3  -0.761   5.903  -4.826
   17    HB3  HIS   3           HB3      HIS   3  -2.261   6.034  -3.915
   18    HD1  HIS   3           HD1      HIS   3  -2.076   5.954  -1.227
   19    HD2  HIS   3           HD2      HIS   3   1.516   5.565  -3.383
   20    HE1  HIS   3           HE1      HIS   3  -0.197   6.246   0.462
   21    H    TRP   4           H        TRP   4  -4.189   3.943  -4.077
   22    HA   TRP   4           HA       TRP   4  -4.766   3.656  -6.984
   23    HB2  TRP   4           HB2      TRP   4  -6.366   2.931  -4.503
   24    HB3  TRP   4           HB3      TRP   4  -7.051   2.986  -6.108
   25    HD1  TRP   4           HD1      TRP   4  -4.498   0.977  -4.058
   26    HE1  TRP   4           HE1      TRP   4  -4.057  -1.274  -5.171
   27    HE3  TRP   4           HE3      TRP   4  -7.265   1.637  -8.307
   28    HZ2  TRP   4           HZ2      TRP   4  -4.722  -2.592  -7.685
   29    HZ3  TRP   4           HZ3      TRP   4  -7.283  -0.090 -10.080
   30    HH2  TRP   4           HH2      TRP   4  -6.016  -2.206  -9.783
   31    H    ILE   5           H        ILE   5  -5.067   5.593  -7.864
   32    HA   ILE   5           HA       ILE   5  -6.397   7.752  -6.303
   33    HB   ILE   5           HB       ILE   5  -3.834   7.740  -7.933
   34   HG12  ILE   5          HG12      ILE   5  -4.265   9.156  -5.282
   35   HG13  ILE   5          HG13      ILE   5  -4.013   7.413  -5.284
   36   HG21  ILE   5          HG21      ILE   5  -5.573  10.132  -7.221
   37   HG22  ILE   5          HG22      ILE   5  -3.858  10.267  -7.694
   38   HG23  ILE   5          HG23      ILE   5  -5.037   9.620  -8.823
   39   HD11  ILE   5          HD11      ILE   5  -1.873   7.653  -6.405
   40   HD12  ILE   5          HD12      ILE   5  -2.086   9.418  -6.503
   41   HD13  ILE   5          HD13      ILE   5  -1.930   8.627  -4.922
   42    H    ASP   6           H        ASP   6  -8.362   7.876  -7.277
   43    HA   ASP   6           HA       ASP   6  -8.685   7.391 -10.154
   44    HB2  ASP   6           HB2      ASP   6 -10.483   7.127  -8.303
   45    HB3  ASP   6           HB3      ASP   6 -10.607   8.887  -8.341
   46    H    VAL   7           H        VAL   7  -8.625   9.057 -11.740
   47    HA   VAL   7           HA       VAL   7  -7.796  11.756 -10.741
   48    HB   VAL   7           HB       VAL   7  -6.392  11.993 -12.710
   49   HG11  VAL   7          HG11      VAL   7  -4.572  10.551 -12.017
   50   HG12  VAL   7          HG12      VAL   7  -5.436  11.144 -10.592
   51   HG13  VAL   7          HG13      VAL   7  -5.690   9.476 -11.154
   52   HG21  VAL   7          HG21      VAL   7  -7.505  10.426 -14.271
   53   HG22  VAL   7          HG22      VAL   7  -5.779  10.104 -14.111
   54   HG23  VAL   7          HG23      VAL   7  -6.942   9.050 -13.294
   55    H    ARG   8           H        ARG   8 -10.525  10.405 -11.794
   56    HA   ARG   8           HA       ARG   8 -11.210  12.173 -13.964
   57    HB2  ARG   8           HB2      ARG   8 -13.405  11.418 -13.762
   58    HB3  ARG   8           HB3      ARG   8 -12.421  10.037 -13.307
   59    HG2  ARG   8           HG2      ARG   8 -12.875  10.707 -10.839
   60    HG3  ARG   8           HG3      ARG   8 -14.021  11.860 -11.489
   61    HD2  ARG   8           HD2      ARG   8 -15.299   9.890 -10.993
   62    HD3  ARG   8           HD3      ARG   8 -15.129   9.951 -12.753
   63    HE   ARG   8           HE       ARG   8 -13.031   8.428 -11.429
   64   HH11  ARG   8          HH11      ARG   8 -16.408   8.186 -12.512
   65   HH12  ARG   8          HH12      ARG   8 -16.386   6.483 -12.706
   66   HH21  ARG   8          HH21      ARG   8 -13.040   6.251 -11.451
   67   HH22  ARG   8          HH22      ARG   8 -14.310   5.290 -12.174
   68    H    VAL   9           H        VAL   9 -12.773  13.916 -13.858
   69    HA   VAL   9           HA       VAL   9 -11.877  16.000 -12.250
   70    HB   VAL   9           HB       VAL   9 -13.840  17.255 -13.084
   71   HG11  VAL   9          HG11      VAL   9 -12.451  15.595 -15.234
   72   HG12  VAL   9          HG12      VAL   9 -13.204  17.188 -15.426
   73   HG13  VAL   9          HG13      VAL   9 -11.762  17.016 -14.418
   74   HG21  VAL   9          HG21      VAL   9 -15.571  15.530 -13.118
   75   HG22  VAL   9          HG22      VAL   9 -15.367  16.239 -14.718
   76   HG23  VAL   9          HG23      VAL   9 -14.698  14.631 -14.384
   77    HA   PRO  10           HA       PRO  10 -13.466  15.157  -8.344
   78    HB2  PRO  10           HB2      PRO  10 -14.244  17.585  -7.236
   79    HB3  PRO  10           HB3      PRO  10 -12.559  17.045  -7.443
   80    HG2  PRO  10           HG2      PRO  10 -14.183  18.879  -9.220
   81    HG3  PRO  10           HG3      PRO  10 -12.457  19.046  -8.708
   82    HD2  PRO  10           HD2      PRO  10 -13.188  18.099 -11.149
   83    HD3  PRO  10           HD3      PRO  10 -11.751  17.490 -10.293
   84    H    GLU  11           H        GLU  11 -15.711  17.160 -10.248
   85    HA   GLU  11           HA       GLU  11 -18.076  16.533  -8.743
   86    HB2  GLU  11           HB2      GLU  11 -17.578  17.511 -11.572
   87    HB3  GLU  11           HB3      GLU  11 -19.194  17.366 -10.863
   88    HG2  GLU  11           HG2      GLU  11 -16.929  19.137  -9.830
   89    HG3  GLU  11           HG3      GLU  11 -18.309  19.677 -10.772
   90    H    GLN  12           H        GLN  12 -16.223  14.622 -11.043
   91    HA   GLN  12           HA       GLN  12 -18.559  12.921 -11.663
   92    HB2  GLN  12           HB2      GLN  12 -16.931  13.663 -13.464
   93    HB3  GLN  12           HB3      GLN  12 -15.708  12.657 -12.700
   94    HG2  GLN  12           HG2      GLN  12 -16.648  11.385 -14.480
   95    HG3  GLN  12           HG3      GLN  12 -17.316  10.683 -13.008
   96   HE21  GLN  12          HE22      GLN  12 -18.066  12.952 -15.723
   97   HE22  GLN  12          HE21      GLN  12 -19.793  12.724 -15.643
   98    H    TYR  13           H        TYR  13 -15.460  13.032  -9.873
   99    HA   TYR  13           HA       TYR  13 -15.399  10.371  -8.931
  100    HB2  TYR  13           HB2      TYR  13 -13.473  11.545  -8.487
  101    HB3  TYR  13           HB3      TYR  13 -14.319  13.009  -8.036
  102    HD1  TYR  13           HD1      TYR  13 -13.427   9.581  -6.769
  103    HD2  TYR  13           HD2      TYR  13 -14.782  13.566  -5.794
  104    HE1  TYR  13           HE1      TYR  13 -13.006   9.138  -4.391
  105    HE2  TYR  13           HE2      TYR  13 -14.444  13.092  -3.387
  106    HH   TYR  13           HH       TYR  13 -13.160   9.945  -2.206
  107    H    GLN  14           H        GLN  14 -17.141  13.234  -7.665
  108    HA   GLN  14           HA       GLN  14 -18.285  11.957  -5.401
  109    HB2  GLN  14           HB2      GLN  14 -19.161  14.292  -7.136
  110    HB3  GLN  14           HB3      GLN  14 -20.078  13.789  -5.713
  111    HG2  GLN  14           HG2      GLN  14 -18.311  14.296  -4.209
  112    HG3  GLN  14           HG3      GLN  14 -17.109  14.387  -5.493
  113   HE21  GLN  14          HE22      GLN  14 -16.893  16.242  -6.724
  114   HE22  GLN  14          HE21      GLN  14 -17.826  17.718  -6.504
  115    H    GLN  15           H        GLN  15 -19.144  11.637  -8.848
  116    HA   GLN  15           HA       GLN  15 -21.804  10.593  -8.240
  117    HB2  GLN  15           HB2      GLN  15 -20.277  10.234 -10.842
  118    HB3  GLN  15           HB3      GLN  15 -22.000  10.040 -10.549
  119    HG2  GLN  15           HG2      GLN  15 -20.394  12.585 -10.674
  120    HG3  GLN  15           HG3      GLN  15 -21.734  12.116 -11.693
  121   HE21  GLN  15          HE22      GLN  15 -20.929  14.293  -9.432
  122   HE22  GLN  15          HE21      GLN  15 -22.469  14.520  -8.612
  123    H    GLU  16           H        GLU  16 -18.595   9.147  -9.240
  124    HA   GLU  16           HA       GLU  16 -18.990   6.943  -7.466
  125    HB2  GLU  16           HB2      GLU  16 -20.556   6.230  -9.268
  126    HB3  GLU  16           HB3      GLU  16 -19.252   6.336 -10.456
  127    HG2  GLU  16           HG2      GLU  16 -18.145   4.448  -9.565
  128    HG3  GLU  16           HG3      GLU  16 -18.948   4.600  -7.999
  129    H    HIS  17           H        HIS  17 -17.045   5.654  -7.297
  130    HA   HIS  17           HA       HIS  17 -14.950   5.862  -9.268
  131    HB2  HIS  17           HB2      HIS  17 -13.203   6.715  -7.949
  132    HB3  HIS  17           HB3      HIS  17 -14.516   7.863  -7.772
  133    HD1  HIS  17           HD1      HIS  17 -16.098   6.792  -5.317
  134    HD2  HIS  17           HD2      HIS  17 -11.908   6.509  -5.730
  135    HE1  HIS  17           HE1      HIS  17 -15.142   6.608  -2.959
  136    H    VAL  18           H        VAL  18 -13.080   4.353  -8.553
  137    HA   VAL  18           HA       VAL  18 -14.156   1.802  -7.767
  138    HB   VAL  18           HB       VAL  18 -11.255   2.698  -8.059
  139   HG11  VAL  18          HG11      VAL  18 -11.441   0.513  -6.947
  140   HG12  VAL  18          HG12      VAL  18 -12.535  -0.064  -8.221
  141   HG13  VAL  18          HG13      VAL  18 -10.832   0.304  -8.587
  142   HG21  VAL  18          HG21      VAL  18 -12.485   3.162 -10.168
  143   HG22  VAL  18          HG22      VAL  18 -11.394   1.803 -10.367
  144   HG23  VAL  18          HG23      VAL  18 -13.135   1.507 -10.160
  145    H    GLN  19           H        GLN  19 -13.937   0.687  -5.789
  146    HA   GLN  19           HA       GLN  19 -13.733   2.300  -3.399
  147    HB2  GLN  19           HB2      GLN  19 -14.054  -0.668  -3.975
  148    HB3  GLN  19           HB3      GLN  19 -13.677  -0.121  -2.342
  149    HG2  GLN  19           HG2      GLN  19 -15.634   1.407  -2.386
  150    HG3  GLN  19           HG3      GLN  19 -16.074   0.769  -3.975
  151   HE21  GLN  19          HE22      GLN  19 -15.292  -0.417  -0.615
  152   HE22  GLN  19          HE21      GLN  19 -16.529  -1.645  -0.606
  153    H    GLY  20           H        GLY  20 -12.288   1.871  -1.586
  154    HA2  GLY  20           HA2      GLY  20 -10.296   1.521  -0.550
  155    HA3  GLY  20           HA3      GLY  20  -9.896   0.350  -1.818
  156    H    ALA  21           H        ALA  21 -10.559   3.876  -2.154
  157    HA   ALA  21           HA       ALA  21  -7.801   4.348  -3.154
  158    HB1  ALA  21           HB1      ALA  21  -9.229   3.570  -5.037
  159    HB2  ALA  21           HB2      ALA  21 -10.413   4.842  -4.652
  160    HB3  ALA  21           HB3      ALA  21  -8.794   5.285  -5.210
  161    H    ILE  22           H        ILE  22  -7.775   6.682  -4.002
  162    HA   ILE  22           HA       ILE  22  -9.391   8.590  -2.425
  163    HB   ILE  22           HB       ILE  22  -7.063   8.289  -1.462
  164   HG12  ILE  22          HG12      ILE  22  -7.696  11.082  -2.495
  165   HG13  ILE  22          HG13      ILE  22  -8.373  10.317  -1.053
  166   HG21  ILE  22          HG21      ILE  22  -5.112   9.119  -2.607
  167   HG22  ILE  22          HG22      ILE  22  -5.896   7.967  -3.674
  168   HG23  ILE  22          HG23      ILE  22  -6.084   9.713  -3.965
  169   HD11  ILE  22          HD11      ILE  22  -6.599  11.814  -0.392
  170   HD12  ILE  22          HD12      ILE  22  -6.027  10.152  -0.132
  171   HD13  ILE  22          HD13      ILE  22  -5.464  11.087  -1.542
  172    H    ASN  23           H        ASN  23  -9.045  10.861  -3.736
  173    HA   ASN  23           HA       ASN  23  -8.797  10.303  -6.631
  174    HB2  ASN  23           HB2      ASN  23 -11.106  10.351  -6.436
  175    HB3  ASN  23           HB3      ASN  23 -11.096  11.625  -5.206
  176   HD21  ASN  23          HD22      ASN  23  -9.931  11.285  -8.679
  177   HD22  ASN  23          HD21      ASN  23 -10.734  12.759  -9.187
  178    H    ILE  24           H        ILE  24  -7.607  11.724  -7.656
  179    HA   ILE  24           HA       ILE  24  -7.024  14.355  -6.470
  180    HB   ILE  24           HB       ILE  24  -4.755  12.657  -7.548
  181   HG12  ILE  24          HG12      ILE  24  -5.468  13.048  -4.607
  182   HG13  ILE  24          HG13      ILE  24  -5.523  11.523  -5.471
  183   HG21  ILE  24          HG21      ILE  24  -4.817  15.231  -7.492
  184   HG22  ILE  24          HG22      ILE  24  -4.782  15.103  -5.738
  185   HG23  ILE  24          HG23      ILE  24  -3.419  14.477  -6.703
  186   HD11  ILE  24          HD11      ILE  24  -3.048  11.718  -5.892
  187   HD12  ILE  24          HD12      ILE  24  -3.036  13.137  -4.817
  188   HD13  ILE  24          HD13      ILE  24  -3.514  11.552  -4.189
  189    HA   PRO  25           HA       PRO  25  -8.781  14.072 -10.687
  190    HB2  PRO  25           HB2      PRO  25  -9.130  17.029 -10.225
  191    HB3  PRO  25           HB3      PRO  25 -10.275  15.837 -10.893
  192    HG2  PRO  25           HG2      PRO  25 -10.463  16.769  -8.324
  193    HG3  PRO  25           HG3      PRO  25 -10.846  15.067  -8.743
  194    HD2  PRO  25           HD2      PRO  25  -8.353  16.210  -7.488
  195    HD3  PRO  25           HD3      PRO  25  -9.187  14.675  -7.138
  196    H    LEU  26           H        LEU  26  -7.914  14.538 -12.716
  197    HA   LEU  26           HA       LEU  26  -5.399  15.600 -13.202
  198    HB2  LEU  26           HB2      LEU  26  -6.620  14.359 -14.846
  199    HB3  LEU  26           HB3      LEU  26  -7.928  15.552 -14.877
  200    HG   LEU  26           HG       LEU  26  -6.336  17.221 -15.878
  201   HD11  LEU  26          HD11      LEU  26  -4.196  16.204 -15.068
  202   HD12  LEU  26          HD12      LEU  26  -4.471  14.805 -16.131
  203   HD13  LEU  26          HD13      LEU  26  -4.212  16.436 -16.810
  204   HD21  LEU  26          HD21      LEU  26  -7.894  15.770 -17.220
  205   HD22  LEU  26          HD22      LEU  26  -6.472  16.343 -18.086
  206   HD23  LEU  26          HD23      LEU  26  -6.527  14.672 -17.493
  207    H    LYS  27           H        LYS  27  -8.437  17.416 -12.818
  208    HA   LYS  27           HA       LYS  27  -7.674  19.937 -13.734
  209    HB2  LYS  27           HB2      LYS  27  -9.957  19.152 -13.055
  210    HB3  LYS  27           HB3      LYS  27  -9.475  19.283 -11.356
  211    HG2  LYS  27           HG2      LYS  27  -9.152  21.711 -11.615
  212    HG3  LYS  27           HG3      LYS  27  -9.500  21.590 -13.352
  213    HD2  LYS  27           HD2      LYS  27 -11.798  20.806 -12.828
  214    HD3  LYS  27           HD3      LYS  27 -11.439  20.921 -11.089
  215    HE2  LYS  27           HE2      LYS  27 -10.984  23.352 -11.349
  216    HE3  LYS  27           HE3      LYS  27 -11.332  23.238 -13.078
  217    HZ1  LYS  27           HZ1      LYS  27 -13.608  22.612 -12.513
  218    HZ2  LYS  27           HZ2      LYS  27 -13.288  22.721 -10.911
  219    HZ3  LYS  27           HZ3      LYS  27 -13.236  24.050 -11.849
  220    H    GLU  28           H        GLU  28  -6.650  18.342 -10.734
  221    HA   GLU  28           HA       GLU  28  -5.181  20.796  -9.912
  222    HB2  GLU  28           HB2      GLU  28  -5.994  20.357  -7.574
  223    HB3  GLU  28           HB3      GLU  28  -7.212  20.945  -8.698
  224    HG2  GLU  28           HG2      GLU  28  -8.291  18.815  -8.852
  225    HG3  GLU  28           HG3      GLU  28  -6.910  17.981  -8.118
  226    H    VAL  29           H        VAL  29  -4.828  17.603 -10.719
  227    HA   VAL  29           HA       VAL  29  -3.633  16.401  -8.623
  228    HB   VAL  29           HB       VAL  29  -4.327  15.294 -10.672
  229   HG11  VAL  29          HG11      VAL  29  -3.358  16.881 -12.345
  230   HG12  VAL  29          HG12      VAL  29  -1.746  16.228 -11.976
  231   HG13  VAL  29          HG13      VAL  29  -3.003  15.179 -12.662
  232   HG21  VAL  29          HG21      VAL  29  -2.854  14.079  -9.123
  233   HG22  VAL  29          HG22      VAL  29  -2.673  13.558 -10.803
  234   HG23  VAL  29          HG23      VAL  29  -1.443  14.607 -10.073
  235    H    LYS  30           H        LYS  30  -1.876  18.621 -10.784
  236    HA   LYS  30           HA       LYS  30   0.730  18.005  -9.876
  237    HB2  LYS  30           HB2      LYS  30  -0.403  20.686 -10.788
  238    HB3  LYS  30           HB3      LYS  30   1.314  20.308 -10.616
  239    HG2  LYS  30           HG2      LYS  30   1.114  18.532 -12.341
  240    HG3  LYS  30           HG3      LYS  30  -0.604  18.928 -12.549
  241    HD2  LYS  30           HD2      LYS  30   0.002  21.243 -13.205
  242    HD3  LYS  30           HD3      LYS  30   1.723  20.850 -13.004
  243    HE2  LYS  30           HE2      LYS  30   1.540  19.115 -14.761
  244    HE3  LYS  30           HE3      LYS  30  -0.183  19.476 -14.953
  245    HZ1  LYS  30           HZ1      LYS  30   0.434  21.711 -15.676
  246    HZ2  LYS  30           HZ2      LYS  30   2.024  21.381 -15.499
  247    HZ3  LYS  30           HZ3      LYS  30   1.149  20.603 -16.630
  248    H    GLU  31           H        GLU  31  -1.829  19.834  -8.249
  249    HA   GLU  31           HA       GLU  31  -0.019  21.215  -6.447
  250    HB2  GLU  31           HB2      GLU  31  -2.323  21.976  -7.349
  251    HB3  GLU  31           HB3      GLU  31  -3.033  20.836  -6.211
  252    HG2  GLU  31           HG2      GLU  31  -3.098  23.045  -5.272
  253    HG3  GLU  31           HG3      GLU  31  -1.976  22.091  -4.324
  254    H    ARG  32           H        ARG  32  -1.379  18.021  -6.549
  255    HA   ARG  32           HA       ARG  32  -1.097  17.711  -3.568
  256    HB2  ARG  32           HB2      ARG  32  -3.196  16.742  -5.518
  257    HB3  ARG  32           HB3      ARG  32  -2.942  15.922  -3.970
  258    HG2  ARG  32           HG2      ARG  32  -3.453  17.959  -2.732
  259    HG3  ARG  32           HG3      ARG  32  -3.551  18.896  -4.233
  260    HD2  ARG  32           HD2      ARG  32  -5.797  18.432  -3.511
  261    HD3  ARG  32           HD3      ARG  32  -5.459  17.503  -4.979
  262    HE   ARG  32           HE       ARG  32  -5.004  16.090  -2.442
  263   HH11  ARG  32          HH11      ARG  32  -7.494  16.863  -4.893
  264   HH12  ARG  32          HH12      ARG  32  -8.331  15.348  -4.652
  265   HH21  ARG  32          HH21      ARG  32  -6.244  14.148  -2.108
  266   HH22  ARG  32          HH22      ARG  32  -7.570  13.798  -3.177
  267    H    ILE  33           H        ILE  33  -0.624  16.042  -6.749
  268    HA   ILE  33           HA       ILE  33  -0.156  13.567  -5.569
  269    HB   ILE  33           HB       ILE  33  -0.648  13.924  -7.931
  270   HG12  ILE  33          HG12      ILE  33   0.789  12.165  -8.883
  271   HG13  ILE  33          HG13      ILE  33   1.882  12.285  -7.512
  272   HG21  ILE  33          HG21      ILE  33   1.003  15.837  -8.338
  273   HG22  ILE  33          HG22      ILE  33   2.271  14.603  -8.441
  274   HG23  ILE  33          HG23      ILE  33   0.924  14.616  -9.594
  275   HD11  ILE  33          HD11      ILE  33   0.108  11.462  -6.012
  276   HD12  ILE  33          HD12      ILE  33  -1.056  11.489  -7.363
  277   HD13  ILE  33          HD13      ILE  33   0.316  10.363  -7.379
  278    H    ALA  34           H        ALA  34   2.148  16.202  -6.092
  279    HA   ALA  34           HA       ALA  34   4.528  14.848  -5.429
  280    HB1  ALA  34           HB1      ALA  34   4.419  17.061  -6.530
  281    HB2  ALA  34           HB2      ALA  34   3.789  17.779  -5.025
  282    HB3  ALA  34           HB3      ALA  34   5.433  17.112  -5.079
  283    H    THR  35           H        THR  35   1.913  15.434  -3.313
  284    HA   THR  35           HA       THR  35   3.676  15.164  -0.920
  285    HB   THR  35           HB       THR  35   0.994  16.588  -1.061
  286    HG1  THR  35           HG1      THR  35   2.096  18.478  -1.247
  287   HG21  THR  35          HG21      THR  35   1.768  17.643   1.055
  288   HG22  THR  35          HG22      THR  35   1.669  15.885   1.209
  289   HG23  THR  35          HG23      THR  35   3.253  16.663   0.999
  290    H    ALA  36           H        ALA  36   0.630  14.209  -2.566
  291    HA   ALA  36           HA       ALA  36  -0.220  12.325  -0.581
  292    HB1  ALA  36           HB1      ALA  36  -0.723  12.392  -3.593
  293    HB2  ALA  36           HB2      ALA  36  -1.643  11.462  -2.394
  294    HB3  ALA  36           HB3      ALA  36  -1.693  13.238  -2.363
  295    H    VAL  37           H        VAL  37   1.973  12.109  -3.419
  296    HA   VAL  37           HA       VAL  37   3.020   9.525  -2.430
  297    HB   VAL  37           HB       VAL  37   2.334  10.015  -5.362
  298   HG11  VAL  37          HG11      VAL  37   2.821   7.590  -5.556
  299   HG12  VAL  37          HG12      VAL  37   4.227   8.462  -4.943
  300   HG13  VAL  37          HG13      VAL  37   3.215   7.520  -3.828
  301   HG21  VAL  37          HG21      VAL  37   0.201   9.758  -4.234
  302   HG22  VAL  37          HG22      VAL  37   0.589   8.261  -5.080
  303   HG23  VAL  37          HG23      VAL  37   0.803   8.363  -3.318
  304    HA   PRO  38           HA       PRO  38   5.890  13.026  -3.357
  305    HB2  PRO  38           HB2      PRO  38   7.639  12.763  -1.244
  306    HB3  PRO  38           HB3      PRO  38   6.063  13.600  -1.135
  307    HG2  PRO  38           HG2      PRO  38   6.721  10.759  -0.324
  308    HG3  PRO  38           HG3      PRO  38   5.783  11.987   0.583
  309    HD2  PRO  38           HD2      PRO  38   4.580  10.040  -0.909
  310    HD3  PRO  38           HD3      PRO  38   3.890  11.683  -0.783
  311    H    ASP  39           H        ASP  39   6.788   9.663  -2.504
  312    HA   ASP  39           HA       ASP  39   9.411   9.800  -3.726
  313    HB2  ASP  39           HB2      ASP  39   9.053   8.197  -1.963
  314    HB3  ASP  39           HB3      ASP  39   7.692   7.463  -2.826
  315    H    LYS  40           H        LYS  40   9.693   9.988  -5.861
  316    HA   LYS  40           HA       LYS  40   7.635   9.505  -7.785
  317    HB2  LYS  40           HB2      LYS  40  10.625   9.762  -8.303
  318    HB3  LYS  40           HB3      LYS  40   9.320  10.048  -9.443
  319    HG2  LYS  40           HG2      LYS  40  10.059  11.733  -7.031
  320    HG3  LYS  40           HG3      LYS  40  10.196  12.172  -8.733
  321    HD2  LYS  40           HD2      LYS  40   7.736  12.140  -8.967
  322    HD3  LYS  40           HD3      LYS  40   7.556  11.693  -7.266
  323    HE2  LYS  40           HE2      LYS  40   8.746  14.292  -8.305
  324    HE3  LYS  40           HE3      LYS  40   7.131  14.066  -7.622
  325    HZ1  LYS  40           HZ1      LYS  40   8.269  13.320  -5.532
  326    HZ2  LYS  40           HZ2      LYS  40   9.694  13.803  -6.174
  327    HZ3  LYS  40           HZ3      LYS  40   8.522  14.900  -5.912
  328    H    ASN  41           H        ASN  41   9.914   7.321  -6.327
  329    HA   ASN  41           HA       ASN  41   9.856   5.370  -8.494
  330    HB2  ASN  41           HB2      ASN  41  11.762   4.995  -7.369
  331    HB3  ASN  41           HB3      ASN  41  11.173   5.634  -5.857
  332   HD21  ASN  41          HD22      ASN  41   9.957   4.285  -4.391
  333   HD22  ASN  41          HD21      ASN  41  10.126   2.536  -4.490
  334    H    ASP  42           H        ASP  42   7.621   6.235  -5.903
  335    HA   ASP  42           HA       ASP  42   6.664   3.527  -5.513
  336    HB2  ASP  42           HB2      ASP  42   6.558   5.444  -3.829
  337    HB3  ASP  42           HB3      ASP  42   5.193   6.066  -4.767
  338    H    THR  43           H        THR  43   4.614   2.634  -6.224
  339    HA   THR  43           HA       THR  43   4.141   3.319  -8.978
  340    HB   THR  43           HB       THR  43   2.483   1.382  -7.373
  341    HG1  THR  43           HG1      THR  43   4.365   0.686  -6.754
  342   HG21  THR  43          HG21      THR  43   2.534   0.030  -9.422
  343   HG22  THR  43          HG22      THR  43   1.893   1.643  -9.757
  344   HG23  THR  43          HG23      THR  43   3.563   1.243 -10.215
  345    H    VAL  44           H        VAL  44   2.202   4.117  -9.953
  346    HA   VAL  44           HA       VAL  44   0.167   5.257  -8.083
  347    HB   VAL  44           HB       VAL  44   1.096   6.744 -10.556
  348   HG11  VAL  44          HG11      VAL  44   0.082   8.641  -9.449
  349   HG12  VAL  44          HG12      VAL  44  -1.085   7.312  -9.389
  350   HG13  VAL  44          HG13      VAL  44  -0.136   7.719  -7.948
  351   HG21  VAL  44          HG21      VAL  44   3.151   6.607  -9.278
  352   HG22  VAL  44          HG22      VAL  44   2.467   8.219  -9.088
  353   HG23  VAL  44          HG23      VAL  44   2.297   7.029  -7.778
  354    H    LYS  45           H        LYS  45  -1.499   3.842  -8.467
  355    HA   LYS  45           HA       LYS  45  -2.149   2.925 -11.197
  356    HB2  LYS  45           HB2      LYS  45  -3.664   2.753  -8.553
  357    HB3  LYS  45           HB3      LYS  45  -4.194   2.012 -10.047
  358    HG2  LYS  45           HG2      LYS  45  -1.550   1.301  -8.689
  359    HG3  LYS  45           HG3      LYS  45  -3.083   0.528  -8.300
  360    HD2  LYS  45           HD2      LYS  45  -3.345  -0.191 -10.662
  361    HD3  LYS  45           HD3      LYS  45  -1.751   0.508 -11.043
  362    HE2  LYS  45           HE2      LYS  45  -0.664  -0.986  -9.439
  363    HE3  LYS  45           HE3      LYS  45  -2.228  -1.584  -8.869
  364    HZ1  LYS  45           HZ1      LYS  45  -1.173  -3.115 -10.421
  365    HZ2  LYS  45           HZ2      LYS  45  -2.584  -2.580 -11.039
  366    HZ3  LYS  45           HZ3      LYS  45  -1.162  -1.992 -11.611
  367    H    VAL  46           H        VAL  46  -3.241   4.286 -12.570
  368    HA   VAL  46           HA       VAL  46  -5.021   6.365 -11.387
  369    HB   VAL  46           HB       VAL  46  -4.384   7.859 -13.247
  370   HG11  VAL  46          HG11      VAL  46  -2.317   8.651 -12.251
  371   HG12  VAL  46          HG12      VAL  46  -3.386   8.059 -10.966
  372   HG13  VAL  46          HG13      VAL  46  -2.013   7.068 -11.510
  373   HG21  VAL  46          HG21      VAL  46  -2.305   7.532 -14.493
  374   HG22  VAL  46          HG22      VAL  46  -2.052   5.948 -13.731
  375   HG23  VAL  46          HG23      VAL  46  -3.412   6.201 -14.839
  376    H    TYR  47           H        TYR  47  -6.973   6.696 -12.382
  377    HA   TYR  47           HA       TYR  47  -7.776   5.431 -14.842
  378    HB2  TYR  47           HB2      TYR  47  -9.519   4.003 -13.666
  379    HB3  TYR  47           HB3      TYR  47  -7.867   3.407 -13.628
  380    HD1  TYR  47           HD1      TYR  47 -10.617   4.805 -11.600
  381    HD2  TYR  47           HD2      TYR  47  -6.519   3.443 -11.550
  382    HE1  TYR  47           HE1      TYR  47 -10.606   4.925  -9.140
  383    HE2  TYR  47           HE2      TYR  47  -6.468   3.674  -9.093
  384    HH   TYR  47           HH       TYR  47  -9.330   4.742  -7.226
  385    H    CYS  48           H        CYS  48 -10.068   6.042 -15.261
  386    HA   CYS  48           HA       CYS  48 -11.389   7.957 -13.549
  387    HB2  CYS  48           HB2      CYS  48 -11.000   9.918 -15.030
  388    HB3  CYS  48           HB3      CYS  48  -9.492   9.335 -14.347
  389    HG   CYS  48           HG       CYS  48 -10.799   8.980 -17.363
  390    H    ASN  49           H        ASN  49 -12.890   9.304 -15.424
  391    HA   ASN  49           HA       ASN  49 -14.528   7.257 -16.718
  392    HB2  ASN  49           HB2      ASN  49 -15.618   9.294 -15.893
  393    HB3  ASN  49           HB3      ASN  49 -14.522  10.310 -16.847
  394   HD21  ASN  49          HD22      ASN  49 -16.898   7.580 -17.301
  395   HD22  ASN  49          HD21      ASN  49 -17.463   8.150 -18.844
  396    H    ALA  50           H        ALA  50 -14.280   6.554 -18.765
  397    HA   ALA  50           HA       ALA  50 -13.390   6.062 -20.734
  398    HB1  ALA  50           HB1      ALA  50 -14.788   8.026 -21.273
  399    HB2  ALA  50           HB2      ALA  50 -13.363   9.079 -21.109
  400    HB3  ALA  50           HB3      ALA  50 -13.425   7.850 -22.389
  401    H    GLY  51           H        GLY  51 -11.265   6.723 -18.530
  402    HA2  GLY  51           HA2      GLY  51  -9.009   6.434 -18.391
  403    HA3  GLY  51           HA3      GLY  51  -9.023   5.966 -20.088
  404    H    ARG  52           H        ARG  52 -10.202   8.935 -20.544
  405    HA   ARG  52           HA       ARG  52  -7.742   9.846 -21.584
  406    HB2  ARG  52           HB2      ARG  52 -10.196  11.571 -21.055
  407    HB3  ARG  52           HB3      ARG  52  -8.887  11.905 -22.181
  408    HG2  ARG  52           HG2      ARG  52 -11.043   9.775 -22.423
  409    HG3  ARG  52           HG3      ARG  52 -10.760  11.180 -23.446
  410    HD2  ARG  52           HD2      ARG  52  -8.476  10.116 -24.009
  411    HD3  ARG  52           HD3      ARG  52  -9.097   8.634 -23.277
  412    HE   ARG  52           HE       ARG  52  -9.863   9.910 -25.804
  413   HH11  ARG  52          HH11      ARG  52 -10.854   7.412 -23.438
  414   HH12  ARG  52          HH12      ARG  52 -11.716   6.491 -24.615
  415   HH21  ARG  52          HH21      ARG  52 -11.076   8.702 -27.306
  416   HH22  ARG  52          HH22      ARG  52 -11.887   7.260 -26.832
  417    H    GLN  53           H        GLN  53  -9.251  10.829 -18.522
  418    HA   GLN  53           HA       GLN  53  -7.303  12.865 -18.063
  419    HB2  GLN  53           HB2      GLN  53  -8.915  11.405 -15.923
  420    HB3  GLN  53           HB3      GLN  53  -8.009  12.876 -15.737
  421    HG2  GLN  53           HG2      GLN  53 -10.091  13.770 -15.941
  422    HG3  GLN  53           HG3      GLN  53  -9.581  13.812 -17.637
  423   HE21  GLN  53          HE22      GLN  53 -10.798  12.412 -19.157
  424   HE22  GLN  53          HE21      GLN  53 -12.022  11.280 -18.601
  425    H    SER  54           H        SER  54  -7.207   9.378 -17.730
  426    HA   SER  54           HA       SER  54  -4.867   9.358 -15.955
  427    HB2  SER  54           HB2      SER  54  -6.151   7.113 -17.564
  428    HB3  SER  54           HB3      SER  54  -4.942   6.955 -16.283
  429    HG   SER  54           HG       SER  54  -7.561   8.051 -16.007
  430    H    GLY  55           H        GLY  55  -5.560   8.743 -19.453
  431    HA2  GLY  55           HA2      GLY  55  -2.891   8.298 -20.301
  432    HA3  GLY  55           HA3      GLY  55  -4.194   9.011 -21.278
  433    H    GLN  56           H        GLN  56  -4.767  11.368 -19.893
  434    HA   GLN  56           HA       GLN  56  -2.658  13.076 -20.626
  435    HB2  GLN  56           HB2      GLN  56  -5.097  13.659 -20.518
  436    HB3  GLN  56           HB3      GLN  56  -5.044  13.559 -18.767
  437    HG2  GLN  56           HG2      GLN  56  -4.887  15.890 -19.579
  438    HG3  GLN  56           HG3      GLN  56  -3.450  15.427 -18.671
  439   HE21  GLN  56          HE22      GLN  56  -1.414  15.115 -19.842
  440   HE22  GLN  56          HE21      GLN  56  -1.205  15.845 -21.422
  441    H    ALA  57           H        ALA  57  -3.648  11.808 -17.384
  442    HA   ALA  57           HA       ALA  57  -1.829  13.306 -15.869
  443    HB1  ALA  57           HB1      ALA  57  -2.155  11.621 -14.114
  444    HB2  ALA  57           HB2      ALA  57  -3.687  12.118 -14.848
  445    HB3  ALA  57           HB3      ALA  57  -2.954  10.546 -15.276
  446    H    LYS  58           H        LYS  58  -1.343  10.125 -17.526
  447    HA   LYS  58           HA       LYS  58   1.191   9.532 -16.445
  448    HB2  LYS  58           HB2      LYS  58   0.006   8.985 -19.193
  449    HB3  LYS  58           HB3      LYS  58   1.609   8.415 -18.721
  450    HG2  LYS  58           HG2      LYS  58   0.724   7.081 -16.918
  451    HG3  LYS  58           HG3      LYS  58  -0.891   7.764 -17.109
  452    HD2  LYS  58           HD2      LYS  58  -0.828   5.535 -18.059
  453    HD3  LYS  58           HD3      LYS  58  -1.089   6.725 -19.343
  454    HE2  LYS  58           HE2      LYS  58   1.344   6.608 -19.919
  455    HE3  LYS  58           HE3      LYS  58   1.584   5.412 -18.640
  456    HZ1  LYS  58           HZ1      LYS  58   0.099   3.919 -19.859
  457    HZ2  LYS  58           HZ2      LYS  58  -0.133   5.037 -21.032
  458    HZ3  LYS  58           HZ3      LYS  58   1.338   4.379 -20.808
  459    H    GLU  59           H        GLU  59   0.420  11.824 -19.108
  460    HA   GLU  59           HA       GLU  59   3.156  12.192 -19.875
  461    HB2  GLU  59           HB2      GLU  59   0.746  14.038 -20.188
  462    HB3  GLU  59           HB3      GLU  59   2.300  14.270 -20.981
  463    HG2  GLU  59           HG2      GLU  59   0.456  11.874 -21.387
  464    HG3  GLU  59           HG3      GLU  59   0.593  13.255 -22.461
  465    H    ILE  60           H        ILE  60   0.995  14.238 -17.759
  466    HA   ILE  60           HA       ILE  60   3.124  16.045 -17.161
  467    HB   ILE  60           HB       ILE  60   1.593  16.964 -15.505
  468   HG12  ILE  60          HG12      ILE  60  -0.149  14.574 -16.137
  469   HG13  ILE  60          HG13      ILE  60   0.580  14.958 -14.568
  470   HG21  ILE  60          HG21      ILE  60  -0.077  17.749 -17.077
  471   HG22  ILE  60          HG22      ILE  60   1.424  17.487 -17.965
  472   HG23  ILE  60          HG23      ILE  60   0.105  16.302 -18.085
  473   HD11  ILE  60          HD11      ILE  60  -0.877  16.953 -14.411
  474   HD12  ILE  60          HD12      ILE  60  -1.656  16.470 -15.957
  475   HD13  ILE  60          HD13      ILE  60  -1.767  15.421 -14.545
  476    H    LEU  61           H        LEU  61   1.999  13.045 -15.561
  477    HA   LEU  61           HA       LEU  61   3.615  13.460 -13.211
  478    HB2  LEU  61           HB2      LEU  61   2.411  10.969 -14.463
  479    HB3  LEU  61           HB3      LEU  61   3.270  10.969 -12.920
  480    HG   LEU  61           HG       LEU  61   0.772  12.638 -13.439
  481   HD11  LEU  61          HD11      LEU  61   0.248  10.238 -13.558
  482   HD12  LEU  61          HD12      LEU  61   1.058   9.967 -11.997
  483   HD13  LEU  61          HD13      LEU  61  -0.416  10.957 -12.087
  484   HD21  LEU  61          HD21      LEU  61   0.672  12.838 -11.023
  485   HD22  LEU  61          HD22      LEU  61   2.222  11.974 -10.856
  486   HD23  LEU  61          HD23      LEU  61   2.148  13.569 -11.643
  487    H    SER  62           H        SER  62   4.243  11.930 -16.409
  488    HA   SER  62           HA       SER  62   6.856  10.977 -15.722
  489    HB2  SER  62           HB2      SER  62   5.808  11.920 -18.423
  490    HB3  SER  62           HB3      SER  62   7.264  10.955 -18.134
  491    HG   SER  62           HG       SER  62   4.551  10.254 -17.688
  492    H    GLU  63           H        GLU  63   5.662  14.175 -16.904
  493    HA   GLU  63           HA       GLU  63   8.243  15.367 -17.087
  494    HB2  GLU  63           HB2      GLU  63   6.058  16.203 -18.084
  495    HB3  GLU  63           HB3      GLU  63   5.596  16.746 -16.474
  496    HG2  GLU  63           HG2      GLU  63   6.443  18.630 -17.659
  497    HG3  GLU  63           HG3      GLU  63   7.619  18.226 -16.419
  498    H    MET  64           H        MET  64   5.917  15.107 -14.360
  499    HA   MET  64           HA       MET  64   7.541  16.560 -12.470
  500    HB2  MET  64           HB2      MET  64   5.256  14.584 -12.113
  501    HB3  MET  64           HB3      MET  64   6.037  15.434 -10.778
  502    HG2  MET  64           HG2      MET  64   5.432  17.609 -11.762
  503    HG3  MET  64           HG3      MET  64   4.675  16.800 -13.124
  504    HE1  MET  64           HE1      MET  64   4.510  16.249  -9.122
  505    HE2  MET  64           HE2      MET  64   4.421  17.987  -9.493
  506    HE3  MET  64           HE3      MET  64   3.005  17.147  -8.834
  507    H    GLY  65           H        GLY  65   8.030  13.473 -13.874
  508    HA2  GLY  65           HA2      GLY  65  10.142  12.509 -13.651
  509    HA3  GLY  65           HA3      GLY  65  10.257  13.045 -11.974
  510    H    TYR  66           H        TYR  66   7.162  11.635 -12.482
  511    HA   TYR  66           HA       TYR  66   7.875   9.262 -10.933
  512    HB2  TYR  66           HB2      TYR  66   5.318   9.979 -12.414
  513    HB3  TYR  66           HB3      TYR  66   5.546   8.572 -11.384
  514    HD1  TYR  66           HD1      TYR  66   5.215  12.278 -11.383
  515    HD2  TYR  66           HD2      TYR  66   5.531   8.720  -8.966
  516    HE1  TYR  66           HE1      TYR  66   4.631  13.601  -9.381
  517    HE2  TYR  66           HE2      TYR  66   4.951  10.034  -6.957
  518    HH   TYR  66           HH       TYR  66   4.472  12.136  -6.110
  519    H    THR  67           H        THR  67   8.146   7.193 -11.698
  520    HA   THR  67           HA       THR  67   8.118   6.749 -14.647
  521    HB   THR  67           HB       THR  67  10.177   5.259 -14.047
  522    HG1  THR  67           HG1      THR  67  10.341   5.310 -11.895
  523   HG21  THR  67          HG21      THR  67  10.428   8.293 -13.854
  524   HG22  THR  67          HG22      THR  67  11.706   7.143 -14.301
  525   HG23  THR  67          HG23      THR  67  10.304   7.357 -15.359
  526    H    HIS  68           H        HIS  68   6.324   5.958 -12.114
  527    HA   HIS  68           HA       HIS  68   5.918   3.139 -12.941
  528    HB2  HIS  68           HB2      HIS  68   6.077   4.092 -10.053
  529    HB3  HIS  68           HB3      HIS  68   5.831   2.432 -10.605
  530    HD1  HIS  68           HD1      HIS  68   8.095   1.124 -11.426
  531    HD2  HIS  68           HD2      HIS  68   8.527   5.160 -10.327
  532    HE1  HIS  68           HE1      HIS  68  10.599   1.578 -11.348
  533    H    VAL  69           H        VAL  69   4.495   5.469 -13.701
  534    HA   VAL  69           HA       VAL  69   1.914   5.388 -12.274
  535    HB   VAL  69           HB       VAL  69   2.605   6.666 -14.958
  536   HG11  VAL  69          HG11      VAL  69   0.187   6.366 -14.555
  537   HG12  VAL  69          HG12      VAL  69   0.331   7.183 -12.983
  538   HG13  VAL  69          HG13      VAL  69   0.620   8.073 -14.494
  539   HG21  VAL  69          HG21      VAL  69   2.687   7.938 -12.185
  540   HG22  VAL  69          HG22      VAL  69   4.065   7.706 -13.288
  541   HG23  VAL  69          HG23      VAL  69   2.774   8.806 -13.735
  542    H    GLU  70           H        GLU  70   0.172   4.101 -13.044
  543    HA   GLU  70           HA       GLU  70   0.522   2.641 -15.596
  544    HB2  GLU  70           HB2      GLU  70   1.412   1.154 -13.829
  545    HB3  GLU  70           HB3      GLU  70  -0.100   1.304 -12.921
  546    HG2  GLU  70           HG2      GLU  70  -1.345   0.230 -14.746
  547    HG3  GLU  70           HG3      GLU  70   0.092   0.233 -15.773
  548    H    ASN  71           H        ASN  71  -1.344   2.862 -16.735
  549    HA   ASN  71           HA       ASN  71  -3.686   3.967 -15.404
  550    HB2  ASN  71           HB2      ASN  71  -3.340   4.784 -17.624
  551    HB3  ASN  71           HB3      ASN  71  -3.237   3.137 -18.279
  552   HD21  ASN  71          HD22      ASN  71  -5.641   4.642 -15.925
  553   HD22  ASN  71          HD21      ASN  71  -7.018   4.242 -16.918
  554    H    ALA  72           H        ALA  72  -4.836   2.603 -14.128
  555    HA   ALA  72           HA       ALA  72  -4.777  -0.263 -14.410
  556    HB1  ALA  72           HB1      ALA  72  -6.470  -0.257 -12.647
  557    HB2  ALA  72           HB2      ALA  72  -5.187   0.902 -12.248
  558    HB3  ALA  72           HB3      ALA  72  -6.755   1.475 -12.872
  559    H    GLY  73           H        GLY  73  -6.884   2.278 -15.723
  560    HA2  GLY  73           HA2      GLY  73  -7.901   1.232 -17.921
  561    HA3  GLY  73           HA3      GLY  73  -8.875   0.350 -16.727
  562    H    GLY  74           H        GLY  74 -10.828   1.336 -17.113
  563    HA2  GLY  74           HA2      GLY  74 -11.135   4.016 -15.962
  564    HA3  GLY  74           HA3      GLY  74 -11.864   3.735 -17.555
  565    H    LEU  75           H        LEU  75 -13.594   4.336 -15.710
  566    HA   LEU  75           HA       LEU  75 -14.402   2.785 -13.678
  567    HB2  LEU  75           HB2      LEU  75 -15.350   4.956 -14.339
  568    HB3  LEU  75           HB3      LEU  75 -16.197   4.234 -15.682
  569    HG   LEU  75           HG       LEU  75 -17.567   4.860 -13.680
  570   HD11  LEU  75          HD11      LEU  75 -18.374   3.209 -15.391
  571   HD12  LEU  75          HD12      LEU  75 -17.891   1.904 -14.282
  572   HD13  LEU  75          HD13      LEU  75 -19.109   3.078 -13.789
  573   HD21  LEU  75          HD21      LEU  75 -16.327   2.431 -12.349
  574   HD22  LEU  75          HD22      LEU  75 -16.051   4.122 -11.883
  575   HD23  LEU  75          HD23      LEU  75 -17.664   3.418 -11.739
  576    H    LYS  76           H        LYS  76 -15.637   2.222 -17.020
  577    HA   LYS  76           HA       LYS  76 -17.263  -0.006 -16.181
  578    HB2  LYS  76           HB2      LYS  76 -17.732   1.495 -18.126
  579    HB3  LYS  76           HB3      LYS  76 -16.347   0.796 -18.982
  580    HG2  LYS  76           HG2      LYS  76 -17.437  -1.423 -18.961
  581    HG3  LYS  76           HG3      LYS  76 -18.786  -0.766 -18.010
  582    HD2  LYS  76           HD2      LYS  76 -19.349   0.769 -19.876
  583    HD3  LYS  76           HD3      LYS  76 -17.989   0.120 -20.821
  584    HE2  LYS  76           HE2      LYS  76 -19.015  -2.144 -20.731
  585    HE3  LYS  76           HE3      LYS  76 -20.367  -1.498 -19.792
  586    HZ1  LYS  76           HZ1      LYS  76 -20.920  -1.675 -22.131
  587    HZ2  LYS  76           HZ2      LYS  76 -20.938  -0.106 -21.697
  588    HZ3  LYS  76           HZ3      LYS  76 -19.688  -0.704 -22.566
  589    H    ASP  77           H        ASP  77 -13.962   0.281 -17.473
  590    HA   ASP  77           HA       ASP  77 -13.771  -2.488 -18.304
  591    HB2  ASP  77           HB2      ASP  77 -12.479  -0.721 -19.402
  592    HB3  ASP  77           HB3      ASP  77 -11.657  -0.340 -17.886
  593    H    ILE  78           H        ILE  78 -12.755  -0.620 -15.422
  594    HA   ILE  78           HA       ILE  78 -11.141  -2.689 -14.275
  595    HB   ILE  78           HB       ILE  78 -12.469  -0.179 -13.184
  596   HG12  ILE  78          HG12      ILE  78  -9.532  -0.869 -13.706
  597   HG13  ILE  78          HG13      ILE  78 -10.560  -0.059 -14.881
  598   HG21  ILE  78          HG21      ILE  78 -10.569  -2.062 -11.700
  599   HG22  ILE  78          HG22      ILE  78 -11.024  -0.441 -11.153
  600   HG23  ILE  78          HG23      ILE  78 -12.262  -1.671 -11.271
  601   HD11  ILE  78          HD11      ILE  78  -9.728   1.052 -12.185
  602   HD12  ILE  78          HD12      ILE  78  -9.265   1.588 -13.803
  603   HD13  ILE  78          HD13      ILE  78 -10.942   1.801 -13.259
  604    H    ALA  79           H        ALA  79 -11.719  -4.503 -13.215
  605    HA   ALA  79           HA       ALA  79 -14.533  -5.185 -12.977
  606    HB1  ALA  79           HB1      ALA  79 -12.019  -6.738 -12.213
  607    HB2  ALA  79           HB2      ALA  79 -13.661  -7.399 -12.359
  608    HB3  ALA  79           HB3      ALA  79 -12.831  -6.784 -13.799
  609    H    MET  80           H        MET  80 -12.284  -3.723 -10.807
  610    HA   MET  80           HA       MET  80 -13.011  -4.931  -8.349
  611    HB2  MET  80           HB2      MET  80 -11.912  -2.174  -9.005
  612    HB3  MET  80           HB3      MET  80 -12.115  -2.763  -7.357
  613    HG2  MET  80           HG2      MET  80 -10.558  -4.584  -7.731
  614    HG3  MET  80           HG3      MET  80 -10.453  -4.206  -9.450
  615    HE1  MET  80           HE1      MET  80  -9.464  -3.094  -5.802
  616    HE2  MET  80           HE2      MET  80  -8.576  -1.584  -6.102
  617    HE3  MET  80           HE3      MET  80 -10.333  -1.635  -6.336
  618    HA   PRO  81           HA       PRO  81 -16.953  -3.044  -7.242
  619    HB2  PRO  81           HB2      PRO  81 -15.615  -2.466  -4.600
  620    HB3  PRO  81           HB3      PRO  81 -17.222  -3.202  -4.910
  621    HG2  PRO  81           HG2      PRO  81 -15.122  -4.750  -4.199
  622    HG3  PRO  81           HG3      PRO  81 -16.215  -5.283  -5.520
  623    HD2  PRO  81           HD2      PRO  81 -13.514  -3.930  -5.746
  624    HD3  PRO  81           HD3      PRO  81 -14.158  -5.345  -6.637
  625    H    LYS  82           H        LYS  82 -17.922  -0.959  -6.506
  626    HA   LYS  82           HA       LYS  82 -16.129   1.402  -6.632
  627    HB2  LYS  82           HB2      LYS  82 -18.671   1.059  -8.296
  628    HB3  LYS  82           HB3      LYS  82 -17.734   2.527  -8.106
  629    HG2  LYS  82           HG2      LYS  82 -16.871   1.919 -10.071
  630    HG3  LYS  82           HG3      LYS  82 -15.739   1.036  -9.055
  631    HD2  LYS  82           HD2      LYS  82 -17.151  -1.018  -9.350
  632    HD3  LYS  82           HD3      LYS  82 -18.234  -0.102 -10.413
  633    HE2  LYS  82           HE2      LYS  82 -16.508   0.221 -12.061
  634    HE3  LYS  82           HE3      LYS  82 -15.244  -0.297 -10.932
  635    HZ1  LYS  82           HZ1      LYS  82 -17.334  -2.088 -12.011
  636    HZ2  LYS  82           HZ2      LYS  82 -15.758  -2.028 -12.491
  637    HZ3  LYS  82           HZ3      LYS  82 -16.112  -2.490 -10.965
  638    H    VAL  83           H        VAL  83 -17.196   3.364  -5.838
  639    HA   VAL  83           HA       VAL  83 -19.693   3.030  -4.364
  640    HB   VAL  83           HB       VAL  83 -17.998   2.266  -2.800
  641   HG11  VAL  83          HG11      VAL  83 -16.043   3.634  -3.574
  642   HG12  VAL  83          HG12      VAL  83 -16.821   5.068  -2.874
  643   HG13  VAL  83          HG13      VAL  83 -16.302   3.740  -1.823
  644   HG21  VAL  83          HG21      VAL  83 -20.019   3.375  -1.929
  645   HG22  VAL  83          HG22      VAL  83 -18.616   3.429  -0.855
  646   HG23  VAL  83          HG23      VAL  83 -19.069   4.879  -1.753
  647    H    LYS  84           H        LYS  84 -20.268   5.143  -3.385
  648    HA   LYS  84           HA       LYS  84 -19.767   7.312  -5.395
  649    HB2  LYS  84           HB2      LYS  84 -22.457   6.481  -4.225
  650    HB3  LYS  84           HB3      LYS  84 -22.156   7.737  -5.424
  651    HG2  LYS  84           HG2      LYS  84 -21.244   5.867  -6.955
  652    HG3  LYS  84           HG3      LYS  84 -21.888   4.717  -5.779
  653    HD2  LYS  84           HD2      LYS  84 -24.157   5.614  -6.071
  654    HD3  LYS  84           HD3      LYS  84 -23.543   6.892  -7.122
  655    HE2  LYS  84           HE2      LYS  84 -24.662   5.159  -8.404
  656    HE3  LYS  84           HE3      LYS  84 -22.968   5.335  -8.867
  657    HZ1  LYS  84           HZ1      LYS  84 -22.429   3.323  -7.874
  658    HZ2  LYS  84           HZ2      LYS  84 -23.831   3.229  -6.981
  659    HZ3  LYS  84           HZ3      LYS  84 -23.846   3.012  -8.599
  660    H    GLY  85           H        GLY  85 -20.499   9.480  -4.641
  661    HA2  GLY  85           HA2      GLY  85 -19.480  10.213  -2.097
  662    HA3  GLY  85           HA3      GLY  85 -20.511  11.199  -3.151
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1   4.458  -2.217  -4.016
    2    H2   ALA   1           H2       ALA   1   5.555  -1.043  -4.309
    3    H3   ALA   1           H3       ALA   1   5.536  -1.805  -2.850
    4    HA   ALA   1           HA       ALA   1   3.355  -0.907  -2.374
    5    HB1  ALA   1           HB1      ALA   1   5.410   1.239  -3.097
    6    HB2  ALA   1           HB2      ALA   1   4.011   1.443  -2.023
    7    HB3  ALA   1           HB3      ALA   1   5.324   0.351  -1.556
    8    H    GLU   2           H        GLU   2   1.444  -0.040  -3.178
    9    HA   GLU   2           HA       GLU   2   1.493   1.455  -5.685
   10    HB2  GLU   2           HB2      GLU   2  -0.213   0.160  -6.770
   11    HB3  GLU   2           HB3      GLU   2   1.103  -0.939  -6.366
   12    HG2  GLU   2           HG2      GLU   2  -0.212  -1.710  -4.361
   13    HG3  GLU   2           HG3      GLU   2  -1.537  -0.650  -4.854
   14    H    HIS   3           H        HIS   3  -0.477   2.634  -6.008
   15    HA   HIS   3           HA       HIS   3  -2.541   2.586  -3.931
   16    HB2  HIS   3           HB2      HIS   3  -1.023   5.107  -4.745
   17    HB3  HIS   3           HB3      HIS   3  -2.593   5.118  -3.950
   18    HD1  HIS   3           HD1      HIS   3  -2.387   3.468  -1.446
   19    HD2  HIS   3           HD2      HIS   3   0.815   5.694  -3.028
   20    HE1  HIS   3           HE1      HIS   3  -0.799   3.909   0.489
   21    H    TRP   4           H        TRP   4  -4.525   3.466  -4.820
   22    HA   TRP   4           HA       TRP   4  -4.598   3.472  -7.806
   23    HB2  TRP   4           HB2      TRP   4  -6.635   2.602  -5.718
   24    HB3  TRP   4           HB3      TRP   4  -7.036   2.900  -7.394
   25    HD1  TRP   4           HD1      TRP   4  -4.424   0.684  -5.549
   26    HE1  TRP   4           HE1      TRP   4  -4.158  -1.516  -6.785
   27    HE3  TRP   4           HE3      TRP   4  -7.767   1.523  -9.343
   28    HZ2  TRP   4           HZ2      TRP   4  -5.458  -2.878  -9.024
   29    HZ3  TRP   4           HZ3      TRP   4  -8.217  -0.244 -11.018
   30    HH2  TRP   4           HH2      TRP   4  -7.070  -2.442 -10.873
   31    H    ILE   5           H        ILE   5  -4.839   5.470  -8.572
   32    HA   ILE   5           HA       ILE   5  -5.970   7.588  -6.813
   33    HB   ILE   5           HB       ILE   5  -3.817   7.579  -8.958
   34   HG12  ILE   5          HG12      ILE   5  -2.495   8.821  -7.267
   35   HG13  ILE   5          HG13      ILE   5  -3.793   8.658  -6.095
   36   HG21  ILE   5          HG21      ILE   5  -5.201   9.498  -9.495
   37   HG22  ILE   5          HG22      ILE   5  -5.318   9.936  -7.783
   38   HG23  ILE   5          HG23      ILE   5  -3.772  10.092  -8.664
   39   HD11  ILE   5          HD11      ILE   5  -3.404   6.305  -5.888
   40   HD12  ILE   5          HD12      ILE   5  -2.352   6.279  -7.332
   41   HD13  ILE   5          HD13      ILE   5  -1.830   7.097  -5.843
   42    H    ASP   6           H        ASP   6  -7.990   8.109  -7.360
   43    HA   ASP   6           HA       ASP   6  -9.091   7.725 -10.076
   44    HB2  ASP   6           HB2      ASP   6 -10.754   7.605  -8.371
   45    HB3  ASP   6           HB3      ASP   6 -10.041   8.927  -7.448
   46    H    VAL   7           H        VAL   7  -8.829   9.302 -11.630
   47    HA   VAL   7           HA       VAL   7  -7.993  12.018 -10.772
   48    HB   VAL   7           HB       VAL   7  -6.018  10.934 -11.408
   49   HG11  VAL   7          HG11      VAL   7  -7.319  10.095 -14.016
   50   HG12  VAL   7          HG12      VAL   7  -5.584   9.959 -13.638
   51   HG13  VAL   7          HG13      VAL   7  -6.745   9.034 -12.696
   52   HG21  VAL   7          HG21      VAL   7  -5.018  12.195 -13.049
   53   HG22  VAL   7          HG22      VAL   7  -6.569  12.599 -13.793
   54   HG23  VAL   7          HG23      VAL   7  -6.147  13.219 -12.171
   55    H    ARG   8           H        ARG   8 -10.632  10.585 -11.749
   56    HA   ARG   8           HA       ARG   8 -11.324  12.197 -14.084
   57    HB2  ARG   8           HB2      ARG   8 -13.429  11.286 -13.970
   58    HB3  ARG   8           HB3      ARG   8 -12.403   9.993 -13.368
   59    HG2  ARG   8           HG2      ARG   8 -13.087  10.938 -10.982
   60    HG3  ARG   8           HG3      ARG   8 -14.370  11.714 -11.855
   61    HD2  ARG   8           HD2      ARG   8 -13.811   8.713 -11.788
   62    HD3  ARG   8           HD3      ARG   8 -15.115   9.559 -10.952
   63    HE   ARG   8           HE       ARG   8 -15.050   9.888 -13.877
   64   HH11  ARG   8          HH21      ARG   8 -16.574   8.103 -11.176
   65   HH12  ARG   8          HH22      ARG   8 -17.997   7.739 -12.104
   66   HH21  ARG   8          HH11      ARG   8 -17.001   9.532 -14.951
   67   HH22  ARG   8          HH12      ARG   8 -18.160   8.407 -14.309
   68    H    VAL   9           H        VAL   9 -13.055  13.881 -13.970
   69    HA   VAL   9           HA       VAL   9 -12.148  15.992 -12.333
   70    HB   VAL   9           HB       VAL   9 -14.154  17.212 -13.202
   71   HG11  VAL   9          HG11      VAL   9 -12.019  17.100 -14.458
   72   HG12  VAL   9          HG12      VAL   9 -12.609  15.671 -15.332
   73   HG13  VAL   9          HG13      VAL   9 -13.428  17.230 -15.523
   74   HG21  VAL   9          HG21      VAL   9 -15.787  15.368 -13.336
   75   HG22  VAL   9          HG22      VAL   9 -15.601  16.196 -14.883
   76   HG23  VAL   9          HG23      VAL   9 -14.844  14.612 -14.644
   77    HA   PRO  10           HA       PRO  10 -13.977  15.231  -8.492
   78    HB2  PRO  10           HB2      PRO  10 -14.904  17.666  -7.533
   79    HB3  PRO  10           HB3      PRO  10 -13.185  17.174  -7.605
   80    HG2  PRO  10           HG2      PRO  10 -14.736  18.836  -9.615
   81    HG3  PRO  10           HG3      PRO  10 -13.111  19.166  -8.912
   82    HD2  PRO  10           HD2      PRO  10 -13.355  18.054 -11.348
   83    HD3  PRO  10           HD3      PRO  10 -12.113  17.454 -10.213
   84    H    GLU  11           H        GLU  11 -16.176  17.186 -10.570
   85    HA   GLU  11           HA       GLU  11 -18.576  16.380  -9.230
   86    HB2  GLU  11           HB2      GLU  11 -18.047  17.450 -12.025
   87    HB3  GLU  11           HB3      GLU  11 -19.669  17.173 -11.353
   88    HG2  GLU  11           HG2      GLU  11 -19.146  18.741  -9.485
   89    HG3  GLU  11           HG3      GLU  11 -17.566  19.065 -10.201
   90    H    GLN  12           H        GLN  12 -16.478  14.428 -11.049
   91    HA   GLN  12           HA       GLN  12 -18.690  12.526 -11.693
   92    HB2  GLN  12           HB2      GLN  12 -15.912  12.843 -12.893
   93    HB3  GLN  12           HB3      GLN  12 -16.872  11.368 -12.965
   94    HG2  GLN  12           HG2      GLN  12 -18.696  12.567 -14.121
   95    HG3  GLN  12           HG3      GLN  12 -17.695  14.023 -14.136
   96   HE21  GLN  12          HE22      GLN  12 -17.356  14.152 -16.423
   97   HE22  GLN  12          HE21      GLN  12 -16.519  12.913 -17.324
   98    H    TYR  13           H        TYR  13 -15.614  13.026  -9.873
   99    HA   TYR  13           HA       TYR  13 -15.508  10.413  -8.723
  100    HB2  TYR  13           HB2      TYR  13 -13.664  11.901  -8.406
  101    HB3  TYR  13           HB3      TYR  13 -14.682  13.154  -7.726
  102    HD1  TYR  13           HD1      TYR  13 -13.278   9.736  -6.995
  103    HD2  TYR  13           HD2      TYR  13 -15.205  13.270  -5.416
  104    HE1  TYR  13           HE1      TYR  13 -12.871   8.942  -4.703
  105    HE2  TYR  13           HE2      TYR  13 -14.859  12.437  -3.117
  106    HH   TYR  13           HH       TYR  13 -13.981  10.730  -1.788
  107    H    GLN  14           H        GLN  14 -17.324  13.369  -7.815
  108    HA   GLN  14           HA       GLN  14 -18.631  12.278  -5.536
  109    HB2  GLN  14           HB2      GLN  14 -19.349  14.536  -7.450
  110    HB3  GLN  14           HB3      GLN  14 -20.297  14.175  -6.013
  111    HG2  GLN  14           HG2      GLN  14 -17.348  14.936  -5.998
  112    HG3  GLN  14           HG3      GLN  14 -18.682  16.022  -5.650
  113   HE21  GLN  14          HE22      GLN  14 -16.441  15.372  -3.877
  114   HE22  GLN  14          HE21      GLN  14 -17.129  14.639  -2.451
  115    H    GLN  15           H        GLN  15 -18.992  11.222  -8.752
  116    HA   GLN  15           HA       GLN  15 -21.795  10.339  -8.296
  117    HB2  GLN  15           HB2      GLN  15 -20.092  10.123 -10.812
  118    HB3  GLN  15           HB3      GLN  15 -21.765   9.608 -10.611
  119    HG2  GLN  15           HG2      GLN  15 -22.457  11.952 -10.156
  120    HG3  GLN  15           HG3      GLN  15 -20.791  12.490 -10.289
  121   HE21  GLN  15          HE22      GLN  15 -20.723  13.736 -12.088
  122   HE22  GLN  15          HE21      GLN  15 -21.327  13.260 -13.671
  123    H    GLU  16           H        GLU  16 -18.556   8.938  -9.333
  124    HA   GLU  16           HA       GLU  16 -18.609   7.112  -7.160
  125    HB2  GLU  16           HB2      GLU  16 -18.754   4.976  -8.323
  126    HB3  GLU  16           HB3      GLU  16 -20.258   5.841  -8.446
  127    HG2  GLU  16           HG2      GLU  16 -18.167   5.757 -10.654
  128    HG3  GLU  16           HG3      GLU  16 -19.488   4.607 -10.502
  129    H    HIS  17           H        HIS  17 -16.793   5.455  -7.354
  130    HA   HIS  17           HA       HIS  17 -14.832   5.827  -9.411
  131    HB2  HIS  17           HB2      HIS  17 -13.001   6.603  -8.185
  132    HB3  HIS  17           HB3      HIS  17 -14.288   7.720  -7.818
  133    HD1  HIS  17           HD1      HIS  17 -15.650   6.187  -5.339
  134    HD2  HIS  17           HD2      HIS  17 -11.542   6.721  -6.067
  135    HE1  HIS  17           HE1      HIS  17 -14.489   6.026  -3.075
  136    H    VAL  18           H        VAL  18 -12.823   4.250  -8.669
  137    HA   VAL  18           HA       VAL  18 -14.057   1.653  -8.143
  138    HB   VAL  18           HB       VAL  18 -11.138   2.444  -8.523
  139   HG11  VAL  18          HG11      VAL  18 -12.428  -0.300  -8.723
  140   HG12  VAL  18          HG12      VAL  18 -10.731   0.098  -9.062
  141   HG13  VAL  18          HG13      VAL  18 -11.348   0.247  -7.420
  142   HG21  VAL  18          HG21      VAL  18 -13.115   1.281 -10.543
  143   HG22  VAL  18          HG22      VAL  18 -12.495   2.941 -10.562
  144   HG23  VAL  18          HG23      VAL  18 -11.388   1.606 -10.828
  145    H    GLN  19           H        GLN  19 -13.708   0.435  -6.205
  146    HA   GLN  19           HA       GLN  19 -13.539   1.972  -3.803
  147    HB2  GLN  19           HB2      GLN  19 -13.727  -0.099  -2.629
  148    HB3  GLN  19           HB3      GLN  19 -14.798  -0.147  -4.028
  149    HG2  GLN  19           HG2      GLN  19 -13.202  -1.606  -5.231
  150    HG3  GLN  19           HG3      GLN  19 -12.065  -1.481  -3.887
  151   HE21  GLN  19          HE22      GLN  19 -12.121  -3.864  -3.789
  152   HE22  GLN  19          HE21      GLN  19 -13.439  -4.640  -2.954
  153    H    GLY  20           H        GLY  20 -11.973   1.722  -2.030
  154    HA2  GLY  20           HA2      GLY  20  -9.901   1.629  -1.092
  155    HA3  GLY  20           HA3      GLY  20  -9.526   0.353  -2.261
  156    H    ALA  21           H        ALA  21 -10.255   3.845  -2.792
  157    HA   ALA  21           HA       ALA  21  -7.576   4.256  -4.008
  158    HB1  ALA  21           HB1      ALA  21  -9.143   3.570  -5.786
  159    HB2  ALA  21           HB2      ALA  21 -10.293   4.820  -5.257
  160    HB3  ALA  21           HB3      ALA  21  -8.736   5.290  -5.965
  161    H    ILE  22           H        ILE  22  -7.501   6.694  -4.727
  162    HA   ILE  22           HA       ILE  22  -8.705   8.460  -2.657
  163    HB   ILE  22           HB       ILE  22  -6.479   7.882  -1.909
  164   HG12  ILE  22          HG12      ILE  22  -6.530  10.709  -3.059
  165   HG13  ILE  22          HG13      ILE  22  -7.308  10.182  -1.561
  166   HG21  ILE  22          HG21      ILE  22  -5.453   7.212  -4.084
  167   HG22  ILE  22          HG22      ILE  22  -5.380   8.926  -4.547
  168   HG23  ILE  22          HG23      ILE  22  -4.431   8.301  -3.182
  169   HD11  ILE  22          HD11      ILE  22  -5.223  11.301  -1.044
  170   HD12  ILE  22          HD12      ILE  22  -5.043   9.574  -0.659
  171   HD13  ILE  22          HD13      ILE  22  -4.324  10.246  -2.144
  172    H    ASN  23           H        ASN  23  -9.258  10.505  -3.388
  173    HA   ASN  23           HA       ASN  23  -9.567  10.828  -6.293
  174    HB2  ASN  23           HB2      ASN  23 -11.417  11.381  -4.813
  175    HB3  ASN  23           HB3      ASN  23 -10.416  12.480  -3.872
  176   HD21  ASN  23          HD22      ASN  23 -11.357  11.982  -7.413
  177   HD22  ASN  23          HD21      ASN  23 -11.559  13.687  -7.673
  178    H    ILE  24           H        ILE  24  -8.001  11.785  -7.495
  179    HA   ILE  24           HA       ILE  24  -6.762  14.274  -6.528
  180    HB   ILE  24           HB       ILE  24  -5.068  12.105  -7.807
  181   HG12  ILE  24          HG12      ILE  24  -5.199  12.767  -4.839
  182   HG13  ILE  24          HG13      ILE  24  -5.661  11.234  -5.600
  183   HG21  ILE  24          HG21      ILE  24  -4.441  14.497  -8.088
  184   HG22  ILE  24          HG22      ILE  24  -4.251  14.617  -6.327
  185   HG23  ILE  24          HG23      ILE  24  -3.211  13.536  -7.264
  186   HD11  ILE  24          HD11      ILE  24  -2.876  12.371  -5.323
  187   HD12  ILE  24          HD12      ILE  24  -3.540  10.877  -4.637
  188   HD13  ILE  24          HD13      ILE  24  -3.270  11.004  -6.385
  189    HA   PRO  25           HA       PRO  25  -8.907  14.198 -10.686
  190    HB2  PRO  25           HB2      PRO  25  -9.115  17.129  -9.995
  191    HB3  PRO  25           HB3      PRO  25 -10.340  16.048 -10.725
  192    HG2  PRO  25           HG2      PRO  25 -10.472  16.758  -8.097
  193    HG3  PRO  25           HG3      PRO  25 -10.853  15.089  -8.625
  194    HD2  PRO  25           HD2      PRO  25  -8.287  16.141  -7.405
  195    HD3  PRO  25           HD3      PRO  25  -9.143  14.629  -7.058
  196    H    LEU  26           H        LEU  26  -8.088  14.905 -12.739
  197    HA   LEU  26           HA       LEU  26  -5.400  15.741 -12.898
  198    HB2  LEU  26           HB2      LEU  26  -6.459  14.551 -14.653
  199    HB3  LEU  26           HB3      LEU  26  -7.672  15.816 -14.893
  200    HG   LEU  26           HG       LEU  26  -5.840  17.376 -15.674
  201   HD11  LEU  26          HD11      LEU  26  -3.878  16.295 -14.616
  202   HD12  LEU  26          HD12      LEU  26  -4.141  14.837 -15.602
  203   HD13  LEU  26          HD13      LEU  26  -3.673  16.371 -16.366
  204   HD21  LEU  26          HD21      LEU  26  -5.617  16.390 -17.875
  205   HD22  LEU  26          HD22      LEU  26  -6.059  14.792 -17.237
  206   HD23  LEU  26          HD23      LEU  26  -7.247  16.118 -17.262
  207    H    LYS  27           H        LYS  27  -8.312  17.729 -12.580
  208    HA   LYS  27           HA       LYS  27  -7.050  20.247 -13.229
  209    HB2  LYS  27           HB2      LYS  27  -9.529  19.605 -11.563
  210    HB3  LYS  27           HB3      LYS  27  -9.028  21.226 -12.055
  211    HG2  LYS  27           HG2      LYS  27  -9.163  20.532 -14.455
  212    HG3  LYS  27           HG3      LYS  27  -9.810  18.962 -13.944
  213    HD2  LYS  27           HD2      LYS  27 -11.739  20.087 -12.879
  214    HD3  LYS  27           HD3      LYS  27 -11.073  21.672 -13.334
  215    HE2  LYS  27           HE2      LYS  27 -11.177  20.996 -15.741
  216    HE3  LYS  27           HE3      LYS  27 -11.921  19.465 -15.268
  217    HZ1  LYS  27           HZ1      LYS  27 -13.787  20.748 -14.356
  218    HZ2  LYS  27           HZ2      LYS  27 -13.087  22.154 -14.810
  219    HZ3  LYS  27           HZ3      LYS  27 -13.577  21.088 -15.936
  220    H    GLU  28           H        GLU  28  -6.534  18.184 -10.563
  221    HA   GLU  28           HA       GLU  28  -5.742  20.420  -8.733
  222    HB2  GLU  28           HB2      GLU  28  -7.199  17.789  -8.316
  223    HB3  GLU  28           HB3      GLU  28  -6.443  18.628  -6.977
  224    HG2  GLU  28           HG2      GLU  28  -8.505  20.011  -8.749
  225    HG3  GLU  28           HG3      GLU  28  -8.972  18.984  -7.408
  226    H    VAL  29           H        VAL  29  -4.863  17.346 -10.202
  227    HA   VAL  29           HA       VAL  29  -3.257  16.228  -8.362
  228    HB   VAL  29           HB       VAL  29  -4.023  15.255 -10.491
  229   HG11  VAL  29          HG11      VAL  29  -1.676  16.628 -11.840
  230   HG12  VAL  29          HG12      VAL  29  -2.865  15.527 -12.566
  231   HG13  VAL  29          HG13      VAL  29  -3.369  17.131 -12.017
  232   HG21  VAL  29          HG21      VAL  29  -1.037  14.902 -10.073
  233   HG22  VAL  29          HG22      VAL  29  -2.346  14.002  -9.270
  234   HG23  VAL  29          HG23      VAL  29  -2.100  13.824 -11.002
  235    H    LYS  30           H        LYS  30  -2.136  18.838 -10.531
  236    HA   LYS  30           HA       LYS  30   0.612  18.678  -9.895
  237    HB2  LYS  30           HB2      LYS  30  -1.088  21.110 -10.610
  238    HB3  LYS  30           HB3      LYS  30   0.679  21.083 -10.589
  239    HG2  LYS  30           HG2      LYS  30   0.703  19.327 -12.332
  240    HG3  LYS  30           HG3      LYS  30  -1.073  19.352 -12.390
  241    HD2  LYS  30           HD2      LYS  30  -1.025  21.740 -13.055
  242    HD3  LYS  30           HD3      LYS  30   0.751  21.719 -13.006
  243    HE2  LYS  30           HE2      LYS  30   0.783  19.966 -14.758
  244    HE3  LYS  30           HE3      LYS  30  -0.987  19.964 -14.802
  245    HZ1  LYS  30           HZ1      LYS  30   0.732  22.273 -15.518
  246    HZ2  LYS  30           HZ2      LYS  30  -0.064  21.322 -16.574
  247    HZ3  LYS  30           HZ3      LYS  30  -0.902  22.274 -15.554
  248    H    GLU  31           H        GLU  31  -2.025  19.833  -7.897
  249    HA   GLU  31           HA       GLU  31  -0.128  21.170  -6.028
  250    HB2  GLU  31           HB2      GLU  31  -3.145  21.456  -6.355
  251    HB3  GLU  31           HB3      GLU  31  -2.144  22.356  -5.222
  252    HG2  GLU  31           HG2      GLU  31  -2.054  22.540  -8.261
  253    HG3  GLU  31           HG3      GLU  31  -2.712  23.730  -7.149
  254    H    ARG  32           H        ARG  32  -1.447  18.160  -6.426
  255    HA   ARG  32           HA       ARG  32  -1.963  17.811  -3.496
  256    HB2  ARG  32           HB2      ARG  32  -4.047  18.111  -4.905
  257    HB3  ARG  32           HB3      ARG  32  -3.639  16.613  -5.728
  258    HG2  ARG  32           HG2      ARG  32  -3.673  15.482  -3.422
  259    HG3  ARG  32           HG3      ARG  32  -4.260  17.005  -2.759
  260    HD2  ARG  32           HD2      ARG  32  -5.670  15.238  -4.804
  261    HD3  ARG  32           HD3      ARG  32  -6.065  15.388  -3.096
  262    HE   ARG  32           HE       ARG  32  -6.217  17.966  -4.296
  263   HH11  ARG  32          HH11      ARG  32  -7.992  14.855  -4.240
  264   HH12  ARG  32          HH12      ARG  32  -9.510  15.561  -4.633
  265   HH21  ARG  32          HH21      ARG  32  -8.270  18.899  -4.877
  266   HH22  ARG  32          HH22      ARG  32  -9.683  17.901  -4.864
  267    H    ILE  33           H        ILE  33  -0.873  16.167  -6.556
  268    HA   ILE  33           HA       ILE  33  -0.657  13.656  -5.305
  269    HB   ILE  33           HB       ILE  33  -0.666  13.998  -7.736
  270   HG12  ILE  33          HG12      ILE  33   1.064  12.251  -8.302
  271   HG13  ILE  33          HG13      ILE  33   1.650  12.342  -6.657
  272   HG21  ILE  33          HG21      ILE  33   1.065  15.887  -7.828
  273   HG22  ILE  33          HG22      ILE  33   2.300  14.632  -7.647
  274   HG23  ILE  33          HG23      ILE  33   1.212  14.634  -9.050
  275   HD11  ILE  33          HD11      ILE  33   0.122  10.437  -7.039
  276   HD12  ILE  33          HD12      ILE  33  -0.536  11.541  -5.826
  277   HD13  ILE  33          HD13      ILE  33  -1.175  11.559  -7.492
  278    H    ALA  34           H        ALA  34   1.678  16.329  -5.394
  279    HA   ALA  34           HA       ALA  34   3.898  14.940  -4.355
  280    HB1  ALA  34           HB1      ALA  34   4.768  17.187  -3.837
  281    HB2  ALA  34           HB2      ALA  34   4.009  17.160  -5.437
  282    HB3  ALA  34           HB3      ALA  34   3.150  17.884  -4.054
  283    H    THR  35           H        THR  35   0.967  15.601  -2.693
  284    HA   THR  35           HA       THR  35   2.326  15.264  -0.048
  285    HB   THR  35           HB       THR  35  -0.373  16.553  -0.605
  286    HG1  THR  35           HG1      THR  35   1.303  17.815  -1.448
  287   HG21  THR  35          HG21      THR  35   1.396  16.523   1.887
  288   HG22  THR  35          HG22      THR  35  -0.105  17.459   1.694
  289   HG23  THR  35          HG23      THR  35  -0.163  15.692   1.694
  290    H    ALA  36           H        ALA  36  -0.391  14.253  -2.190
  291    HA   ALA  36           HA       ALA  36  -1.459  12.269  -0.445
  292    HB1  ALA  36           HB1      ALA  36  -1.428  12.481  -3.485
  293    HB2  ALA  36           HB2      ALA  36  -2.455  11.390  -2.546
  294    HB3  ALA  36           HB3      ALA  36  -2.672  13.148  -2.396
  295    H    VAL  37           H        VAL  37   1.172  12.169  -2.875
  296    HA   VAL  37           HA       VAL  37   2.021   9.503  -1.896
  297    HB   VAL  37           HB       VAL  37   1.844  10.270  -4.840
  298   HG11  VAL  37          HG11      VAL  37   2.499   7.626  -3.447
  299   HG12  VAL  37          HG12      VAL  37   2.413   7.901  -5.199
  300   HG13  VAL  37          HG13      VAL  37   3.677   8.682  -4.250
  301   HG21  VAL  37          HG21      VAL  37   0.104   8.506  -5.020
  302   HG22  VAL  37          HG22      VAL  37   0.066   8.366  -3.250
  303   HG23  VAL  37          HG23      VAL  37  -0.447   9.868  -4.049
  304    HA   PRO  38           HA       PRO  38   4.979  13.026  -1.895
  305    HB2  PRO  38           HB2      PRO  38   6.033  12.804   0.614
  306    HB3  PRO  38           HB3      PRO  38   4.372  13.390   0.319
  307    HG2  PRO  38           HG2      PRO  38   5.237  10.562   1.021
  308    HG3  PRO  38           HG3      PRO  38   3.986  11.566   1.829
  309    HD2  PRO  38           HD2      PRO  38   3.358   9.746  -0.104
  310    HD3  PRO  38           HD3      PRO  38   2.482  11.297   0.040
  311    H    ASP  39           H        ASP  39   5.587   9.918  -2.614
  312    HA   ASP  39           HA       ASP  39   8.491  10.346  -2.814
  313    HB2  ASP  39           HB2      ASP  39   8.214   9.022  -0.738
  314    HB3  ASP  39           HB3      ASP  39   7.293   7.807  -1.635
  315    H    LYS  40           H        LYS  40   9.228   9.680  -4.750
  316    HA   LYS  40           HA       LYS  40   7.257   9.243  -6.746
  317    HB2  LYS  40           HB2      LYS  40   9.133   9.322  -8.312
  318    HB3  LYS  40           HB3      LYS  40   9.157  10.655  -7.180
  319    HG2  LYS  40           HG2      LYS  40  11.087   9.970  -6.127
  320    HG3  LYS  40           HG3      LYS  40  10.798   8.250  -6.388
  321    HD2  LYS  40           HD2      LYS  40  11.514  10.152  -8.647
  322    HD3  LYS  40           HD3      LYS  40  12.729   9.260  -7.710
  323    HE2  LYS  40           HE2      LYS  40  11.947   7.135  -8.428
  324    HE3  LYS  40           HE3      LYS  40  10.395   7.784  -8.965
  325    HZ1  LYS  40           HZ1      LYS  40  11.732   7.306 -10.820
  326    HZ2  LYS  40           HZ2      LYS  40  11.480   8.909 -10.743
  327    HZ3  LYS  40           HZ3      LYS  40  12.967   8.293 -10.323
  328    H    ASN  41           H        ASN  41   8.912   6.818  -4.892
  329    HA   ASN  41           HA       ASN  41   9.251   4.986  -7.108
  330    HB2  ASN  41           HB2      ASN  41  10.315   3.600  -5.699
  331    HB3  ASN  41           HB3      ASN  41  10.496   5.065  -4.749
  332   HD21  ASN  41          HD22      ASN  41   8.820   5.382  -2.972
  333   HD22  ASN  41          HD21      ASN  41   8.150   3.952  -2.191
  334    H    ASP  42           H        ASP  42   6.477   5.824  -5.219
  335    HA   ASP  42           HA       ASP  42   5.205   3.296  -4.985
  336    HB2  ASP  42           HB2      ASP  42   4.470   5.259  -3.737
  337    HB3  ASP  42           HB3      ASP  42   4.026   6.074  -5.251
  338    H    THR  43           H        THR  43   3.672   2.245  -6.228
  339    HA   THR  43           HA       THR  43   3.726   2.769  -9.113
  340    HB   THR  43           HB       THR  43   2.160   0.614  -7.678
  341    HG1  THR  43           HG1      THR  43   4.173   0.264  -7.048
  342   HG21  THR  43          HG21      THR  43   1.606   0.994 -10.073
  343   HG22  THR  43          HG22      THR  43   3.313   0.753 -10.495
  344   HG23  THR  43          HG23      THR  43   2.366  -0.583  -9.802
  345    H    VAL  44           H        VAL  44   2.716   4.791  -9.190
  346    HA   VAL  44           HA       VAL  44   0.134   5.286  -8.024
  347    HB   VAL  44           HB       VAL  44   1.406   6.930 -10.247
  348   HG11  VAL  44          HG11      VAL  44   0.244   8.778  -9.185
  349   HG12  VAL  44          HG12      VAL  44  -0.925   7.475  -9.434
  350   HG13  VAL  44          HG13      VAL  44  -0.242   7.752  -7.819
  351   HG21  VAL  44          HG21      VAL  44   2.486   8.298  -8.433
  352   HG22  VAL  44          HG22      VAL  44   2.164   6.957  -7.311
  353   HG23  VAL  44          HG23      VAL  44   3.233   6.730  -8.713
  354    H    LYS  45           H        LYS  45  -1.147   3.488  -8.813
  355    HA   LYS  45           HA       LYS  45  -1.625   3.190 -11.692
  356    HB2  LYS  45           HB2      LYS  45  -3.185   2.178  -9.265
  357    HB3  LYS  45           HB3      LYS  45  -3.529   1.775 -10.950
  358    HG2  LYS  45           HG2      LYS  45  -1.227   0.807 -11.167
  359    HG3  LYS  45           HG3      LYS  45  -0.954   1.121  -9.444
  360    HD2  LYS  45           HD2      LYS  45  -2.828  -0.343  -8.858
  361    HD3  LYS  45           HD3      LYS  45  -3.165  -0.643 -10.583
  362    HE2  LYS  45           HE2      LYS  45  -0.981  -1.701 -10.876
  363    HE3  LYS  45           HE3      LYS  45  -0.512  -1.280  -9.221
  364    HZ1  LYS  45           HZ1      LYS  45  -1.238  -3.573  -9.373
  365    HZ2  LYS  45           HZ2      LYS  45  -2.230  -2.722  -8.388
  366    HZ3  LYS  45           HZ3      LYS  45  -2.715  -3.133  -9.916
  367    H    VAL  46           H        VAL  46  -3.088   4.408 -12.874
  368    HA   VAL  46           HA       VAL  46  -4.849   6.292 -11.372
  369    HB   VAL  46           HB       VAL  46  -4.402   7.833 -13.381
  370   HG11  VAL  46          HG11      VAL  46  -3.667   8.350 -11.125
  371   HG12  VAL  46          HG12      VAL  46  -2.216   7.339 -11.332
  372   HG13  VAL  46          HG13      VAL  46  -2.423   8.822 -12.287
  373   HG21  VAL  46          HG21      VAL  46  -1.788   6.276 -13.568
  374   HG22  VAL  46          HG22      VAL  46  -3.089   6.172 -14.767
  375   HG23  VAL  46          HG23      VAL  46  -2.265   7.712 -14.490
  376    H    TYR  47           H        TYR  47  -6.929   6.654 -12.183
  377    HA   TYR  47           HA       TYR  47  -7.657   5.515 -14.789
  378    HB2  TYR  47           HB2      TYR  47  -9.430   4.135 -13.942
  379    HB3  TYR  47           HB3      TYR  47  -7.913   3.613 -13.226
  380    HD1  TYR  47           HD1      TYR  47 -11.148   5.324 -12.604
  381    HD2  TYR  47           HD2      TYR  47  -7.497   3.866 -10.817
  382    HE1  TYR  47           HE1      TYR  47 -12.104   5.697 -10.354
  383    HE2  TYR  47           HE2      TYR  47  -8.480   4.174  -8.563
  384    HH   TYR  47           HH       TYR  47 -10.383   4.760  -7.361
  385    H    CYS  48           H        CYS  48  -9.823   6.140 -15.443
  386    HA   CYS  48           HA       CYS  48 -11.469   7.937 -13.977
  387    HB2  CYS  48           HB2      CYS  48 -11.121   9.942 -15.462
  388    HB3  CYS  48           HB3      CYS  48  -9.690   9.581 -14.490
  389    HG   CYS  48           HG       CYS  48  -8.444   8.178 -16.285
  390    H    ASN  49           H        ASN  49 -13.050   8.985 -15.852
  391    HA   ASN  49           HA       ASN  49 -14.167   6.848 -17.412
  392    HB2  ASN  49           HB2      ASN  49 -15.519   8.790 -16.746
  393    HB3  ASN  49           HB3      ASN  49 -14.465   9.875 -17.667
  394   HD21  ASN  49          HD22      ASN  49 -16.651   7.005 -18.054
  395   HD22  ASN  49          HD21      ASN  49 -17.090   7.379 -19.696
  396    H    ALA  50           H        ALA  50 -13.543   6.069 -19.325
  397    HA   ALA  50           HA       ALA  50 -12.326   5.583 -21.109
  398    HB1  ALA  50           HB1      ALA  50 -12.606   8.544 -21.734
  399    HB2  ALA  50           HB2      ALA  50 -12.324   7.233 -22.898
  400    HB3  ALA  50           HB3      ALA  50 -13.851   7.304 -22.006
  401    H    GLY  51           H        GLY  51 -10.656   6.659 -18.671
  402    HA2  GLY  51           HA2      GLY  51  -8.427   6.643 -18.202
  403    HA3  GLY  51           HA3      GLY  51  -8.163   5.982 -19.814
  404    H    ARG  52           H        ARG  52  -9.654   9.008 -20.264
  405    HA   ARG  52           HA       ARG  52  -7.177  10.063 -21.386
  406    HB2  ARG  52           HB2      ARG  52  -9.829  11.513 -20.929
  407    HB3  ARG  52           HB3      ARG  52  -8.521  12.010 -21.997
  408    HG2  ARG  52           HG2      ARG  52 -10.395   9.639 -22.373
  409    HG3  ARG  52           HG3      ARG  52 -10.280  11.109 -23.340
  410    HD2  ARG  52           HD2      ARG  52  -7.855  10.385 -23.858
  411    HD3  ARG  52           HD3      ARG  52  -8.289   8.809 -23.194
  412    HE   ARG  52           HE       ARG  52  -9.221  10.092 -25.682
  413   HH11  ARG  52          HH11      ARG  52  -9.690   7.278 -23.521
  414   HH12  ARG  52          HH12      ARG  52 -10.256   6.261 -24.795
  415   HH21  ARG  52          HH21      ARG  52 -10.077   8.749 -27.309
  416   HH22  ARG  52          HH22      ARG  52 -10.549   7.131 -26.962
  417    H    GLN  53           H        GLN  53  -8.871  10.877 -18.378
  418    HA   GLN  53           HA       GLN  53  -7.028  13.054 -17.916
  419    HB2  GLN  53           HB2      GLN  53  -8.924  11.602 -16.037
  420    HB3  GLN  53           HB3      GLN  53  -7.846  12.876 -15.531
  421    HG2  GLN  53           HG2      GLN  53 -10.132  13.699 -15.947
  422    HG3  GLN  53           HG3      GLN  53  -8.885  14.513 -16.893
  423   HE21  GLN  53          HE22      GLN  53 -11.229  11.738 -17.236
  424   HE22  GLN  53          HE21      GLN  53 -11.575  12.068 -18.908
  425    H    SER  54           H        SER  54  -6.959   9.553 -17.295
  426    HA   SER  54           HA       SER  54  -4.646   9.551 -15.606
  427    HB2  SER  54           HB2      SER  54  -5.589   7.330 -17.460
  428    HB3  SER  54           HB3      SER  54  -4.692   7.179 -15.948
  429    HG   SER  54           HG       SER  54  -6.564   8.077 -14.891
  430    H    GLY  55           H        GLY  55  -5.044   9.014 -19.175
  431    HA2  GLY  55           HA2      GLY  55  -2.283   8.641 -19.735
  432    HA3  GLY  55           HA3      GLY  55  -3.521   9.199 -20.880
  433    H    GLN  56           H        GLN  56  -4.334  11.587 -19.745
  434    HA   GLN  56           HA       GLN  56  -2.371  13.510 -20.392
  435    HB2  GLN  56           HB2      GLN  56  -5.017  13.437 -18.952
  436    HB3  GLN  56           HB3      GLN  56  -4.028  14.909 -18.820
  437    HG2  GLN  56           HG2      GLN  56  -3.983  15.166 -21.247
  438    HG3  GLN  56           HG3      GLN  56  -4.820  13.623 -21.466
  439   HE21  GLN  56          HE22      GLN  56  -6.990  13.439 -20.407
  440   HE22  GLN  56          HE21      GLN  56  -8.054  14.838 -20.369
  441    H    ALA  57           H        ALA  57  -3.389  12.306 -17.110
  442    HA   ALA  57           HA       ALA  57  -1.566  13.902 -15.672
  443    HB1  ALA  57           HB1      ALA  57  -3.480  12.789 -14.626
  444    HB2  ALA  57           HB2      ALA  57  -2.742  11.195 -14.913
  445    HB3  ALA  57           HB3      ALA  57  -1.973  12.351 -13.806
  446    H    LYS  58           H        LYS  58  -1.091  10.649 -17.156
  447    HA   LYS  58           HA       LYS  58   1.264  10.011 -15.801
  448    HB2  LYS  58           HB2      LYS  58  -0.017   8.462 -17.261
  449    HB3  LYS  58           HB3      LYS  58   0.609   9.301 -18.695
  450    HG2  LYS  58           HG2      LYS  58   2.905   8.690 -18.099
  451    HG3  LYS  58           HG3      LYS  58   2.360   7.998 -16.564
  452    HD2  LYS  58           HD2      LYS  58   1.031   6.303 -17.843
  453    HD3  LYS  58           HD3      LYS  58   1.689   6.951 -19.351
  454    HE2  LYS  58           HE2      LYS  58   3.291   5.723 -17.050
  455    HE3  LYS  58           HE3      LYS  58   2.889   4.919 -18.566
  456    HZ1  LYS  58           HZ1      LYS  58   4.636   7.303 -18.315
  457    HZ2  LYS  58           HZ2      LYS  58   5.119   5.781 -18.640
  458    HZ3  LYS  58           HZ3      LYS  58   4.224   6.587 -19.732
  459    H    GLU  59           H        GLU  59   0.910  12.233 -18.585
  460    HA   GLU  59           HA       GLU  59   3.698  12.389 -19.177
  461    HB2  GLU  59           HB2      GLU  59   1.485  14.452 -19.575
  462    HB3  GLU  59           HB3      GLU  59   3.114  14.555 -20.255
  463    HG2  GLU  59           HG2      GLU  59   2.722  12.366 -21.426
  464    HG3  GLU  59           HG3      GLU  59   1.055  12.386 -20.849
  465    H    ILE  60           H        ILE  60   1.632  14.579 -17.094
  466    HA   ILE  60           HA       ILE  60   3.914  16.108 -16.299
  467    HB   ILE  60           HB       ILE  60   2.373  17.141 -14.702
  468   HG12  ILE  60          HG12      ILE  60   0.354  15.091 -15.668
  469   HG13  ILE  60          HG13      ILE  60   1.015  15.209 -14.021
  470   HG21  ILE  60          HG21      ILE  60   2.533  17.801 -17.127
  471   HG22  ILE  60          HG22      ILE  60   1.092  16.814 -17.453
  472   HG23  ILE  60          HG23      ILE  60   0.996  18.223 -16.379
  473   HD11  ILE  60          HD11      ILE  60  -1.229  16.059 -14.140
  474   HD12  ILE  60          HD12      ILE  60  -0.104  17.379 -13.748
  475   HD13  ILE  60          HD13      ILE  60  -0.800  17.218 -15.395
  476    H    LEU  61           H        LEU  61   2.332  13.214 -14.904
  477    HA   LEU  61           HA       LEU  61   3.772  13.332 -12.419
  478    HB2  LEU  61           HB2      LEU  61   2.540  11.017 -13.964
  479    HB3  LEU  61           HB3      LEU  61   3.255  10.850 -12.361
  480    HG   LEU  61           HG       LEU  61   0.919  12.719 -12.932
  481   HD11  LEU  61          HD11      LEU  61   0.246  10.394 -13.351
  482   HD12  LEU  61          HD12      LEU  61   0.921   9.892 -11.783
  483   HD13  LEU  61          HD13      LEU  61  -0.479  10.986 -11.853
  484   HD21  LEU  61          HD21      LEU  61   2.109  11.689 -10.334
  485   HD22  LEU  61          HD22      LEU  61   2.190  13.359 -10.942
  486   HD23  LEU  61          HD23      LEU  61   0.629  12.668 -10.502
  487    H    SER  62           H        SER  62   4.533  11.849 -15.608
  488    HA   SER  62           HA       SER  62   6.999  10.665 -14.775
  489    HB2  SER  62           HB2      SER  62   6.216  11.692 -17.532
  490    HB3  SER  62           HB3      SER  62   7.516  10.552 -17.154
  491    HG   SER  62           HG       SER  62   4.714  10.214 -16.881
  492    H    GLU  63           H        GLU  63   6.172  13.949 -16.010
  493    HA   GLU  63           HA       GLU  63   8.860  14.898 -16.103
  494    HB2  GLU  63           HB2      GLU  63   6.896  15.917 -17.248
  495    HB3  GLU  63           HB3      GLU  63   6.282  16.472 -15.685
  496    HG2  GLU  63           HG2      GLU  63   8.303  17.852 -15.359
  497    HG3  GLU  63           HG3      GLU  63   8.987  17.235 -16.865
  498    H    MET  64           H        MET  64   6.383  14.968 -13.479
  499    HA   MET  64           HA       MET  64   7.972  16.390 -11.577
  500    HB2  MET  64           HB2      MET  64   5.651  14.445 -11.268
  501    HB3  MET  64           HB3      MET  64   6.424  15.249  -9.898
  502    HG2  MET  64           HG2      MET  64   5.896  17.455 -10.832
  503    HG3  MET  64           HG3      MET  64   5.188  16.713 -12.256
  504    HE1  MET  64           HE1      MET  64   3.314  16.950  -8.041
  505    HE2  MET  64           HE2      MET  64   4.805  16.017  -8.291
  506    HE3  MET  64           HE3      MET  64   4.786  17.770  -8.594
  507    H    GLY  65           H        GLY  65   7.852  12.942 -12.469
  508    HA2  GLY  65           HA2      GLY  65  10.184  12.060 -12.409
  509    HA3  GLY  65           HA3      GLY  65  10.220  12.461 -10.691
  510    H    TYR  66           H        TYR  66   7.086  11.319 -11.374
  511    HA   TYR  66           HA       TYR  66   7.593   8.830  -9.953
  512    HB2  TYR  66           HB2      TYR  66   5.124   9.797 -11.445
  513    HB3  TYR  66           HB3      TYR  66   5.213   8.385 -10.403
  514    HD1  TYR  66           HD2      TYR  66   5.118  12.092 -10.478
  515    HD2  TYR  66           HD1      TYR  66   5.236   8.592  -7.961
  516    HE1  TYR  66           HE2      TYR  66   4.554  13.491  -8.522
  517    HE2  TYR  66           HE1      TYR  66   4.682   9.987  -5.994
  518    HH   TYR  66           HH       TYR  66   4.190  12.128  -5.214
  519    H    THR  67           H        THR  67   8.351   6.996 -10.913
  520    HA   THR  67           HA       THR  67   8.260   6.786 -13.871
  521    HB   THR  67           HB       THR  67  10.296   5.208 -13.271
  522    HG1  THR  67           HG1      THR  67  10.206   5.218 -11.059
  523   HG21  THR  67          HG21      THR  67  11.793   7.169 -13.332
  524   HG22  THR  67          HG22      THR  67  10.484   7.311 -14.511
  525   HG23  THR  67          HG23      THR  67  10.408   8.243 -13.006
  526    H    HIS  68           H        HIS  68   6.338   5.669 -11.585
  527    HA   HIS  68           HA       HIS  68   6.070   2.961 -12.779
  528    HB2  HIS  68           HB2      HIS  68   5.730   3.572  -9.828
  529    HB3  HIS  68           HB3      HIS  68   5.802   1.987 -10.590
  530    HD1  HIS  68           HD1      HIS  68   8.391   1.209 -11.342
  531    HD2  HIS  68           HD2      HIS  68   7.964   4.830  -9.242
  532    HE1  HIS  68           HE1      HIS  68  10.734   1.904 -10.629
  533    H    VAL  69           H        VAL  69   4.725   5.375 -13.450
  534    HA   VAL  69           HA       VAL  69   2.020   5.262 -12.300
  535    HB   VAL  69           HB       VAL  69   3.055   6.802 -14.719
  536   HG11  VAL  69          HG11      VAL  69   0.613   7.250 -12.938
  537   HG12  VAL  69          HG12      VAL  69   1.129   8.306 -14.266
  538   HG13  VAL  69          HG13      VAL  69   0.591   6.665 -14.617
  539   HG21  VAL  69          HG21      VAL  69   4.384   7.514 -12.776
  540   HG22  VAL  69          HG22      VAL  69   3.269   8.766 -13.280
  541   HG23  VAL  69          HG23      VAL  69   2.895   7.790 -11.842
  542    H    GLU  70           H        GLU  70   0.272   4.218 -13.388
  543    HA   GLU  70           HA       GLU  70   0.605   3.400 -16.161
  544    HB2  GLU  70           HB2      GLU  70  -0.029   1.057 -15.787
  545    HB3  GLU  70           HB3      GLU  70   1.548   1.428 -15.097
  546    HG2  GLU  70           HG2      GLU  70   0.532   1.537 -12.828
  547    HG3  GLU  70           HG3      GLU  70  -1.052   1.181 -13.528
  548    H    ASN  71           H        ASN  71  -1.426   3.255 -17.193
  549    HA   ASN  71           HA       ASN  71  -3.711   4.220 -15.627
  550    HB2  ASN  71           HB2      ASN  71  -3.589   5.114 -17.852
  551    HB3  ASN  71           HB3      ASN  71  -3.428   3.496 -18.556
  552   HD21  ASN  71          HD22      ASN  71  -5.756   4.825 -16.024
  553   HD22  ASN  71          HD21      ASN  71  -7.165   4.310 -16.915
  554    H    ALA  72           H        ALA  72  -4.818   2.789 -14.399
  555    HA   ALA  72           HA       ALA  72  -4.526  -0.061 -14.628
  556    HB1  ALA  72           HB1      ALA  72  -6.654   1.609 -13.213
  557    HB2  ALA  72           HB2      ALA  72  -6.384  -0.131 -12.991
  558    HB3  ALA  72           HB3      ALA  72  -5.130   1.025 -12.510
  559    H    GLY  73           H        GLY  73  -6.862   2.271 -15.957
  560    HA2  GLY  73           HA2      GLY  73  -7.563   1.143 -18.278
  561    HA3  GLY  73           HA3      GLY  73  -8.598   0.247 -17.147
  562    H    GLY  74           H        GLY  74 -10.256   1.448 -18.546
  563    HA2  GLY  74           HA2      GLY  74 -10.807   4.216 -17.671
  564    HA3  GLY  74           HA3      GLY  74 -11.805   3.223 -18.747
  565    H    LEU  75           H        LEU  75 -12.667   4.661 -16.350
  566    HA   LEU  75           HA       LEU  75 -12.932   3.280 -14.017
  567    HB2  LEU  75           HB2      LEU  75 -13.728   5.549 -14.393
  568    HB3  LEU  75           HB3      LEU  75 -15.032   4.997 -15.422
  569    HG   LEU  75           HG       LEU  75 -15.650   5.763 -13.135
  570   HD11  LEU  75          HD11      LEU  75 -17.152   4.263 -14.459
  571   HD12  LEU  75          HD12      LEU  75 -16.543   2.890 -13.505
  572   HD13  LEU  75          HD13      LEU  75 -17.382   4.221 -12.708
  573   HD21  LEU  75          HD21      LEU  75 -15.351   4.346 -11.189
  574   HD22  LEU  75          HD22      LEU  75 -14.414   3.175 -12.133
  575   HD23  LEU  75          HD23      LEU  75 -13.779   4.814 -11.864
  576    H    LYS  76           H        LYS  76 -15.171   2.857 -16.808
  577    HA   LYS  76           HA       LYS  76 -16.651   0.765 -15.454
  578    HB2  LYS  76           HB2      LYS  76 -17.643   2.334 -17.116
  579    HB3  LYS  76           HB3      LYS  76 -16.614   1.655 -18.375
  580    HG2  LYS  76           HG2      LYS  76 -18.875   0.813 -18.563
  581    HG3  LYS  76           HG3      LYS  76 -17.775  -0.512 -18.196
  582    HD2  LYS  76           HD2      LYS  76 -18.512  -0.498 -15.831
  583    HD3  LYS  76           HD3      LYS  76 -19.547   0.913 -16.155
  584    HE2  LYS  76           HE2      LYS  76 -20.828  -0.428 -17.816
  585    HE3  LYS  76           HE3      LYS  76 -19.797  -1.826 -17.485
  586    HZ1  LYS  76           HZ1      LYS  76 -21.869  -1.938 -16.257
  587    HZ2  LYS  76           HZ2      LYS  76 -20.633  -1.819 -15.205
  588    HZ3  LYS  76           HZ3      LYS  76 -21.582  -0.521 -15.510
  589    H    ASP  77           H        ASP  77 -13.909   0.839 -17.707
  590    HA   ASP  77           HA       ASP  77 -14.138  -1.877 -18.623
  591    HB2  ASP  77           HB2      ASP  77 -12.940  -0.180 -19.905
  592    HB3  ASP  77           HB3      ASP  77 -11.795   0.058 -18.583
  593    H    ILE  78           H        ILE  78 -12.426  -0.316 -15.920
  594    HA   ILE  78           HA       ILE  78 -10.874  -2.520 -15.016
  595    HB   ILE  78           HB       ILE  78 -12.114  -0.080 -13.697
  596   HG12  ILE  78          HG12      ILE  78  -9.181  -0.786 -14.163
  597   HG13  ILE  78          HG13      ILE  78 -10.157   0.044 -15.368
  598   HG21  ILE  78          HG21      ILE  78 -11.984  -1.682 -11.871
  599   HG22  ILE  78          HG22      ILE  78 -10.313  -2.126 -12.318
  600   HG23  ILE  78          HG23      ILE  78 -10.697  -0.525 -11.673
  601   HD11  ILE  78          HD11      ILE  78 -10.630   1.870 -13.732
  602   HD12  ILE  78          HD12      ILE  78  -9.485   1.105 -12.601
  603   HD13  ILE  78          HD13      ILE  78  -8.923   1.688 -14.172
  604    H    ALA  79           H        ALA  79 -11.514  -4.472 -14.205
  605    HA   ALA  79           HA       ALA  79 -14.308  -5.072 -13.778
  606    HB1  ALA  79           HB1      ALA  79 -12.690  -6.735 -14.638
  607    HB2  ALA  79           HB2      ALA  79 -11.804  -6.680 -13.094
  608    HB3  ALA  79           HB3      ALA  79 -13.466  -7.299 -13.148
  609    H    MET  80           H        MET  80 -11.734  -3.931 -11.709
  610    HA   MET  80           HA       MET  80 -12.510  -4.947  -9.241
  611    HB2  MET  80           HB2      MET  80 -10.349  -3.911  -9.757
  612    HB3  MET  80           HB3      MET  80 -11.116  -2.317  -9.869
  613    HG2  MET  80           HG2      MET  80 -11.690  -2.334  -7.571
  614    HG3  MET  80           HG3      MET  80 -11.127  -4.015  -7.386
  615    HE1  MET  80           HE1      MET  80  -8.610  -2.096  -5.181
  616    HE2  MET  80           HE2      MET  80 -10.330  -1.696  -5.427
  617    HE3  MET  80           HE3      MET  80  -9.834  -3.394  -5.291
  618    HA   PRO  81           HA       PRO  81 -16.389  -3.167  -8.483
  619    HB2  PRO  81           HB2      PRO  81 -15.708  -2.829  -5.578
  620    HB3  PRO  81           HB3      PRO  81 -17.072  -3.715  -6.319
  621    HG2  PRO  81           HG2      PRO  81 -14.939  -5.061  -5.316
  622    HG3  PRO  81           HG3      PRO  81 -15.682  -5.564  -6.868
  623    HD2  PRO  81           HD2      PRO  81 -13.200  -3.872  -6.444
  624    HD3  PRO  81           HD3      PRO  81 -13.457  -5.265  -7.529
  625    H    LYS  82           H        LYS  82 -17.693  -1.316  -7.683
  626    HA   LYS  82           HA       LYS  82 -16.100   1.210  -7.567
  627    HB2  LYS  82           HB2      LYS  82 -19.004   1.139  -8.372
  628    HB3  LYS  82           HB3      LYS  82 -17.776   2.332  -8.758
  629    HG2  LYS  82           HG2      LYS  82 -18.135  -0.429  -9.974
  630    HG3  LYS  82           HG3      LYS  82 -18.490   1.114 -10.740
  631    HD2  LYS  82           HD2      LYS  82 -16.145   1.686 -10.910
  632    HD3  LYS  82           HD3      LYS  82 -15.677   0.321  -9.877
  633    HE2  LYS  82           HE2      LYS  82 -16.854  -1.199 -11.589
  634    HE3  LYS  82           HE3      LYS  82 -16.865   0.202 -12.676
  635    HZ1  LYS  82           HZ1      LYS  82 -14.447  -0.978 -11.430
  636    HZ2  LYS  82           HZ2      LYS  82 -14.932  -1.285 -12.953
  637    HZ3  LYS  82           HZ3      LYS  82 -14.490   0.237 -12.602
  638    H    VAL  83           H        VAL  83 -17.079   2.951  -6.313
  639    HA   VAL  83           HA       VAL  83 -19.294   2.252  -4.511
  640    HB   VAL  83           HB       VAL  83 -18.163   3.427  -2.614
  641   HG11  VAL  83          HG11      VAL  83 -16.905   1.503  -1.819
  642   HG12  VAL  83          HG12      VAL  83 -18.360   0.967  -2.673
  643   HG13  VAL  83          HG13      VAL  83 -16.777   0.859  -3.466
  644   HG21  VAL  83          HG21      VAL  83 -15.603   3.050  -4.235
  645   HG22  VAL  83          HG22      VAL  83 -16.356   4.587  -3.762
  646   HG23  VAL  83          HG23      VAL  83 -15.694   3.517  -2.523
  647    H    LYS  84           H        LYS  84 -20.659   3.987  -4.223
  648    HA   LYS  84           HA       LYS  84 -20.499   6.112  -6.165
  649    HB2  LYS  84           HB2      LYS  84 -22.297   5.846  -3.721
  650    HB3  LYS  84           HB3      LYS  84 -22.529   6.975  -5.045
  651    HG2  LYS  84           HG2      LYS  84 -22.703   3.935  -5.213
  652    HG3  LYS  84           HG3      LYS  84 -24.054   5.054  -5.200
  653    HD2  LYS  84           HD2      LYS  84 -21.969   4.845  -7.413
  654    HD3  LYS  84           HD3      LYS  84 -23.587   4.151  -7.441
  655    HE2  LYS  84           HE2      LYS  84 -24.595   6.399  -7.248
  656    HE3  LYS  84           HE3      LYS  84 -22.992   7.135  -7.225
  657    HZ1  LYS  84           HZ1      LYS  84 -24.061   5.556  -9.492
  658    HZ2  LYS  84           HZ2      LYS  84 -24.050   7.180  -9.418
  659    HZ3  LYS  84           HZ3      LYS  84 -22.636   6.378  -9.496
  660    H    GLY  85           H        GLY  85 -20.386   8.385  -5.708
  661    HA2  GLY  85           HA2      GLY  85 -18.246   9.236  -4.040
  662    HA3  GLY  85           HA3      GLY  85 -19.480  10.272  -4.772
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1   4.462  -2.123  -1.810
    2    H2   ALA   1           H2       ALA   1   3.325  -2.362  -2.969
    3    H3   ALA   1           H3       ALA   1   4.676  -1.513  -3.323
    4    HA   ALA   1           HA       ALA   1   2.566  -0.694  -1.456
    5    HB1  ALA   1           HB1      ALA   1   3.752   1.459  -1.300
    6    HB2  ALA   1           HB2      ALA   1   4.772   0.137  -0.712
    7    HB3  ALA   1           HB3      ALA   1   5.065   0.838  -2.321
    8    H    GLU   2           H        GLU   2   0.772   0.021  -2.542
    9    HA   GLU   2           HA       GLU   2   1.082   1.576  -4.956
   10    HB2  GLU   2           HB2      GLU   2  -0.317   0.221  -6.372
   11    HB3  GLU   2           HB3      GLU   2   1.063  -0.739  -5.873
   12    HG2  GLU   2           HG2      GLU   2  -1.754  -0.960  -4.734
   13    HG3  GLU   2           HG3      GLU   2  -1.045  -2.014  -5.942
   14    H    HIS   3           H        HIS   3  -0.909   2.660  -5.545
   15    HA   HIS   3           HA       HIS   3  -3.278   2.285  -3.843
   16    HB2  HIS   3           HB2      HIS   3  -1.760   4.913  -4.136
   17    HB3  HIS   3           HB3      HIS   3  -3.474   4.855  -3.752
   18    HD1  HIS   3           HD1      HIS   3  -4.166   4.063  -1.274
   19    HD2  HIS   3           HD2      HIS   3  -0.050   4.141  -2.151
   20    HE1  HIS   3           HE1      HIS   3  -2.957   3.855   0.953
   21    H    TRP   4           H        TRP   4  -5.162   3.264  -4.844
   22    HA   TRP   4           HA       TRP   4  -4.995   3.454  -7.811
   23    HB2  TRP   4           HB2      TRP   4  -7.331   2.872  -5.926
   24    HB3  TRP   4           HB3      TRP   4  -7.490   3.139  -7.647
   25    HD1  TRP   4           HD1      TRP   4  -5.813   0.643  -5.221
   26    HE1  TRP   4           HE1      TRP   4  -5.432  -1.587  -6.389
   27    HE3  TRP   4           HE3      TRP   4  -7.495   1.898  -9.897
   28    HZ2  TRP   4           HZ2      TRP   4  -5.720  -2.683  -9.063
   29    HZ3  TRP   4           HZ3      TRP   4  -7.458   0.221 -11.719
   30    HH2  TRP   4           HH2      TRP   4  -6.558  -2.058 -11.325
   31    H    ILE   5           H        ILE   5  -5.305   5.442  -8.692
   32    HA   ILE   5           HA       ILE   5  -6.304   7.638  -6.919
   33    HB   ILE   5           HB       ILE   5  -3.996   7.677  -8.913
   34   HG12  ILE   5          HG12      ILE   5  -2.691   8.701  -7.091
   35   HG13  ILE   5          HG13      ILE   5  -4.034   8.530  -5.975
   36   HG21  ILE   5          HG21      ILE   5  -5.355   9.994  -7.466
   37   HG22  ILE   5          HG22      ILE   5  -3.885  10.114  -8.468
   38   HG23  ILE   5          HG23      ILE   5  -5.421   9.685  -9.206
   39   HD11  ILE   5          HD11      ILE   5  -2.084   6.881  -5.804
   40   HD12  ILE   5          HD12      ILE   5  -3.701   6.192  -5.794
   41   HD13  ILE   5          HD13      ILE   5  -2.717   6.123  -7.282
   42    H    ASP   6           H        ASP   6  -8.201   8.283  -7.686
   43    HA   ASP   6           HA       ASP   6  -9.037   7.757 -10.451
   44    HB2  ASP   6           HB2      ASP   6 -10.585   7.701  -8.387
   45    HB3  ASP   6           HB3      ASP   6 -10.436   9.453  -8.342
   46    H    VAL   7           H        VAL   7  -8.723   9.204 -12.004
   47    HA   VAL   7           HA       VAL   7  -7.765  11.923 -11.352
   48    HB   VAL   7           HB       VAL   7  -7.118  10.397 -13.887
   49   HG11  VAL   7          HG11      VAL   7  -6.631  12.824 -13.898
   50   HG12  VAL   7          HG12      VAL   7  -5.634  12.635 -12.448
   51   HG13  VAL   7          HG13      VAL   7  -5.175  11.860 -13.981
   52   HG21  VAL   7          HG21      VAL   7  -4.888   9.874 -12.864
   53   HG22  VAL   7          HG22      VAL   7  -5.498  10.437 -11.303
   54   HG23  VAL   7          HG23      VAL   7  -6.194   8.993 -12.075
   55    H    ARG   8           H        ARG   8 -10.578  10.391 -12.298
   56    HA   ARG   8           HA       ARG   8 -11.449  12.186 -14.439
   57    HB2  ARG   8           HB2      ARG   8 -13.538  11.244 -14.232
   58    HB3  ARG   8           HB3      ARG   8 -12.468   9.918 -13.793
   59    HG2  ARG   8           HG2      ARG   8 -12.911  10.692 -11.327
   60    HG3  ARG   8           HG3      ARG   8 -14.253  11.565 -11.998
   61    HD2  ARG   8           HD2      ARG   8 -13.767   8.567 -12.195
   62    HD3  ARG   8           HD3      ARG   8 -14.992   9.379 -11.216
   63    HE   ARG   8           HE       ARG   8 -15.351  10.061 -13.997
   64   HH11  ARG   8          HH11      ARG   8 -16.189   7.671 -11.496
   65   HH12  ARG   8          HH12      ARG   8 -17.329   6.863 -12.556
   66   HH21  ARG   8          HH21      ARG   8 -17.113   9.039 -15.201
   67   HH22  ARG   8          HH22      ARG   8 -17.919   7.673 -14.452
   68    H    VAL   9           H        VAL   9 -13.155  13.843 -14.090
   69    HA   VAL   9           HA       VAL   9 -12.179  15.847 -12.397
   70    HB   VAL   9           HB       VAL   9 -14.287  17.060 -12.966
   71   HG11  VAL   9          HG11      VAL   9 -12.308  17.082 -14.456
   72   HG12  VAL   9          HG12      VAL   9 -12.959  15.687 -15.344
   73   HG13  VAL   9          HG13      VAL   9 -13.828  17.233 -15.348
   74   HG21  VAL   9          HG21      VAL   9 -15.884  16.102 -14.553
   75   HG22  VAL   9          HG22      VAL   9 -15.081  14.524 -14.467
   76   HG23  VAL   9          HG23      VAL   9 -15.896  15.202 -13.036
   77    HA   PRO  10           HA       PRO  10 -13.443  14.681  -8.488
   78    HB2  PRO  10           HB2      PRO  10 -14.015  16.989  -7.089
   79    HB3  PRO  10           HB3      PRO  10 -12.373  16.514  -7.611
   80    HG2  PRO  10           HG2      PRO  10 -14.286  18.427  -8.975
   81    HG3  PRO  10           HG3      PRO  10 -12.524  18.643  -8.655
   82    HD2  PRO  10           HD2      PRO  10 -13.504  17.840 -11.067
   83    HD3  PRO  10           HD3      PRO  10 -11.949  17.235 -10.450
   84    H    GLU  11           H        GLU  11 -15.808  16.813 -10.062
   85    HA   GLU  11           HA       GLU  11 -18.062  16.085  -8.428
   86    HB2  GLU  11           HB2      GLU  11 -17.808  17.216 -11.236
   87    HB3  GLU  11           HB3      GLU  11 -19.343  17.051 -10.368
   88    HG2  GLU  11           HG2      GLU  11 -16.966  18.764  -9.506
   89    HG3  GLU  11           HG3      GLU  11 -18.431  19.350 -10.276
   90    H    GLN  12           H        GLN  12 -16.312  14.256 -10.835
   91    HA   GLN  12           HA       GLN  12 -18.663  12.494 -11.318
   92    HB2  GLN  12           HB2      GLN  12 -15.920  12.716 -12.617
   93    HB3  GLN  12           HB3      GLN  12 -16.858  11.221 -12.616
   94    HG2  GLN  12           HG2      GLN  12 -18.738  12.354 -13.730
   95    HG3  GLN  12           HG3      GLN  12 -17.799  13.849 -13.774
   96   HE21  GLN  12          HE22      GLN  12 -17.956  13.763 -16.174
   97   HE22  GLN  12          HE21      GLN  12 -16.928  12.670 -17.067
   98    H    TYR  13           H        TYR  13 -15.367  12.577  -9.789
   99    HA   TYR  13           HA       TYR  13 -15.313   9.939  -8.853
  100    HB2  TYR  13           HB2      TYR  13 -13.346  11.172  -8.564
  101    HB3  TYR  13           HB3      TYR  13 -14.182  12.535  -7.850
  102    HD1  TYR  13           HD2      TYR  13 -14.797  12.626  -5.514
  103    HD2  TYR  13           HD1      TYR  13 -12.677   9.203  -7.085
  104    HE1  TYR  13           HE2      TYR  13 -14.284  11.900  -3.212
  105    HE2  TYR  13           HE1      TYR  13 -12.053   8.550  -4.793
  106    HH   TYR  13           HH       TYR  13 -13.166  10.348  -1.882
  107    H    GLN  14           H        GLN  14 -16.866  12.805  -7.349
  108    HA   GLN  14           HA       GLN  14 -17.799  11.526  -4.996
  109    HB2  GLN  14           HB2      GLN  14 -18.821  13.887  -6.618
  110    HB3  GLN  14           HB3      GLN  14 -19.578  13.397  -5.100
  111    HG2  GLN  14           HG2      GLN  14 -17.637  13.877  -3.808
  112    HG3  GLN  14           HG3      GLN  14 -16.603  13.989  -5.231
  113   HE21  GLN  14          HE22      GLN  14 -16.658  15.814  -6.555
  114   HE22  GLN  14          HE21      GLN  14 -17.510  17.304  -6.164
  115    H    GLN  15           H        GLN  15 -19.102  11.447  -8.307
  116    HA   GLN  15           HA       GLN  15 -21.681  10.347  -7.417
  117    HB2  GLN  15           HB2      GLN  15 -20.517  10.939 -10.171
  118    HB3  GLN  15           HB3      GLN  15 -22.106  10.223  -9.892
  119    HG2  GLN  15           HG2      GLN  15 -22.822  12.210  -8.617
  120    HG3  GLN  15           HG3      GLN  15 -21.240  12.953  -8.837
  121   HE21  GLN  15          HE22      GLN  15 -20.797  14.039 -10.751
  122   HE22  GLN  15          HE21      GLN  15 -21.925  14.164 -12.097
  123    H    GLU  16           H        GLU  16 -18.582   9.184  -8.816
  124    HA   GLU  16           HA       GLU  16 -19.291   6.382  -8.347
  125    HB2  GLU  16           HB2      GLU  16 -20.503   6.922 -10.450
  126    HB3  GLU  16           HB3      GLU  16 -19.041   7.631 -11.120
  127    HG2  GLU  16           HG2      GLU  16 -17.977   5.314 -10.938
  128    HG3  GLU  16           HG3      GLU  16 -19.570   4.699 -10.496
  129    H    HIS  17           H        HIS  17 -17.296   5.435  -7.738
  130    HA   HIS  17           HA       HIS  17 -15.016   5.815  -9.461
  131    HB2  HIS  17           HB2      HIS  17 -13.417   6.616  -7.859
  132    HB3  HIS  17           HB3      HIS  17 -14.697   7.789  -8.029
  133    HD1  HIS  17           HD1      HIS  17 -16.346   8.071  -5.866
  134    HD2  HIS  17           HD2      HIS  17 -12.769   5.936  -5.484
  135    HE1  HIS  17           HE1      HIS  17 -15.940   7.816  -3.357
  136    H    VAL  18           H        VAL  18 -13.142   4.345  -8.697
  137    HA   VAL  18           HA       VAL  18 -14.175   1.729  -7.995
  138    HB   VAL  18           HB       VAL  18 -11.314   2.765  -8.249
  139   HG11  VAL  18          HG11      VAL  18 -11.300   0.757  -6.861
  140   HG12  VAL  18          HG12      VAL  18 -12.330  -0.092  -8.035
  141   HG13  VAL  18          HG13      VAL  18 -10.668   0.378  -8.462
  142   HG21  VAL  18          HG21      VAL  18 -12.569   2.821 -10.397
  143   HG22  VAL  18          HG22      VAL  18 -11.308   1.601 -10.420
  144   HG23  VAL  18          HG23      VAL  18 -13.004   1.113 -10.190
  145    H    GLN  19           H        GLN  19 -14.068   0.711  -6.026
  146    HA   GLN  19           HA       GLN  19 -14.476   2.245  -3.745
  147    HB2  GLN  19           HB2      GLN  19 -15.254  -0.063  -4.141
  148    HB3  GLN  19           HB3      GLN  19 -13.603  -0.668  -3.965
  149    HG2  GLN  19           HG2      GLN  19 -13.563   0.091  -1.611
  150    HG3  GLN  19           HG3      GLN  19 -15.175   0.789  -1.788
  151   HE21  GLN  19          HE22      GLN  19 -17.033  -0.692  -2.048
  152   HE22  GLN  19          HE21      GLN  19 -16.891  -2.363  -1.574
  153    H    GLY  20           H        GLY  20 -13.138   3.459  -2.565
  154    HA2  GLY  20           HA2      GLY  20 -11.512   3.789  -0.993
  155    HA3  GLY  20           HA3      GLY  20 -10.706   2.298  -1.483
  156    H    ALA  21           H        ALA  21 -11.129   4.169  -4.308
  157    HA   ALA  21           HA       ALA  21  -8.316   4.730  -4.482
  158    HB1  ALA  21           HB1      ALA  21 -10.620   5.828  -6.135
  159    HB2  ALA  21           HB2      ALA  21  -8.909   5.844  -6.590
  160    HB3  ALA  21           HB3      ALA  21  -9.764   4.289  -6.449
  161    H    ILE  22           H        ILE  22  -7.273   6.808  -4.668
  162    HA   ILE  22           HA       ILE  22  -8.300   8.915  -2.905
  163    HB   ILE  22           HB       ILE  22  -6.041   9.401  -4.838
  164   HG12  ILE  22          HG12      ILE  22  -5.344   7.231  -4.058
  165   HG13  ILE  22          HG13      ILE  22  -4.331   8.507  -3.437
  166   HG21  ILE  22          HG21      ILE  22  -5.114  10.649  -2.867
  167   HG22  ILE  22          HG22      ILE  22  -6.682  11.245  -3.386
  168   HG23  ILE  22          HG23      ILE  22  -6.564  10.219  -1.945
  169   HD11  ILE  22          HD11      ILE  22  -5.383   8.320  -1.207
  170   HD12  ILE  22          HD12      ILE  22  -6.511   7.090  -1.827
  171   HD13  ILE  22          HD13      ILE  22  -4.773   6.750  -1.750
  172    H    ASN  23           H        ASN  23  -8.789  11.085  -3.717
  173    HA   ASN  23           HA       ASN  23  -9.734  11.282  -6.558
  174    HB2  ASN  23           HB2      ASN  23 -11.437  11.847  -4.969
  175    HB3  ASN  23           HB3      ASN  23 -10.351  12.873  -4.043
  176   HD21  ASN  23          HD22      ASN  23  -9.550  14.814  -5.085
  177   HD22  ASN  23          HD21      ASN  23 -10.594  15.660  -6.224
  178    H    ILE  24           H        ILE  24  -7.881  11.821  -7.750
  179    HA   ILE  24           HA       ILE  24  -6.742  14.423  -7.028
  180    HB   ILE  24           HB       ILE  24  -4.866  12.243  -7.893
  181   HG12  ILE  24          HG12      ILE  24  -5.690  11.967  -5.488
  182   HG13  ILE  24          HG13      ILE  24  -3.977  11.974  -5.779
  183   HG21  ILE  24          HG21      ILE  24  -3.143  13.956  -7.387
  184   HG22  ILE  24          HG22      ILE  24  -4.258  14.477  -8.655
  185   HG23  ILE  24          HG23      ILE  24  -4.427  15.135  -7.029
  186   HD11  ILE  24          HD11      ILE  24  -5.492  14.431  -4.799
  187   HD12  ILE  24          HD12      ILE  24  -4.699  13.249  -3.741
  188   HD13  ILE  24          HD13      ILE  24  -3.729  14.202  -4.870
  189    HA   PRO  25           HA       PRO  25  -8.527  13.868 -11.341
  190    HB2  PRO  25           HB2      PRO  25  -8.912  16.809 -10.976
  191    HB3  PRO  25           HB3      PRO  25 -10.000  15.590 -11.707
  192    HG2  PRO  25           HG2      PRO  25 -10.331  16.588  -9.125
  193    HG3  PRO  25           HG3      PRO  25 -10.757  14.901  -9.550
  194    HD2  PRO  25           HD2      PRO  25  -8.374  15.931  -8.062
  195    HD3  PRO  25           HD3      PRO  25  -9.252  14.380  -7.925
  196    H    LEU  26           H        LEU  26  -7.768  14.766 -13.425
  197    HA   LEU  26           HA       LEU  26  -5.042  15.031 -13.632
  198    HB2  LEU  26           HB2      LEU  26  -6.376  14.507 -15.526
  199    HB3  LEU  26           HB3      LEU  26  -7.213  16.066 -15.474
  200    HG   LEU  26           HG       LEU  26  -5.069  17.185 -16.138
  201   HD11  LEU  26          HD11      LEU  26  -4.050  14.322 -16.426
  202   HD12  LEU  26          HD12      LEU  26  -3.210  15.780 -16.999
  203   HD13  LEU  26          HD13      LEU  26  -3.444  15.523 -15.267
  204   HD21  LEU  26          HD21      LEU  26  -6.032  14.932 -17.948
  205   HD22  LEU  26          HD22      LEU  26  -6.738  16.548 -17.810
  206   HD23  LEU  26          HD23      LEU  26  -5.108  16.362 -18.470
  207    H    LYS  27           H        LYS  27  -7.385  17.733 -13.421
  208    HA   LYS  27           HA       LYS  27  -5.565  19.888 -13.773
  209    HB2  LYS  27           HB2      LYS  27  -8.143  19.745 -12.135
  210    HB3  LYS  27           HB3      LYS  27  -7.298  21.230 -12.587
  211    HG2  LYS  27           HG2      LYS  27  -7.637  20.713 -14.999
  212    HG3  LYS  27           HG3      LYS  27  -8.484  19.226 -14.564
  213    HD2  LYS  27           HD2      LYS  27 -10.118  20.886 -15.119
  214    HD3  LYS  27           HD3      LYS  27 -10.223  20.561 -13.382
  215    HE2  LYS  27           HE2      LYS  27  -8.915  22.626 -12.918
  216    HE3  LYS  27           HE3      LYS  27  -8.754  22.922 -14.654
  217    HZ1  LYS  27           HZ1      LYS  27 -11.315  22.898 -13.163
  218    HZ2  LYS  27           HZ2      LYS  27 -10.538  24.227 -13.693
  219    HZ3  LYS  27           HZ3      LYS  27 -11.163  23.176 -14.768
  220    H    GLU  28           H        GLU  28  -6.172  17.827 -10.993
  221    HA   GLU  28           HA       GLU  28  -4.952  19.719  -9.091
  222    HB2  GLU  28           HB2      GLU  28  -6.276  16.994  -8.703
  223    HB3  GLU  28           HB3      GLU  28  -5.712  18.050  -7.420
  224    HG2  GLU  28           HG2      GLU  28  -7.947  18.704  -9.412
  225    HG3  GLU  28           HG3      GLU  28  -8.162  18.215  -7.739
  226    H    VAL  29           H        VAL  29  -4.242  16.617 -10.753
  227    HA   VAL  29           HA       VAL  29  -2.282  15.525  -9.213
  228    HB   VAL  29           HB       VAL  29  -2.392  15.781 -12.235
  229   HG11  VAL  29          HG11      VAL  29  -0.825  13.875 -12.397
  230   HG12  VAL  29          HG12      VAL  29  -0.028  15.265 -11.669
  231   HG13  VAL  29          HG13      VAL  29  -0.578  13.921 -10.644
  232   HG21  VAL  29          HG21      VAL  29  -4.205  14.444 -11.160
  233   HG22  VAL  29          HG22      VAL  29  -3.170  13.460 -12.182
  234   HG23  VAL  29          HG23      VAL  29  -2.989  13.401 -10.418
  235    H    LYS  30           H        LYS  30  -1.654  18.165 -11.563
  236    HA   LYS  30           HA       LYS  30   1.106  18.247 -11.248
  237    HB2  LYS  30           HB2      LYS  30  -0.338  19.324 -13.020
  238    HB3  LYS  30           HB3      LYS  30  -0.706  20.615 -11.867
  239    HG2  LYS  30           HG2      LYS  30   1.670  21.267 -11.807
  240    HG3  LYS  30           HG3      LYS  30   2.109  19.851 -12.773
  241    HD2  LYS  30           HD2      LYS  30   2.131  21.816 -14.172
  242    HD3  LYS  30           HD3      LYS  30   0.812  20.754 -14.687
  243    HE2  LYS  30           HE2      LYS  30  -0.814  22.173 -13.448
  244    HE3  LYS  30           HE3      LYS  30   0.508  23.204 -12.883
  245    HZ1  LYS  30           HZ1      LYS  30  -0.286  22.858 -15.718
  246    HZ2  LYS  30           HZ2      LYS  30  -0.608  24.160 -14.795
  247    HZ3  LYS  30           HZ3      LYS  30   0.932  23.814 -15.192
  248    H    GLU  31           H        GLU  31  -1.263  19.449  -8.955
  249    HA   GLU  31           HA       GLU  31   0.906  20.865  -7.456
  250    HB2  GLU  31           HB2      GLU  31  -2.006  21.675  -7.825
  251    HB3  GLU  31           HB3      GLU  31  -0.856  22.464  -6.739
  252    HG2  GLU  31           HG2      GLU  31   0.612  22.974  -8.709
  253    HG3  GLU  31           HG3      GLU  31  -0.634  22.321  -9.775
  254    H    ARG  32           H        ARG  32  -1.166  18.212  -7.354
  255    HA   ARG  32           HA       ARG  32  -1.323  18.319  -4.365
  256    HB2  ARG  32           HB2      ARG  32  -3.424  18.950  -5.665
  257    HB3  ARG  32           HB3      ARG  32  -3.493  17.273  -6.218
  258    HG2  ARG  32           HG2      ARG  32  -3.666  16.507  -3.853
  259    HG3  ARG  32           HG3      ARG  32  -3.559  18.183  -3.304
  260    HD2  ARG  32           HD2      ARG  32  -5.754  16.983  -5.056
  261    HD3  ARG  32           HD3      ARG  32  -5.894  17.311  -3.332
  262    HE   ARG  32           HE       ARG  32  -6.128  19.207  -5.539
  263   HH11  ARG  32          HH11      ARG  32  -5.437  19.036  -2.040
  264   HH12  ARG  32          HH12      ARG  32  -5.870  20.684  -1.773
  265   HH21  ARG  32          HH21      ARG  32  -6.685  21.219  -5.215
  266   HH22  ARG  32          HH22      ARG  32  -6.615  22.013  -3.650
  267    H    ILE  33           H        ILE  33  -0.512  16.262  -7.150
  268    HA   ILE  33           HA       ILE  33  -1.253  13.843  -5.942
  269    HB   ILE  33           HB       ILE  33  -0.731  14.131  -8.322
  270   HG12  ILE  33          HG12      ILE  33   0.456  11.955  -8.687
  271   HG13  ILE  33          HG13      ILE  33   0.822  11.879  -6.980
  272   HG21  ILE  33          HG21      ILE  33   2.230  13.835  -7.785
  273   HG22  ILE  33          HG22      ILE  33   1.386  14.382  -9.258
  274   HG23  ILE  33          HG23      ILE  33   1.486  15.438  -7.861
  275   HD11  ILE  33          HD11      ILE  33  -1.973  11.949  -8.216
  276   HD12  ILE  33          HD12      ILE  33  -1.130  10.503  -7.634
  277   HD13  ILE  33          HD13      ILE  33  -1.613  11.755  -6.482
  278    H    ALA  34           H        ALA  34   1.648  15.768  -5.307
  279    HA   ALA  34           HA       ALA  34   3.196  13.829  -3.992
  280    HB1  ALA  34           HB1      ALA  34   4.241  15.736  -2.839
  281    HB2  ALA  34           HB2      ALA  34   4.002  16.086  -4.561
  282    HB3  ALA  34           HB3      ALA  34   2.908  16.794  -3.344
  283    H    THR  35           H        THR  35   0.210  15.388  -2.865
  284    HA   THR  35           HA       THR  35   0.548  14.806  -0.081
  285    HB   THR  35           HB       THR  35  -2.162  14.851  -1.425
  286    HG1  THR  35           HG1      THR  35  -1.326  16.503  -2.458
  287   HG21  THR  35          HG21      THR  35  -2.760  16.186   0.563
  288   HG22  THR  35          HG22      THR  35  -2.021  14.648   1.039
  289   HG23  THR  35          HG23      THR  35  -1.068  16.145   1.116
  290    H    ALA  36           H        ALA  36  -0.595  12.931  -2.877
  291    HA   ALA  36           HA       ALA  36  -1.567  10.710  -1.181
  292    HB1  ALA  36           HB1      ALA  36  -2.423   9.853  -3.332
  293    HB2  ALA  36           HB2      ALA  36  -2.956  11.528  -3.053
  294    HB3  ALA  36           HB3      ALA  36  -1.639  11.190  -4.194
  295    H    VAL  37           H        VAL  37   1.114  11.585  -3.314
  296    HA   VAL  37           HA       VAL  37   2.378   8.924  -2.922
  297    HB   VAL  37           HB       VAL  37   2.483  10.467  -5.534
  298   HG11  VAL  37          HG11      VAL  37   4.192   8.646  -4.913
  299   HG12  VAL  37          HG12      VAL  37   2.850   7.496  -4.964
  300   HG13  VAL  37          HG13      VAL  37   3.309   8.396  -6.422
  301   HG21  VAL  37          HG21      VAL  37   0.854   8.886  -6.485
  302   HG22  VAL  37          HG22      VAL  37   0.498   8.261  -4.859
  303   HG23  VAL  37          HG23      VAL  37   0.116   9.945  -5.295
  304    HA   PRO  38           HA       PRO  38   4.778  12.627  -1.585
  305    HB2  PRO  38           HB2      PRO  38   5.853  11.675   0.763
  306    HB3  PRO  38           HB3      PRO  38   4.186  12.304   0.601
  307    HG2  PRO  38           HG2      PRO  38   5.105   9.417   0.529
  308    HG3  PRO  38           HG3      PRO  38   3.739  10.130   1.452
  309    HD2  PRO  38           HD2      PRO  38   3.363   8.868  -0.931
  310    HD3  PRO  38           HD3      PRO  38   2.405  10.310  -0.475
  311    H    ASP  39           H        ASP  39   5.918   9.449  -2.438
  312    HA   ASP  39           HA       ASP  39   8.355  10.686  -3.428
  313    HB2  ASP  39           HB2      ASP  39   9.206   9.859  -1.287
  314    HB3  ASP  39           HB3      ASP  39   8.485   8.270  -1.581
  315    H    LYS  40           H        LYS  40   9.259   9.435  -5.105
  316    HA   LYS  40           HA       LYS  40   7.316   8.601  -6.916
  317    HB2  LYS  40           HB2      LYS  40   9.162   8.157  -8.423
  318    HB3  LYS  40           HB3      LYS  40   9.492   9.606  -7.480
  319    HG2  LYS  40           HG2      LYS  40  10.834   7.915  -5.903
  320    HG3  LYS  40           HG3      LYS  40  10.731   6.839  -7.289
  321    HD2  LYS  40           HD2      LYS  40  12.835   7.949  -7.443
  322    HD3  LYS  40           HD3      LYS  40  11.805   8.637  -8.693
  323    HE2  LYS  40           HE2      LYS  40  13.040  10.423  -7.655
  324    HE3  LYS  40           HE3      LYS  40  11.346  10.609  -7.212
  325    HZ1  LYS  40           HZ1      LYS  40  12.878  10.935  -5.346
  326    HZ2  LYS  40           HZ2      LYS  40  11.867   9.705  -5.012
  327    HZ3  LYS  40           HZ3      LYS  40  13.422   9.407  -5.463
  328    H    ASN  41           H        ASN  41   9.032   6.586  -4.619
  329    HA   ASN  41           HA       ASN  41   9.082   4.186  -6.102
  330    HB2  ASN  41           HB2      ASN  41  10.457   4.583  -4.099
  331    HB3  ASN  41           HB3      ASN  41   9.008   4.625  -3.088
  332   HD21  ASN  41          HD22      ASN  41   8.501   2.674  -2.084
  333   HD22  ASN  41          HD21      ASN  41   9.007   1.109  -2.658
  334    H    ASP  42           H        ASP  42   6.432   5.607  -4.190
  335    HA   ASP  42           HA       ASP  42   4.933   3.122  -3.940
  336    HB2  ASP  42           HB2      ASP  42   4.484   4.865  -2.381
  337    HB3  ASP  42           HB3      ASP  42   4.134   6.023  -3.681
  338    H    THR  43           H        THR  43   3.381   2.333  -5.243
  339    HA   THR  43           HA       THR  43   3.676   3.136  -8.046
  340    HB   THR  43           HB       THR  43   2.013   0.831  -7.027
  341    HG1  THR  43           HG1      THR  43   3.906   0.451  -6.094
  342   HG21  THR  43          HG21      THR  43   3.596   1.205  -9.601
  343   HG22  THR  43          HG22      THR  43   2.648  -0.230  -9.153
  344   HG23  THR  43          HG23      THR  43   1.830   1.312  -9.442
  345    H    VAL  44           H        VAL  44   2.080   3.989  -9.349
  346    HA   VAL  44           HA       VAL  44  -0.377   4.921  -7.935
  347    HB   VAL  44           HB       VAL  44   0.981   6.419 -10.182
  348   HG11  VAL  44          HG11      VAL  44  -0.164   8.321  -9.247
  349   HG12  VAL  44          HG12      VAL  44  -1.353   7.008  -9.338
  350   HG13  VAL  44          HG13      VAL  44  -0.604   7.415  -7.785
  351   HG21  VAL  44          HG21      VAL  44   1.734   6.618  -7.248
  352   HG22  VAL  44          HG22      VAL  44   2.804   6.212  -8.607
  353   HG23  VAL  44          HG23      VAL  44   2.129   7.835  -8.488
  354    H    LYS  45           H        LYS  45  -1.855   3.425  -8.609
  355    HA   LYS  45           HA       LYS  45  -2.086   2.691 -11.469
  356    HB2  LYS  45           HB2      LYS  45  -3.858   2.046  -9.060
  357    HB3  LYS  45           HB3      LYS  45  -4.067   1.410 -10.681
  358    HG2  LYS  45           HG2      LYS  45  -1.732   0.877  -8.794
  359    HG3  LYS  45           HG3      LYS  45  -3.037  -0.230  -9.217
  360    HD2  LYS  45           HD2      LYS  45  -2.230  -0.199 -11.616
  361    HD3  LYS  45           HD3      LYS  45  -0.889   0.834 -11.108
  362    HE2  LYS  45           HE2      LYS  45  -0.025  -1.371 -11.222
  363    HE3  LYS  45           HE3      LYS  45  -0.136  -0.940  -9.514
  364    HZ1  LYS  45           HZ1      LYS  45  -2.065  -2.654 -10.985
  365    HZ2  LYS  45           HZ2      LYS  45  -0.936  -3.182  -9.941
  366    HZ3  LYS  45           HZ3      LYS  45  -2.175  -2.277  -9.394
  367    H    VAL  46           H        VAL  46  -2.427   4.675 -12.485
  368    HA   VAL  46           HA       VAL  46  -4.540   6.453 -11.441
  369    HB   VAL  46           HB       VAL  46  -3.954   7.874 -13.401
  370   HG11  VAL  46          HG11      VAL  46  -1.609   7.185 -11.596
  371   HG12  VAL  46          HG12      VAL  46  -1.892   8.726 -12.427
  372   HG13  VAL  46          HG13      VAL  46  -2.989   8.214 -11.138
  373   HG21  VAL  46          HG21      VAL  46  -2.929   6.236 -14.942
  374   HG22  VAL  46          HG22      VAL  46  -1.845   7.577 -14.587
  375   HG23  VAL  46          HG23      VAL  46  -1.580   6.011 -13.804
  376    H    TYR  47           H        TYR  47  -6.595   6.634 -12.295
  377    HA   TYR  47           HA       TYR  47  -7.192   5.516 -14.930
  378    HB2  TYR  47           HB2      TYR  47  -8.925   4.072 -14.260
  379    HB3  TYR  47           HB3      TYR  47  -7.540   3.608 -13.288
  380    HD1  TYR  47           HD2      TYR  47  -7.441   4.410 -10.836
  381    HD2  TYR  47           HD1      TYR  47 -10.960   4.829 -13.303
  382    HE1  TYR  47           HE2      TYR  47  -8.807   4.827  -8.821
  383    HE2  TYR  47           HE1      TYR  47 -12.316   5.315 -11.298
  384    HH   TYR  47           HH       TYR  47 -10.930   5.323  -8.007
  385    H    CYS  48           H        CYS  48  -9.615   6.110 -15.400
  386    HA   CYS  48           HA       CYS  48 -10.802   8.118 -13.715
  387    HB2  CYS  48           HB2      CYS  48 -10.924   9.903 -15.465
  388    HB3  CYS  48           HB3      CYS  48  -9.277   9.584 -14.920
  389    HG   CYS  48           HG       CYS  48  -8.607   7.997 -16.828
  390    H    ASN  49           H        ASN  49 -12.603   8.956 -16.015
  391    HA   ASN  49           HA       ASN  49 -14.548   6.942 -15.707
  392    HB2  ASN  49           HB2      ASN  49 -14.870   9.347 -16.494
  393    HB3  ASN  49           HB3      ASN  49 -14.327   8.838 -18.089
  394   HD21  ASN  49          HD22      ASN  49 -15.736   6.198 -18.139
  395   HD22  ASN  49          HD21      ASN  49 -17.423   6.634 -18.306
  396    H    ALA  50           H        ALA  50 -12.330   7.492 -18.472
  397    HA   ALA  50           HA       ALA  50 -12.711   4.657 -19.323
  398    HB1  ALA  50           HB1      ALA  50 -14.237   6.113 -20.604
  399    HB2  ALA  50           HB2      ALA  50 -12.859   7.118 -21.115
  400    HB3  ALA  50           HB3      ALA  50 -12.974   5.425 -21.639
  401    H    GLY  51           H        GLY  51 -10.439   7.316 -18.897
  402    HA2  GLY  51           HA2      GLY  51  -8.208   6.045 -18.655
  403    HA3  GLY  51           HA3      GLY  51  -8.334   5.842 -20.403
  404    H    ARG  52           H        ARG  52  -9.533   8.641 -20.715
  405    HA   ARG  52           HA       ARG  52  -7.138   9.819 -21.547
  406    HB2  ARG  52           HB2      ARG  52  -9.778  11.216 -20.955
  407    HB3  ARG  52           HB3      ARG  52  -8.417  11.911 -21.848
  408    HG2  ARG  52           HG2      ARG  52  -8.598  10.025 -23.508
  409    HG3  ARG  52           HG3      ARG  52 -10.082   9.506 -22.699
  410    HD2  ARG  52           HD2      ARG  52  -9.600  12.210 -24.034
  411    HD3  ARG  52           HD3      ARG  52 -10.537  10.879 -24.694
  412    HE   ARG  52           HE       ARG  52 -12.245  11.197 -23.112
  413   HH11  ARG  52          HH11      ARG  52  -9.770  13.744 -22.851
  414   HH12  ARG  52          HH12      ARG  52 -10.795  14.835 -21.997
  415   HH21  ARG  52          HH21      ARG  52 -13.593  12.655 -21.976
  416   HH22  ARG  52          HH22      ARG  52 -13.009  14.198 -21.487
  417    H    GLN  53           H        GLN  53  -8.884  10.917 -18.599
  418    HA   GLN  53           HA       GLN  53  -6.918  12.944 -18.106
  419    HB2  GLN  53           HB2      GLN  53  -8.712  11.526 -16.090
  420    HB3  GLN  53           HB3      GLN  53  -7.719  12.904 -15.752
  421    HG2  GLN  53           HG2      GLN  53 -10.284  12.824 -17.267
  422    HG3  GLN  53           HG3      GLN  53  -9.802  13.800 -15.859
  423   HE21  GLN  53          HE22      GLN  53  -8.764  13.373 -19.320
  424   HE22  GLN  53          HE21      GLN  53  -8.581  15.074 -19.617
  425    H    SER  54           H        SER  54  -7.031   9.534 -17.157
  426    HA   SER  54           HA       SER  54  -4.762   9.745 -15.376
  427    HB2  SER  54           HB2      SER  54  -4.926   7.127 -15.755
  428    HB3  SER  54           HB3      SER  54  -6.076   8.035 -14.768
  429    HG   SER  54           HG       SER  54  -6.466   7.168 -17.450
  430    H    GLY  55           H        GLY  55  -5.136   8.702 -18.819
  431    HA2  GLY  55           HA2      GLY  55  -2.392   7.952 -19.192
  432    HA3  GLY  55           HA3      GLY  55  -3.556   8.422 -20.450
  433    H    GLN  56           H        GLN  56  -4.217  10.998 -19.708
  434    HA   GLN  56           HA       GLN  56  -2.110  12.675 -20.557
  435    HB2  GLN  56           HB2      GLN  56  -4.771  13.052 -19.140
  436    HB3  GLN  56           HB3      GLN  56  -3.670  14.431 -19.345
  437    HG2  GLN  56           HG2      GLN  56  -3.656  14.060 -21.792
  438    HG3  GLN  56           HG3      GLN  56  -4.698  12.649 -21.605
  439   HE21  GLN  56          HE22      GLN  56  -4.579  16.207 -21.460
  440   HE22  GLN  56          HE21      GLN  56  -6.307  16.439 -21.447
  441    H    ALA  57           H        ALA  57  -3.212  11.865 -17.198
  442    HA   ALA  57           HA       ALA  57  -1.371  13.545 -15.914
  443    HB1  ALA  57           HB1      ALA  57  -3.261  12.631 -14.747
  444    HB2  ALA  57           HB2      ALA  57  -2.624  10.970 -14.902
  445    HB3  ALA  57           HB3      ALA  57  -1.771  12.163 -13.909
  446    H    LYS  58           H        LYS  58  -0.782  10.286 -17.319
  447    HA   LYS  58           HA       LYS  58   1.642   9.799 -15.897
  448    HB2  LYS  58           HB2      LYS  58   0.975   8.968 -18.755
  449    HB3  LYS  58           HB3      LYS  58   2.328   8.388 -17.786
  450    HG2  LYS  58           HG2      LYS  58   0.537   7.680 -16.039
  451    HG3  LYS  58           HG3      LYS  58  -0.624   7.849 -17.358
  452    HD2  LYS  58           HD2      LYS  58   1.855   6.069 -17.370
  453    HD3  LYS  58           HD3      LYS  58   0.206   5.526 -17.052
  454    HE2  LYS  58           HE2      LYS  58  -0.510   6.083 -19.304
  455    HE3  LYS  58           HE3      LYS  58   1.041   6.851 -19.665
  456    HZ1  LYS  58           HZ1      LYS  58   0.857   4.582 -20.555
  457    HZ2  LYS  58           HZ2      LYS  58   2.112   4.721 -19.529
  458    HZ3  LYS  58           HZ3      LYS  58   0.753   3.952 -19.045
  459    H    GLU  59           H        GLU  59   0.996  12.001 -18.629
  460    HA   GLU  59           HA       GLU  59   3.749  12.257 -19.403
  461    HB2  GLU  59           HB2      GLU  59   1.430  14.205 -19.789
  462    HB3  GLU  59           HB3      GLU  59   3.003  14.286 -20.586
  463    HG2  GLU  59           HG2      GLU  59   2.574  12.011 -21.575
  464    HG3  GLU  59           HG3      GLU  59   0.949  12.051 -20.886
  465    H    ILE  60           H        ILE  60   1.619  14.401 -17.344
  466    HA   ILE  60           HA       ILE  60   3.798  16.090 -16.615
  467    HB   ILE  60           HB       ILE  60   2.270  16.963 -14.914
  468   HG12  ILE  60          HG12      ILE  60   0.411  14.739 -15.790
  469   HG13  ILE  60          HG13      ILE  60   1.112  14.947 -14.175
  470   HG21  ILE  60          HG21      ILE  60   2.230  17.677 -17.328
  471   HG22  ILE  60          HG22      ILE  60   0.852  16.586 -17.587
  472   HG23  ILE  60          HG23      ILE  60   0.718  17.962 -16.472
  473   HD11  ILE  60          HD11      ILE  60  -0.220  17.003 -13.882
  474   HD12  ILE  60          HD12      ILE  60  -0.964  16.727 -15.495
  475   HD13  ILE  60          HD13      ILE  60  -1.213  15.563 -14.197
  476    H    LEU  61           H        LEU  61   2.484  13.077 -15.140
  477    HA   LEU  61           HA       LEU  61   4.032  13.332 -12.755
  478    HB2  LEU  61           HB2      LEU  61   2.806  10.941 -14.179
  479    HB3  LEU  61           HB3      LEU  61   3.682  10.785 -12.660
  480    HG   LEU  61           HG       LEU  61   1.327  12.686 -12.955
  481   HD11  LEU  61          HD11      LEU  61   1.266   9.843 -11.860
  482   HD12  LEU  61          HD12      LEU  61  -0.074  11.007 -11.866
  483   HD13  LEU  61          HD13      LEU  61   0.544  10.381 -13.398
  484   HD21  LEU  61          HD21      LEU  61   2.820  13.155 -11.041
  485   HD22  LEU  61          HD22      LEU  61   1.257  12.544 -10.540
  486   HD23  LEU  61          HD23      LEU  61   2.665  11.464 -10.504
  487    H    SER  62           H        SER  62   4.820  11.913 -15.943
  488    HA   SER  62           HA       SER  62   7.365  10.860 -15.148
  489    HB2  SER  62           HB2      SER  62   6.468  11.895 -17.874
  490    HB3  SER  62           HB3      SER  62   7.860  10.850 -17.546
  491    HG   SER  62           HG       SER  62   5.096  10.281 -17.212
  492    H    GLU  63           H        GLU  63   6.331  14.095 -16.400
  493    HA   GLU  63           HA       GLU  63   8.957  15.209 -16.472
  494    HB2  GLU  63           HB2      GLU  63   6.944  16.090 -17.646
  495    HB3  GLU  63           HB3      GLU  63   6.277  16.615 -16.095
  496    HG2  GLU  63           HG2      GLU  63   8.193  18.133 -15.760
  497    HG3  GLU  63           HG3      GLU  63   8.940  17.548 -17.250
  498    H    MET  64           H        MET  64   6.475  15.077 -13.900
  499    HA   MET  64           HA       MET  64   7.948  16.577 -11.940
  500    HB2  MET  64           HB2      MET  64   5.630  14.617 -11.749
  501    HB3  MET  64           HB3      MET  64   6.256  15.516 -10.364
  502    HG2  MET  64           HG2      MET  64   5.659  17.631 -11.322
  503    HG3  MET  64           HG3      MET  64   5.336  16.919 -12.890
  504    HE1  MET  64           HE1      MET  64   2.511  16.945  -9.258
  505    HE2  MET  64           HE2      MET  64   4.084  16.126  -9.123
  506    HE3  MET  64           HE3      MET  64   4.009  17.874  -9.451
  507    H    GLY  65           H        GLY  65   8.477  13.413 -13.187
  508    HA2  GLY  65           HA2      GLY  65  10.477  12.328 -12.797
  509    HA3  GLY  65           HA3      GLY  65  10.622  13.070 -11.202
  510    H    TYR  66           H        TYR  66   7.497  11.597 -11.849
  511    HA   TYR  66           HA       TYR  66   8.087   9.430  -9.950
  512    HB2  TYR  66           HB2      TYR  66   5.591  10.037 -11.571
  513    HB3  TYR  66           HB3      TYR  66   5.792   8.691 -10.448
  514    HD1  TYR  66           HD1      TYR  66   5.600  12.432 -10.625
  515    HD2  TYR  66           HD2      TYR  66   5.559   8.936  -8.106
  516    HE1  TYR  66           HE1      TYR  66   4.923  13.835  -8.693
  517    HE2  TYR  66           HE2      TYR  66   4.994  10.347  -6.156
  518    HH   TYR  66           HH       TYR  66   4.446  12.428  -5.402
  519    H    THR  67           H        THR  67   8.162   7.254 -10.502
  520    HA   THR  67           HA       THR  67   8.564   6.542 -13.359
  521    HB   THR  67           HB       THR  67  10.542   5.198 -12.255
  522    HG1  THR  67           HG1      THR  67  11.295   6.048 -10.377
  523   HG21  THR  67          HG21      THR  67  10.741   8.238 -12.427
  524   HG22  THR  67          HG22      THR  67  12.071   7.068 -12.548
  525   HG23  THR  67          HG23      THR  67  10.832   7.125 -13.811
  526    H    HIS  68           H        HIS  68   6.445   5.939 -11.032
  527    HA   HIS  68           HA       HIS  68   6.274   3.008 -11.515
  528    HB2  HIS  68           HB2      HIS  68   5.954   4.406  -8.827
  529    HB3  HIS  68           HB3      HIS  68   5.666   2.700  -9.146
  530    HD1  HIS  68           HD1      HIS  68   7.711   1.129  -8.747
  531    HD2  HIS  68           HD2      HIS  68   8.654   5.204  -9.205
  532    HE1  HIS  68           HE1      HIS  68  10.196   1.343  -8.242
  533    H    VAL  69           H        VAL  69   4.905   4.960 -12.990
  534    HA   VAL  69           HA       VAL  69   2.141   4.975 -11.847
  535    HB   VAL  69           HB       VAL  69   3.316   6.786 -13.998
  536   HG11  VAL  69          HG11      VAL  69   0.756   7.065 -12.364
  537   HG12  VAL  69          HG12      VAL  69   1.333   8.145 -13.653
  538   HG13  VAL  69          HG13      VAL  69   0.838   6.501 -14.042
  539   HG21  VAL  69          HG21      VAL  69   3.292   8.585 -12.269
  540   HG22  VAL  69          HG22      VAL  69   2.979   7.362 -11.024
  541   HG23  VAL  69          HG23      VAL  69   4.494   7.343 -11.952
  542    H    GLU  70           H        GLU  70   0.547   3.934 -13.087
  543    HA   GLU  70           HA       GLU  70   1.049   3.564 -15.913
  544    HB2  GLU  70           HB2      GLU  70   2.034   1.477 -14.970
  545    HB3  GLU  70           HB3      GLU  70   0.504   1.120 -14.167
  546    HG2  GLU  70           HG2      GLU  70   0.787  -0.183 -16.235
  547    HG3  GLU  70           HG3      GLU  70  -0.618   0.862 -16.331
  548    H    ASN  71           H        ASN  71  -0.898   3.300 -17.065
  549    HA   ASN  71           HA       ASN  71  -3.274   4.206 -15.589
  550    HB2  ASN  71           HB2      ASN  71  -2.968   5.373 -17.661
  551    HB3  ASN  71           HB3      ASN  71  -2.760   3.852 -18.554
  552   HD21  ASN  71          HD22      ASN  71  -5.257   4.785 -16.025
  553   HD22  ASN  71          HD21      ASN  71  -6.607   4.452 -17.083
  554    H    ALA  72           H        ALA  72  -4.250   2.629 -14.496
  555    HA   ALA  72           HA       ALA  72  -4.005  -0.148 -15.151
  556    HB1  ALA  72           HB1      ALA  72  -5.959   1.301 -13.311
  557    HB2  ALA  72           HB2      ALA  72  -5.647  -0.451 -13.333
  558    HB3  ALA  72           HB3      ALA  72  -4.354   0.667 -12.866
  559    H    GLY  73           H        GLY  73  -6.398   2.310 -16.094
  560    HA2  GLY  73           HA2      GLY  73  -7.553   1.190 -18.260
  561    HA3  GLY  73           HA3      GLY  73  -8.392   0.352 -16.939
  562    H    GLY  74           H        GLY  74 -10.392   1.333 -17.201
  563    HA2  GLY  74           HA2      GLY  74 -10.566   4.028 -16.047
  564    HA3  GLY  74           HA3      GLY  74 -11.454   3.725 -17.552
  565    H    LEU  75           H        LEU  75 -12.815   4.373 -15.270
  566    HA   LEU  75           HA       LEU  75 -13.484   2.521 -13.375
  567    HB2  LEU  75           HB2      LEU  75 -14.150   4.941 -13.550
  568    HB3  LEU  75           HB3      LEU  75 -15.379   4.517 -14.723
  569    HG   LEU  75           HG       LEU  75 -16.218   4.959 -12.462
  570   HD11  LEU  75          HD11      LEU  75 -17.533   3.467 -13.914
  571   HD12  LEU  75          HD12      LEU  75 -16.805   2.056 -13.105
  572   HD13  LEU  75          HD13      LEU  75 -17.783   3.180 -12.189
  573   HD21  LEU  75          HD21      LEU  75 -14.317   4.099 -11.176
  574   HD22  LEU  75          HD22      LEU  75 -15.876   3.515 -10.582
  575   HD23  LEU  75          HD23      LEU  75 -14.836   2.431 -11.531
  576    H    LYS  76           H        LYS  76 -15.025   2.884 -16.574
  577    HA   LYS  76           HA       LYS  76 -17.025   0.873 -16.117
  578    HB2  LYS  76           HB2      LYS  76 -16.029   2.061 -18.743
  579    HB3  LYS  76           HB3      LYS  76 -17.555   1.219 -18.504
  580    HG2  LYS  76           HG2      LYS  76 -16.797   3.897 -17.254
  581    HG3  LYS  76           HG3      LYS  76 -17.839   3.653 -18.651
  582    HD2  LYS  76           HD2      LYS  76 -19.473   2.426 -17.249
  583    HD3  LYS  76           HD3      LYS  76 -18.447   2.675 -15.823
  584    HE2  LYS  76           HE2      LYS  76 -18.620   5.154 -16.155
  585    HE3  LYS  76           HE3      LYS  76 -19.664   4.871 -17.557
  586    HZ1  LYS  76           HZ1      LYS  76 -20.300   4.348 -14.710
  587    HZ2  LYS  76           HZ2      LYS  76 -21.047   5.343 -15.745
  588    HZ3  LYS  76           HZ3      LYS  76 -21.208   3.735 -15.950
  589    H    ASP  77           H        ASP  77 -13.750   0.328 -16.506
  590    HA   ASP  77           HA       ASP  77 -14.176  -2.284 -17.910
  591    HB2  ASP  77           HB2      ASP  77 -13.136  -0.677 -19.421
  592    HB3  ASP  77           HB3      ASP  77 -11.908  -0.289 -18.214
  593    H    ILE  78           H        ILE  78 -12.426  -0.484 -15.367
  594    HA   ILE  78           HA       ILE  78 -10.706  -2.573 -14.495
  595    HB   ILE  78           HB       ILE  78 -11.948  -0.126 -13.191
  596   HG12  ILE  78          HG12      ILE  78  -9.024  -0.753 -13.811
  597   HG13  ILE  78          HG13      ILE  78 -10.092  -0.057 -15.019
  598   HG21  ILE  78          HG21      ILE  78 -11.628  -1.640 -11.325
  599   HG22  ILE  78          HG22      ILE  78  -9.984  -2.067 -11.882
  600   HG23  ILE  78          HG23      ILE  78 -10.347  -0.445 -11.276
  601   HD11  ILE  78          HD11      ILE  78  -8.801   1.678 -13.965
  602   HD12  ILE  78          HD12      ILE  78 -10.522   1.899 -13.583
  603   HD13  ILE  78          HD13      ILE  78  -9.413   1.255 -12.359
  604    H    ALA  79           H        ALA  79 -11.047  -4.365 -13.251
  605    HA   ALA  79           HA       ALA  79 -13.760  -5.323 -13.089
  606    HB1  ALA  79           HB1      ALA  79 -11.851  -6.739 -13.774
  607    HB2  ALA  79           HB2      ALA  79 -11.143  -6.578 -12.146
  608    HB3  ALA  79           HB3      ALA  79 -12.691  -7.418 -12.370
  609    H    MET  80           H        MET  80 -11.775  -3.649 -10.785
  610    HA   MET  80           HA       MET  80 -12.588  -4.923  -8.383
  611    HB2  MET  80           HB2      MET  80 -11.551  -2.135  -9.008
  612    HB3  MET  80           HB3      MET  80 -11.978  -2.620  -7.369
  613    HG2  MET  80           HG2      MET  80 -10.392  -4.506  -7.480
  614    HG3  MET  80           HG3      MET  80  -9.951  -4.043  -9.124
  615    HE1  MET  80           HE1      MET  80 -10.537  -1.597  -5.932
  616    HE2  MET  80           HE2      MET  80  -9.810  -3.098  -5.306
  617    HE3  MET  80           HE3      MET  80  -8.875  -1.586  -5.318
  618    HA   PRO  81           HA       PRO  81 -16.676  -3.293  -7.478
  619    HB2  PRO  81           HB2      PRO  81 -15.534  -2.525  -4.789
  620    HB3  PRO  81           HB3      PRO  81 -17.045  -3.414  -5.153
  621    HG2  PRO  81           HG2      PRO  81 -14.843  -4.736  -4.282
  622    HG3  PRO  81           HG3      PRO  81 -15.836  -5.419  -5.612
  623    HD2  PRO  81           HD2      PRO  81 -13.246  -3.865  -5.808
  624    HD3  PRO  81           HD3      PRO  81 -13.742  -5.360  -6.659
  625    H    LYS  82           H        LYS  82 -17.809  -1.300  -6.868
  626    HA   LYS  82           HA       LYS  82 -16.185   1.186  -7.059
  627    HB2  LYS  82           HB2      LYS  82 -18.768   0.587  -8.588
  628    HB3  LYS  82           HB3      LYS  82 -17.996   2.159  -8.452
  629    HG2  LYS  82           HG2      LYS  82 -17.200   1.557 -10.475
  630    HG3  LYS  82           HG3      LYS  82 -15.884   0.956  -9.457
  631    HD2  LYS  82           HD2      LYS  82 -16.947  -1.333  -9.592
  632    HD3  LYS  82           HD3      LYS  82 -18.161  -0.667 -10.695
  633    HE2  LYS  82           HE2      LYS  82 -16.484  -0.140 -12.359
  634    HE3  LYS  82           HE3      LYS  82 -15.171  -0.406 -11.201
  635    HZ1  LYS  82           HZ1      LYS  82 -15.721  -2.714 -11.123
  636    HZ2  LYS  82           HZ2      LYS  82 -16.940  -2.539 -12.234
  637    HZ3  LYS  82           HZ3      LYS  82 -15.365  -2.274 -12.650
  638    H    VAL  83           H        VAL  83 -17.411   3.059  -6.309
  639    HA   VAL  83           HA       VAL  83 -19.711   2.502  -4.543
  640    HB   VAL  83           HB       VAL  83 -18.789   4.092  -2.868
  641   HG11  VAL  83          HG11      VAL  83 -18.628   1.647  -2.515
  642   HG12  VAL  83          HG12      VAL  83 -17.022   1.643  -3.275
  643   HG13  VAL  83          HG13      VAL  83 -17.289   2.523  -1.756
  644   HG21  VAL  83          HG21      VAL  83 -16.131   3.789  -4.349
  645   HG22  VAL  83          HG22      VAL  83 -17.118   5.255  -4.268
  646   HG23  VAL  83          HG23      VAL  83 -16.391   4.605  -2.793
  647    H    LYS  84           H        LYS  84 -21.007   4.500  -4.261
  648    HA   LYS  84           HA       LYS  84 -20.669   6.445  -6.460
  649    HB2  LYS  84           HB2      LYS  84 -23.071   4.601  -6.078
  650    HB3  LYS  84           HB3      LYS  84 -23.060   6.015  -7.133
  651    HG2  LYS  84           HG2      LYS  84 -21.141   5.010  -8.410
  652    HG3  LYS  84           HG3      LYS  84 -21.329   3.528  -7.465
  653    HD2  LYS  84           HD2      LYS  84 -23.457   4.779  -9.253
  654    HD3  LYS  84           HD3      LYS  84 -22.416   3.414  -9.683
  655    HE2  LYS  84           HE2      LYS  84 -23.362   2.097  -7.788
  656    HE3  LYS  84           HE3      LYS  84 -24.436   3.446  -7.393
  657    HZ1  LYS  84           HZ1      LYS  84 -24.474   1.933  -9.941
  658    HZ2  LYS  84           HZ2      LYS  84 -25.558   1.791  -8.735
  659    HZ3  LYS  84           HZ3      LYS  84 -25.465   3.182  -9.575
  660    H    GLY  85           H        GLY  85 -22.480   8.120  -6.341
  661    HA2  GLY  85           HA2      GLY  85 -23.916   8.550  -3.913
  662    HA3  GLY  85           HA3      GLY  85 -22.415   9.502  -3.922
  Start of MODEL   21
    1    H1   ALA   1           H1       ALA   1   5.212  -0.874  -3.832
    2    H2   ALA   1           H2       ALA   1   5.038  -1.692  -2.414
    3    H3   ALA   1           H3       ALA   1   4.045  -2.005  -3.682
    4    HA   ALA   1           HA       ALA   1   2.868  -0.717  -2.079
    5    HB1  ALA   1           HB1      ALA   1   3.587   1.576  -1.556
    6    HB2  ALA   1           HB2      ALA   1   4.823   0.412  -1.055
    7    HB3  ALA   1           HB3      ALA   1   5.052   1.369  -2.538
    8    H    GLU   2           H        GLU   2   1.122   0.500  -2.888
    9    HA   GLU   2           HA       GLU   2   1.384   1.906  -5.425
   10    HB2  GLU   2           HB2      GLU   2  -0.370   0.718  -6.554
   11    HB3  GLU   2           HB3      GLU   2   0.841  -0.466  -6.071
   12    HG2  GLU   2           HG2      GLU   2  -0.631  -1.050  -4.093
   13    HG3  GLU   2           HG3      GLU   2  -1.859   0.040  -4.748
   14    H    HIS   3           H        HIS   3  -0.593   3.169  -5.847
   15    HA   HIS   3           HA       HIS   3  -2.642   3.357  -3.763
   16    HB2  HIS   3           HB2      HIS   3  -0.908   5.712  -4.652
   17    HB3  HIS   3           HB3      HIS   3  -2.504   5.906  -3.940
   18    HD1  HIS   3           HD1      HIS   3  -2.756   5.085  -1.291
   19    HD2  HIS   3           HD2      HIS   3   1.094   5.430  -2.951
   20    HE1  HIS   3           HE1      HIS   3  -1.138   5.169   0.669
   21    H    TRP   4           H        TRP   4  -4.583   4.323  -4.699
   22    HA   TRP   4           HA       TRP   4  -4.636   4.220  -7.685
   23    HB2  TRP   4           HB2      TRP   4  -6.659   3.326  -5.594
   24    HB3  TRP   4           HB3      TRP   4  -7.089   3.630  -7.260
   25    HD1  TRP   4           HD1      TRP   4  -4.291   1.504  -5.564
   26    HE1  TRP   4           HE1      TRP   4  -3.998  -0.669  -6.849
   27    HE3  TRP   4           HE3      TRP   4  -7.988   2.155  -9.055
   28    HZ2  TRP   4           HZ2      TRP   4  -5.324  -2.054  -9.030
   29    HZ3  TRP   4           HZ3      TRP   4  -8.452   0.379 -10.714
   30    HH2  TRP   4           HH2      TRP   4  -7.126  -1.721 -10.720
   31    H    ILE   5           H        ILE   5  -4.777   6.227  -8.458
   32    HA   ILE   5           HA       ILE   5  -6.308   8.270  -6.908
   33    HB   ILE   5           HB       ILE   5  -4.009   8.665  -8.869
   34   HG12  ILE   5          HG12      ILE   5  -2.787   9.710  -7.004
   35   HG13  ILE   5          HG13      ILE   5  -4.024   9.228  -5.861
   36   HG21  ILE   5          HG21      ILE   5  -5.698  10.488  -8.954
   37   HG22  ILE   5          HG22      ILE   5  -5.572  10.687  -7.198
   38   HG23  ILE   5          HG23      ILE   5  -4.187  11.050  -8.254
   39   HD11  ILE   5          HD11      ILE   5  -3.353   6.951  -5.980
   40   HD12  ILE   5          HD12      ILE   5  -2.470   7.195  -7.510
   41   HD13  ILE   5          HD13      ILE   5  -1.848   7.865  -5.989
   42    H    ASP   6           H        ASP   6  -8.280   8.445  -7.785
   43    HA   ASP   6           HA       ASP   6  -8.883   7.987 -10.614
   44    HB2  ASP   6           HB2      ASP   6 -10.525   7.754  -8.708
   45    HB3  ASP   6           HB3      ASP   6 -10.418   9.486  -8.448
   46    H    VAL   7           H        VAL   7  -8.452   9.564 -12.171
   47    HA   VAL   7           HA       VAL   7  -7.751  12.307 -11.209
   48    HB   VAL   7           HB       VAL   7  -6.268  12.475 -13.170
   49   HG11  VAL   7          HG11      VAL   7  -5.320  11.839 -10.975
   50   HG12  VAL   7          HG12      VAL   7  -5.567  10.127 -11.358
   51   HG13  VAL   7          HG13      VAL   7  -4.436  11.104 -12.311
   52   HG21  VAL   7          HG21      VAL   7  -6.577   9.459 -13.469
   53   HG22  VAL   7          HG22      VAL   7  -7.344  10.644 -14.554
   54   HG23  VAL   7          HG23      VAL   7  -5.580  10.575 -14.416
   55    H    ARG   8           H        ARG   8 -10.398  10.880 -12.373
   56    HA   ARG   8           HA       ARG   8 -11.041  12.681 -14.586
   57    HB2  ARG   8           HB2      ARG   8 -13.029  11.688 -14.708
   58    HB3  ARG   8           HB3      ARG   8 -12.110  10.399 -13.930
   59    HG2  ARG   8           HG2      ARG   8 -13.043  11.160 -11.709
   60    HG3  ARG   8           HG3      ARG   8 -14.052  12.275 -12.622
   61    HD2  ARG   8           HD2      ARG   8 -15.498  10.530 -12.652
   62    HD3  ARG   8           HD3      ARG   8 -14.581  10.042 -14.073
   63    HE   ARG   8           HE       ARG   8 -13.256   8.969 -11.844
   64   HH11  ARG   8          HH11      ARG   8 -16.628   8.689 -13.100
   65   HH12  ARG   8          HH12      ARG   8 -17.057   7.579 -11.834
   66   HH21  ARG   8          HH21      ARG   8 -13.903   7.558 -10.358
   67   HH22  ARG   8          HH22      ARG   8 -15.541   6.899 -10.341
   68    H    VAL   9           H        VAL   9 -12.759  14.321 -14.437
   69    HA   VAL   9           HA       VAL   9 -12.010  16.354 -12.679
   70    HB   VAL   9           HB       VAL   9 -14.108  17.505 -13.420
   71   HG11  VAL   9          HG11      VAL   9 -11.964  17.724 -14.618
   72   HG12  VAL   9          HG12      VAL   9 -12.366  16.314 -15.624
   73   HG13  VAL   9          HG13      VAL   9 -13.341  17.794 -15.724
   74   HG21  VAL   9          HG21      VAL   9 -15.442  16.552 -15.220
   75   HG22  VAL   9          HG22      VAL   9 -14.535  15.030 -15.151
   76   HG23  VAL   9          HG23      VAL   9 -15.553  15.534 -13.781
   77    HA   PRO  10           HA       PRO  10 -13.562  15.051  -8.925
   78    HB2  PRO  10           HB2      PRO  10 -14.412  17.306  -7.553
   79    HB3  PRO  10           HB3      PRO  10 -12.709  16.844  -7.830
   80    HG2  PRO  10           HG2      PRO  10 -14.375  18.857  -9.332
   81    HG3  PRO  10           HG3      PRO  10 -12.652  18.963  -8.854
   82    HD2  PRO  10           HD2      PRO  10 -13.502  18.288 -11.383
   83    HD3  PRO  10           HD3      PRO  10 -11.974  17.700 -10.695
   84    H    GLU  11           H        GLU  11 -15.863  17.183 -10.613
   85    HA   GLU  11           HA       GLU  11 -18.216  16.364  -9.320
   86    HB2  GLU  11           HB2      GLU  11 -19.390  17.157 -11.275
   87    HB3  GLU  11           HB3      GLU  11 -18.151  18.311 -10.686
   88    HG2  GLU  11           HG2      GLU  11 -16.617  17.525 -12.454
   89    HG3  GLU  11           HG3      GLU  11 -17.885  16.459 -13.064
   90    H    GLN  12           H        GLN  12 -16.298  14.581 -11.698
   91    HA   GLN  12           HA       GLN  12 -18.602  12.821 -12.354
   92    HB2  GLN  12           HB2      GLN  12 -15.786  13.119 -13.519
   93    HB3  GLN  12           HB3      GLN  12 -16.821  11.723 -13.843
   94    HG2  GLN  12           HG2      GLN  12 -18.568  13.138 -14.783
   95    HG3  GLN  12           HG3      GLN  12 -17.629  14.586 -14.435
   96   HE21  GLN  12          HE22      GLN  12 -18.160  14.691 -16.930
   97   HE22  GLN  12          HE21      GLN  12 -16.920  14.046 -17.975
   98    H    TYR  13           H        TYR  13 -15.439  12.953 -10.662
   99    HA   TYR  13           HA       TYR  13 -15.267  10.248  -9.905
  100    HB2  TYR  13           HB2      TYR  13 -13.340  11.304  -9.335
  101    HB3  TYR  13           HB3      TYR  13 -14.131  12.826  -8.997
  102    HD1  TYR  13           HD2      TYR  13 -13.447   9.431  -7.522
  103    HD2  TYR  13           HD1      TYR  13 -14.635  13.523  -6.790
  104    HE1  TYR  13           HE2      TYR  13 -13.153   9.095  -5.098
  105    HE2  TYR  13           HE1      TYR  13 -14.425  13.155  -4.354
  106    HH   TYR  13           HH       TYR  13 -13.352  10.013  -2.969
  107    H    GLN  14           H        GLN  14 -16.944  12.995  -8.321
  108    HA   GLN  14           HA       GLN  14 -17.709  11.696  -6.014
  109    HB2  GLN  14           HB2      GLN  14 -17.752  14.129  -6.454
  110    HB3  GLN  14           HB3      GLN  14 -19.101  13.921  -7.572
  111    HG2  GLN  14           HG2      GLN  14 -19.854  14.812  -5.449
  112    HG3  GLN  14           HG3      GLN  14 -20.562  13.229  -5.721
  113   HE21  GLN  14          HE22      GLN  14 -19.665  11.372  -4.483
  114   HE22  GLN  14          HE21      GLN  14 -18.863  11.668  -2.948
  115    H    GLN  15           H        GLN  15 -19.103  11.242  -9.220
  116    HA   GLN  15           HA       GLN  15 -21.748  10.545  -8.303
  117    HB2  GLN  15           HB2      GLN  15 -20.421   9.867 -10.963
  118    HB3  GLN  15           HB3      GLN  15 -22.145   9.862 -10.604
  119    HG2  GLN  15           HG2      GLN  15 -20.297  12.274 -10.775
  120    HG3  GLN  15           HG3      GLN  15 -21.598  11.879 -11.865
  121   HE21  GLN  15          HE21      GLN  15 -20.891  14.162  -9.829
  122   HE22  GLN  15          HE22      GLN  15 -22.424  14.452  -9.013
  123    H    GLU  16           H        GLU  16 -18.894   8.582  -9.368
  124    HA   GLU  16           HA       GLU  16 -19.536   6.424  -7.580
  125    HB2  GLU  16           HB2      GLU  16 -21.199   5.927  -9.363
  126    HB3  GLU  16           HB3      GLU  16 -19.934   6.021 -10.592
  127    HG2  GLU  16           HG2      GLU  16 -18.846   4.039  -9.726
  128    HG3  GLU  16           HG3      GLU  16 -19.869   4.042  -8.285
  129    H    HIS  17           H        HIS  17 -17.508   5.386  -7.168
  130    HA   HIS  17           HA       HIS  17 -15.460   5.426  -9.254
  131    HB2  HIS  17           HB2      HIS  17 -13.827   6.653  -8.149
  132    HB3  HIS  17           HB3      HIS  17 -15.260   7.627  -7.924
  133    HD1  HIS  17           HD1      HIS  17 -16.468   7.057  -5.300
  134    HD2  HIS  17           HD2      HIS  17 -12.390   6.351  -6.064
  135    HE1  HIS  17           HE1      HIS  17 -15.316   6.974  -3.028
  136    H    VAL  18           H        VAL  18 -13.457   4.199  -8.535
  137    HA   VAL  18           HA       VAL  18 -14.395   1.602  -7.707
  138    HB   VAL  18           HB       VAL  18 -11.563   2.607  -8.229
  139   HG11  VAL  18          HG11      VAL  18 -12.708  -0.213  -8.174
  140   HG12  VAL  18          HG12      VAL  18 -11.057   0.223  -8.679
  141   HG13  VAL  18          HG13      VAL  18 -11.559   0.478  -7.009
  142   HG21  VAL  18          HG21      VAL  18 -13.513   1.206 -10.125
  143   HG22  VAL  18          HG22      VAL  18 -13.015   2.906 -10.241
  144   HG23  VAL  18          HG23      VAL  18 -11.825   1.639 -10.482
  145    H    GLN  19           H        GLN  19 -14.125   0.592  -5.771
  146    HA   GLN  19           HA       GLN  19 -13.942   2.150  -3.397
  147    HB2  GLN  19           HB2      GLN  19 -15.182  -0.016  -3.763
  148    HB3  GLN  19           HB3      GLN  19 -13.632  -0.863  -3.793
  149    HG2  GLN  19           HG2      GLN  19 -13.208  -0.164  -1.448
  150    HG3  GLN  19           HG3      GLN  19 -14.723   0.748  -1.440
  151   HE21  GLN  19          HE22      GLN  19 -13.315  -2.552  -1.584
  152   HE22  GLN  19          HE21      GLN  19 -14.772  -3.380  -1.104
  153    H    GLY  20           H        GLY  20 -12.247   2.385  -1.876
  154    HA2  GLY  20           HA2      GLY  20 -10.167   2.235  -0.939
  155    HA3  GLY  20           HA3      GLY  20  -9.823   0.848  -1.983
  156    H    ALA  21           H        ALA  21 -10.526   4.334  -2.659
  157    HA   ALA  21           HA       ALA  21  -7.884   4.698  -3.935
  158    HB1  ALA  21           HB1      ALA  21 -10.564   5.176  -5.308
  159    HB2  ALA  21           HB2      ALA  21  -8.980   5.615  -5.971
  160    HB3  ALA  21           HB3      ALA  21  -9.395   3.907  -5.736
  161    H    ILE  22           H        ILE  22  -7.784   7.061  -4.707
  162    HA   ILE  22           HA       ILE  22  -9.271   8.964  -2.979
  163    HB   ILE  22           HB       ILE  22  -6.939   8.598  -2.141
  164   HG12  ILE  22          HG12      ILE  22  -7.347  11.406  -3.244
  165   HG13  ILE  22          HG13      ILE  22  -8.135  10.751  -1.799
  166   HG21  ILE  22          HG21      ILE  22  -5.992   9.893  -4.732
  167   HG22  ILE  22          HG22      ILE  22  -4.987   9.340  -3.382
  168   HG23  ILE  22          HG23      ILE  22  -5.839   8.160  -4.356
  169   HD11  ILE  22          HD11      ILE  22  -6.253  12.094  -1.123
  170   HD12  ILE  22          HD12      ILE  22  -5.839  10.396  -0.806
  171   HD13  ILE  22          HD13      ILE  22  -5.157  11.242  -2.220
  172    H    ASN  23           H        ASN  23  -9.131  11.247  -4.173
  173    HA   ASN  23           HA       ASN  23  -8.924  10.875  -7.108
  174    HB2  ASN  23           HB2      ASN  23 -11.232  10.905  -6.801
  175    HB3  ASN  23           HB3      ASN  23 -11.177  12.191  -5.590
  176   HD21  ASN  23          HD22      ASN  23  -9.992  11.819  -9.062
  177   HD22  ASN  23          HD21      ASN  23 -10.803  13.271  -9.600
  178    H    ILE  24           H        ILE  24  -7.625  12.262  -8.005
  179    HA   ILE  24           HA       ILE  24  -7.277  14.958  -6.896
  180    HB   ILE  24           HB       ILE  24  -4.860  13.306  -7.726
  181   HG12  ILE  24          HG12      ILE  24  -5.644  14.135  -4.894
  182   HG13  ILE  24          HG13      ILE  24  -5.705  12.487  -5.523
  183   HG21  ILE  24          HG21      ILE  24  -4.872  15.775  -8.166
  184   HG22  ILE  24          HG22      ILE  24  -5.132  16.065  -6.441
  185   HG23  ILE  24          HG23      ILE  24  -3.628  15.300  -7.009
  186   HD11  ILE  24          HD11      ILE  24  -3.189  14.129  -5.109
  187   HD12  ILE  24          HD12      ILE  24  -3.720  12.685  -4.234
  188   HD13  ILE  24          HD13      ILE  24  -3.250  12.553  -5.938
  189    HA   PRO  25           HA       PRO  25  -8.796  14.501 -11.208
  190    HB2  PRO  25           HB2      PRO  25  -8.892  17.499 -10.820
  191    HB3  PRO  25           HB3      PRO  25 -10.086  16.430 -11.613
  192    HG2  PRO  25           HG2      PRO  25 -10.487  17.318  -9.069
  193    HG3  PRO  25           HG3      PRO  25 -10.860  15.614  -9.502
  194    HD2  PRO  25           HD2      PRO  25  -8.455  16.731  -8.071
  195    HD3  PRO  25           HD3      PRO  25  -9.372  15.240  -7.741
  196    H    LEU  26           H        LEU  26  -7.828  14.982 -13.287
  197    HA   LEU  26           HA       LEU  26  -5.138  15.177 -13.553
  198    HB2  LEU  26           HB2      LEU  26  -6.566  14.576 -15.378
  199    HB3  LEU  26           HB3      LEU  26  -7.322  16.175 -15.405
  200    HG   LEU  26           HG       LEU  26  -5.122  17.165 -16.137
  201   HD11  LEU  26          HD11      LEU  26  -3.385  15.628 -17.011
  202   HD12  LEU  26          HD12      LEU  26  -3.594  15.418 -15.272
  203   HD13  LEU  26          HD13      LEU  26  -4.309  14.238 -16.390
  204   HD21  LEU  26          HD21      LEU  26  -6.206  14.964 -17.932
  205   HD22  LEU  26          HD22      LEU  26  -6.912  16.580 -17.737
  206   HD23  LEU  26          HD23      LEU  26  -5.301  16.409 -18.436
  207    H    LYS  27           H        LYS  27  -7.294  18.045 -13.663
  208    HA   LYS  27           HA       LYS  27  -5.360  20.053 -14.078
  209    HB2  LYS  27           HB2      LYS  27  -7.767  20.372 -14.315
  210    HB3  LYS  27           HB3      LYS  27  -8.027  20.025 -12.598
  211    HG2  LYS  27           HG2      LYS  27  -6.840  22.075 -11.970
  212    HG3  LYS  27           HG3      LYS  27  -6.497  22.432 -13.670
  213    HD2  LYS  27           HD2      LYS  27  -8.803  22.790 -14.167
  214    HD3  LYS  27           HD3      LYS  27  -9.354  22.070 -12.649
  215    HE2  LYS  27           HE2      LYS  27  -7.591  24.547 -12.708
  216    HE3  LYS  27           HE3      LYS  27  -9.349  24.657 -12.858
  217    HZ1  LYS  27           HZ1      LYS  27  -9.616  23.714 -10.718
  218    HZ2  LYS  27           HZ2      LYS  27  -8.043  23.314 -10.546
  219    HZ3  LYS  27           HZ3      LYS  27  -8.506  24.891 -10.554
  220    H    GLU  28           H        GLU  28  -6.143  18.265 -11.158
  221    HA   GLU  28           HA       GLU  28  -4.846  20.225  -9.370
  222    HB2  GLU  28           HB2      GLU  28  -6.629  17.804  -8.860
  223    HB3  GLU  28           HB3      GLU  28  -6.034  18.891  -7.629
  224    HG2  GLU  28           HG2      GLU  28  -7.957  19.635  -9.885
  225    HG3  GLU  28           HG3      GLU  28  -8.391  19.343  -8.216
  226    H    VAL  29           H        VAL  29  -4.077  17.246 -10.977
  227    HA   VAL  29           HA       VAL  29  -2.790  15.729  -9.053
  228    HB   VAL  29           HB       VAL  29  -2.162  16.160 -11.979
  229   HG11  VAL  29          HG11      VAL  29  -0.815  14.073 -11.926
  230   HG12  VAL  29          HG12      VAL  29  -0.048  15.359 -10.997
  231   HG13  VAL  29          HG13      VAL  29  -0.922  14.057 -10.154
  232   HG21  VAL  29          HG21      VAL  29  -4.297  15.020 -11.410
  233   HG22  VAL  29          HG22      VAL  29  -3.183  13.919 -12.214
  234   HG23  VAL  29          HG23      VAL  29  -3.421  13.827 -10.453
  235    H    LYS  30           H        LYS  30  -1.228  18.369 -10.948
  236    HA   LYS  30           HA       LYS  30   1.290  18.133  -9.673
  237    HB2  LYS  30           HB2      LYS  30  -0.049  20.522 -11.016
  238    HB3  LYS  30           HB3      LYS  30   1.644  20.489 -10.510
  239    HG2  LYS  30           HG2      LYS  30   2.126  18.622 -12.026
  240    HG3  LYS  30           HG3      LYS  30   0.426  18.503 -12.472
  241    HD2  LYS  30           HD2      LYS  30   1.654  19.636 -14.238
  242    HD3  LYS  30           HD3      LYS  30   0.466  20.705 -13.507
  243    HE2  LYS  30           HE2      LYS  30   2.456  21.976 -13.914
  244    HE3  LYS  30           HE3      LYS  30   2.261  21.807 -12.172
  245    HZ1  LYS  30           HZ1      LYS  30   4.543  21.438 -12.873
  246    HZ2  LYS  30           HZ2      LYS  30   3.964  20.060 -12.229
  247    HZ3  LYS  30           HZ3      LYS  30   4.117  20.215 -13.855
  248    H    GLU  31           H        GLU  31  -1.664  19.498  -8.390
  249    HA   GLU  31           HA       GLU  31  -0.283  21.340  -6.578
  250    HB2  GLU  31           HB2      GLU  31  -3.214  20.503  -6.662
  251    HB3  GLU  31           HB3      GLU  31  -2.534  21.855  -5.772
  252    HG2  GLU  31           HG2      GLU  31  -2.668  21.587  -8.807
  253    HG3  GLU  31           HG3      GLU  31  -3.676  22.609  -7.799
  254    H    ARG  32           H        ARG  32  -1.291  17.961  -6.531
  255    HA   ARG  32           HA       ARG  32  -0.910  17.923  -3.547
  256    HB2  ARG  32           HB2      ARG  32  -3.193  16.757  -5.172
  257    HB3  ARG  32           HB3      ARG  32  -2.841  16.256  -3.517
  258    HG2  ARG  32           HG2      ARG  32  -3.151  18.549  -2.701
  259    HG3  ARG  32           HG3      ARG  32  -3.457  19.117  -4.353
  260    HD2  ARG  32           HD2      ARG  32  -5.422  17.508  -4.456
  261    HD3  ARG  32           HD3      ARG  32  -5.148  17.162  -2.748
  262    HE   ARG  32           HE       ARG  32  -6.094  19.163  -2.169
  263   HH11  ARG  32          HH11      ARG  32  -5.344  19.309  -5.633
  264   HH12  ARG  32          HH12      ARG  32  -6.341  20.695  -5.951
  265   HH21  ARG  32          HH21      ARG  32  -7.341  21.079  -2.565
  266   HH22  ARG  32          HH22      ARG  32  -7.415  21.753  -4.151
  267    H    ILE  33           H        ILE  33  -0.444  16.046  -6.593
  268    HA   ILE  33           HA       ILE  33  -0.313  13.609  -5.240
  269    HB   ILE  33           HB       ILE  33  -0.551  13.864  -7.685
  270   HG12  ILE  33          HG12      ILE  33   0.794  11.857  -8.310
  271   HG13  ILE  33          HG13      ILE  33   1.651  11.953  -6.785
  272   HG21  ILE  33          HG21      ILE  33   1.307  14.160  -9.178
  273   HG22  ILE  33          HG22      ILE  33   1.355  15.502  -8.047
  274   HG23  ILE  33          HG23      ILE  33   2.476  14.143  -7.845
  275   HD11  ILE  33          HD11      ILE  33  -0.180  10.267  -6.822
  276   HD12  ILE  33          HD12      ILE  33  -0.428  11.479  -5.559
  277   HD13  ILE  33          HD13      ILE  33  -1.355  11.573  -7.079
  278    H    ALA  34           H        ALA  34   2.264  15.994  -5.688
  279    HA   ALA  34           HA       ALA  34   4.435  14.453  -4.754
  280    HB1  ALA  34           HB1      ALA  34   4.650  16.596  -5.970
  281    HB2  ALA  34           HB2      ALA  34   3.973  17.463  -4.567
  282    HB3  ALA  34           HB3      ALA  34   5.537  16.634  -4.439
  283    H    THR  35           H        THR  35   1.727  15.363  -2.911
  284    HA   THR  35           HA       THR  35   3.250  15.097  -0.359
  285    HB   THR  35           HB       THR  35   0.716  16.716  -0.806
  286    HG1  THR  35           HG1      THR  35   1.984  18.505  -0.980
  287   HG21  THR  35          HG21      THR  35   1.143  16.088   1.545
  288   HG22  THR  35          HG22      THR  35   2.795  16.732   1.437
  289   HG23  THR  35          HG23      THR  35   1.394  17.823   1.316
  290    H    ALA  36           H        ALA  36   0.271  14.318  -2.214
  291    HA   ALA  36           HA       ALA  36  -0.882  12.607  -0.217
  292    HB1  ALA  36           HB1      ALA  36  -2.150  13.590  -2.114
  293    HB2  ALA  36           HB2      ALA  36  -1.194  12.615  -3.255
  294    HB3  ALA  36           HB3      ALA  36  -2.269  11.817  -2.090
  295    H    VAL  37           H        VAL  37   1.442  12.088  -2.903
  296    HA   VAL  37           HA       VAL  37   2.208   9.469  -1.772
  297    HB   VAL  37           HB       VAL  37   1.652   9.909  -4.738
  298   HG11  VAL  37          HG11      VAL  37   3.471   8.288  -4.289
  299   HG12  VAL  37          HG12      VAL  37   2.431   7.418  -3.143
  300   HG13  VAL  37          HG13      VAL  37   2.029   7.459  -4.874
  301   HG21  VAL  37          HG21      VAL  37   0.038   8.335  -2.686
  302   HG22  VAL  37          HG22      VAL  37  -0.511   9.744  -3.624
  303   HG23  VAL  37          HG23      VAL  37  -0.162   8.226  -4.446
  304    HA   PRO  38           HA       PRO  38   5.497  12.611  -2.670
  305    HB2  PRO  38           HB2      PRO  38   7.017  12.313  -0.403
  306    HB3  PRO  38           HB3      PRO  38   5.524  13.297  -0.458
  307    HG2  PRO  38           HG2      PRO  38   5.834  10.442   0.508
  308    HG3  PRO  38           HG3      PRO  38   4.984  11.801   1.312
  309    HD2  PRO  38           HD2      PRO  38   3.662   9.942  -0.184
  310    HD3  PRO  38           HD3      PRO  38   3.159  11.656  -0.170
  311    H    ASP  39           H        ASP  39   5.670   9.182  -1.865
  312    HA   ASP  39           HA       ASP  39   8.447   8.782  -2.557
  313    HB2  ASP  39           HB2      ASP  39   7.296   7.234  -1.085
  314    HB3  ASP  39           HB3      ASP  39   6.113   6.850  -2.340
  315    H    LYS  40           H        LYS  40   9.060   9.400  -4.570
  316    HA   LYS  40           HA       LYS  40   7.426   9.279  -6.898
  317    HB2  LYS  40           HB2      LYS  40  10.465   9.360  -6.681
  318    HB3  LYS  40           HB3      LYS  40   9.536   9.704  -8.132
  319    HG2  LYS  40           HG2      LYS  40   9.531  11.347  -5.570
  320    HG3  LYS  40           HG3      LYS  40  10.289  11.762  -7.107
  321    HD2  LYS  40           HD2      LYS  40   8.011  11.816  -8.185
  322    HD3  LYS  40           HD3      LYS  40   7.299  11.453  -6.607
  323    HE2  LYS  40           HE2      LYS  40   7.080  13.794  -6.962
  324    HE3  LYS  40           HE3      LYS  40   8.244  13.526  -5.661
  325    HZ1  LYS  40           HZ1      LYS  40  10.024  13.960  -7.261
  326    HZ2  LYS  40           HZ2      LYS  40   8.942  14.168  -8.480
  327    HZ3  LYS  40           HZ3      LYS  40   8.992  15.220  -7.228
  328    H    ASN  41           H        ASN  41   8.902   6.654  -5.250
  329    HA   ASN  41           HA       ASN  41   8.922   5.024  -7.731
  330    HB2  ASN  41           HB2      ASN  41  11.041   5.161  -6.416
  331    HB3  ASN  41           HB3      ASN  41  10.196   4.446  -5.037
  332   HD21  ASN  41          HD22      ASN  41  10.379   3.699  -8.615
  333   HD22  ASN  41          HD21      ASN  41  10.847   2.032  -8.368
  334    H    ASP  42           H        ASP  42   6.608   5.920  -5.714
  335    HA   ASP  42           HA       ASP  42   5.457   3.359  -4.929
  336    HB2  ASP  42           HB2      ASP  42   4.731   5.509  -3.920
  337    HB3  ASP  42           HB3      ASP  42   4.134   6.034  -5.506
  338    H    THR  43           H        THR  43   3.848   2.197  -6.093
  339    HA   THR  43           HA       THR  43   3.967   2.474  -9.015
  340    HB   THR  43           HB       THR  43   2.278   0.479  -7.486
  341    HG1  THR  43           HG1      THR  43   4.199   0.144  -6.633
  342   HG21  THR  43          HG21      THR  43   1.965   0.684  -9.944
  343   HG22  THR  43          HG22      THR  43   3.696   0.366 -10.187
  344   HG23  THR  43          HG23      THR  43   2.644  -0.890  -9.490
  345    H    VAL  44           H        VAL  44   3.009   4.670  -8.961
  346    HA   VAL  44           HA       VAL  44   0.420   5.159  -7.934
  347    HB   VAL  44           HB       VAL  44   1.675   6.594 -10.314
  348   HG11  VAL  44          HG11      VAL  44  -0.702   7.168  -9.721
  349   HG12  VAL  44          HG12      VAL  44  -0.156   7.597  -8.087
  350   HG13  VAL  44          HG13      VAL  44   0.412   8.522  -9.491
  351   HG21  VAL  44          HG21      VAL  44   3.408   6.604  -8.621
  352   HG22  VAL  44          HG22      VAL  44   2.630   8.183  -8.615
  353   HG23  VAL  44          HG23      VAL  44   2.234   7.004  -7.346
  354    H    LYS  45           H        LYS  45  -1.412   4.088  -8.522
  355    HA   LYS  45           HA       LYS  45  -1.770   3.198 -11.333
  356    HB2  LYS  45           HB2      LYS  45  -3.572   2.747  -8.917
  357    HB3  LYS  45           HB3      LYS  45  -3.725   2.007 -10.501
  358    HG2  LYS  45           HG2      LYS  45  -1.504   1.515  -8.468
  359    HG3  LYS  45           HG3      LYS  45  -2.840   0.442  -8.878
  360    HD2  LYS  45           HD2      LYS  45  -1.940   0.281 -11.225
  361    HD3  LYS  45           HD3      LYS  45  -0.562   1.266 -10.706
  362    HE2  LYS  45           HE2      LYS  45   0.082  -1.061 -10.688
  363    HE3  LYS  45           HE3      LYS  45   0.071  -0.431  -9.034
  364    HZ1  LYS  45           HZ1      LYS  45  -2.144  -2.016 -10.196
  365    HZ2  LYS  45           HZ2      LYS  45  -0.943  -2.655  -9.299
  366    HZ3  LYS  45           HZ3      LYS  45  -1.954  -1.585  -8.602
  367    H    VAL  46           H        VAL  46  -3.208   4.304 -12.651
  368    HA   VAL  46           HA       VAL  46  -4.868   6.430 -11.391
  369    HB   VAL  46           HB       VAL  46  -4.393   7.861 -13.381
  370   HG11  VAL  46          HG11      VAL  46  -2.304   8.759 -12.529
  371   HG12  VAL  46          HG12      VAL  46  -3.318   8.238 -11.174
  372   HG13  VAL  46          HG13      VAL  46  -1.941   7.238 -11.690
  373   HG21  VAL  46          HG21      VAL  46  -3.434   6.157 -14.925
  374   HG22  VAL  46          HG22      VAL  46  -2.341   7.523 -14.684
  375   HG23  VAL  46          HG23      VAL  46  -2.035   5.981 -13.859
  376    H    TYR  47           H        TYR  47  -6.883   6.767 -12.277
  377    HA   TYR  47           HA       TYR  47  -7.614   5.490 -14.779
  378    HB2  TYR  47           HB2      TYR  47  -9.420   4.198 -14.000
  379    HB3  TYR  47           HB3      TYR  47  -8.016   3.682 -13.087
  380    HD1  TYR  47           HD1      TYR  47  -7.778   4.389 -10.659
  381    HD2  TYR  47           HD2      TYR  47 -11.359   5.146 -12.952
  382    HE1  TYR  47           HE1      TYR  47  -9.046   4.734  -8.559
  383    HE2  TYR  47           HE2      TYR  47 -12.623   5.513 -10.858
  384    HH   TYR  47           HH       TYR  47 -11.116   5.180  -7.623
  385    H    CYS  48           H        CYS  48  -9.950   6.162 -15.273
  386    HA   CYS  48           HA       CYS  48 -11.086   8.330 -13.791
  387    HB2  CYS  48           HB2      CYS  48 -10.952  10.030 -15.633
  388    HB3  CYS  48           HB3      CYS  48  -9.378   9.638 -14.951
  389    HG   CYS  48           HG       CYS  48  -8.681   7.942 -16.775
  390    H    ASN  49           H        ASN  49 -12.739   9.221 -16.064
  391    HA   ASN  49           HA       ASN  49 -14.644   7.089 -16.042
  392    HB2  ASN  49           HB2      ASN  49 -15.072   9.600 -16.355
  393    HB3  ASN  49           HB3      ASN  49 -14.547   9.412 -18.021
  394   HD21  ASN  49          HD22      ASN  49 -15.810   6.704 -18.414
  395   HD22  ASN  49          HD21      ASN  49 -17.532   7.020 -18.454
  396    H    ALA  50           H        ALA  50 -12.478   8.298 -18.636
  397    HA   ALA  50           HA       ALA  50 -12.751   5.737 -20.128
  398    HB1  ALA  50           HB1      ALA  50 -14.465   7.361 -20.903
  399    HB2  ALA  50           HB2      ALA  50 -13.181   8.542 -21.255
  400    HB3  ALA  50           HB3      ALA  50 -13.269   7.016 -22.161
  401    H    GLY  51           H        GLY  51 -10.469   6.660 -18.586
  402    HA2  GLY  51           HA2      GLY  51  -8.237   6.321 -18.794
  403    HA3  GLY  51           HA3      GLY  51  -8.491   5.959 -20.500
  404    H    ARG  52           H        ARG  52  -9.624   8.887 -20.824
  405    HA   ARG  52           HA       ARG  52  -7.139   9.949 -21.793
  406    HB2  ARG  52           HB2      ARG  52  -9.624  11.614 -21.253
  407    HB3  ARG  52           HB3      ARG  52  -8.318  11.926 -22.391
  408    HG2  ARG  52           HG2      ARG  52 -10.532   9.850 -22.611
  409    HG3  ARG  52           HG3      ARG  52 -10.209  11.232 -23.654
  410    HD2  ARG  52           HD2      ARG  52  -7.976  10.090 -24.233
  411    HD3  ARG  52           HD3      ARG  52  -8.615   8.641 -23.452
  412    HE   ARG  52           HE       ARG  52  -9.362   9.829 -26.010
  413   HH11  ARG  52          HH11      ARG  52 -10.508   7.521 -23.505
  414   HH12  ARG  52          HH12      ARG  52 -11.457   6.629 -24.630
  415   HH21  ARG  52          HH21      ARG  52 -10.684   8.646 -27.431
  416   HH22  ARG  52          HH22      ARG  52 -11.594   7.295 -26.877
  417    H    GLN  53           H        GLN  53  -8.964  11.043 -18.921
  418    HA   GLN  53           HA       GLN  53  -6.948  12.916 -18.198
  419    HB2  GLN  53           HB2      GLN  53  -9.020  11.494 -16.501
  420    HB3  GLN  53           HB3      GLN  53  -7.846  12.601 -15.829
  421    HG2  GLN  53           HG2      GLN  53 -10.013  13.720 -16.179
  422    HG3  GLN  53           HG3      GLN  53  -8.711  14.468 -17.078
  423   HE21  GLN  53          HE22      GLN  53 -11.159  11.803 -17.639
  424   HE22  GLN  53          HE21      GLN  53 -11.585  12.361 -19.232
  425    H    SER  54           H        SER  54  -7.076   9.371 -17.742
  426    HA   SER  54           HA       SER  54  -4.895   9.231 -15.879
  427    HB2  SER  54           HB2      SER  54  -5.837   7.079 -17.797
  428    HB3  SER  54           HB3      SER  54  -5.016   6.887 -16.244
  429    HG   SER  54           HG       SER  54  -6.888   8.000 -15.319
  430    H    GLY  55           H        GLY  55  -5.005   8.792 -19.482
  431    HA2  GLY  55           HA2      GLY  55  -2.186   8.306 -19.742
  432    HA3  GLY  55           HA3      GLY  55  -3.284   8.890 -21.013
  433    H    GLN  56           H        GLN  56  -4.202  11.252 -19.908
  434    HA   GLN  56           HA       GLN  56  -2.150  13.144 -20.382
  435    HB2  GLN  56           HB2      GLN  56  -4.942  13.203 -19.229
  436    HB3  GLN  56           HB3      GLN  56  -3.937  14.672 -19.274
  437    HG2  GLN  56           HG2      GLN  56  -3.696  14.446 -21.715
  438    HG3  GLN  56           HG3      GLN  56  -4.657  12.966 -21.694
  439   HE21  GLN  56          HE22      GLN  56  -4.779  16.487 -21.582
  440   HE22  GLN  56          HE21      GLN  56  -6.518  16.623 -21.569
  441    H    ALA  57           H        ALA  57  -3.348  11.703 -17.285
  442    HA   ALA  57           HA       ALA  57  -1.719  13.401 -15.640
  443    HB1  ALA  57           HB1      ALA  57  -2.981  10.702 -15.026
  444    HB2  ALA  57           HB2      ALA  57  -2.249  11.805 -13.844
  445    HB3  ALA  57           HB3      ALA  57  -3.698  12.309 -14.733
  446    H    LYS  58           H        LYS  58  -1.200  10.150 -17.127
  447    HA   LYS  58           HA       LYS  58   1.158   9.544 -15.716
  448    HB2  LYS  58           HB2      LYS  58  -0.017   7.877 -16.993
  449    HB3  LYS  58           HB3      LYS  58   0.306   8.712 -18.521
  450    HG2  LYS  58           HG2      LYS  58   2.608   8.185 -18.485
  451    HG3  LYS  58           HG3      LYS  58   2.606   7.838 -16.754
  452    HD2  LYS  58           HD2      LYS  58   1.278   5.795 -17.129
  453    HD3  LYS  58           HD3      LYS  58   1.236   6.127 -18.876
  454    HE2  LYS  58           HE2      LYS  58   3.647   5.915 -19.051
  455    HE3  LYS  58           HE3      LYS  58   3.831   5.851 -17.295
  456    HZ1  LYS  58           HZ1      LYS  58   2.438   3.771 -18.878
  457    HZ2  LYS  58           HZ2      LYS  58   3.976   3.662 -18.351
  458    HZ3  LYS  58           HZ3      LYS  58   2.764   3.722 -17.260
  459    H    GLU  59           H        GLU  59   0.828  11.560 -18.704
  460    HA   GLU  59           HA       GLU  59   3.666  11.733 -19.003
  461    HB2  GLU  59           HB2      GLU  59   3.265  13.628 -20.508
  462    HB3  GLU  59           HB3      GLU  59   2.364  12.169 -20.907
  463    HG2  GLU  59           HG2      GLU  59   0.312  13.113 -20.028
  464    HG3  GLU  59           HG3      GLU  59   1.161  14.562 -19.465
  465    H    ILE  60           H        ILE  60   1.390  13.996 -17.183
  466    HA   ILE  60           HA       ILE  60   3.595  15.700 -16.508
  467    HB   ILE  60           HB       ILE  60   2.059  16.694 -14.898
  468   HG12  ILE  60          HG12      ILE  60   0.115  14.535 -15.740
  469   HG13  ILE  60          HG13      ILE  60   0.842  14.693 -14.126
  470   HG21  ILE  60          HG21      ILE  60   0.563  17.655 -16.535
  471   HG22  ILE  60          HG22      ILE  60   2.082  17.286 -17.349
  472   HG23  ILE  60          HG23      ILE  60   0.677  16.220 -17.574
  473   HD11  ILE  60          HD11      ILE  60  -0.351  16.845 -13.850
  474   HD12  ILE  60          HD12      ILE  60  -1.143  16.569 -15.433
  475   HD13  ILE  60          HD13      ILE  60  -1.423  15.450 -14.091
  476    H    LEU  61           H        LEU  61   2.230  12.761 -14.981
  477    HA   LEU  61           HA       LEU  61   3.743  13.017 -12.549
  478    HB2  LEU  61           HB2      LEU  61   2.566  10.651 -14.041
  479    HB3  LEU  61           HB3      LEU  61   3.385  10.475 -12.486
  480    HG   LEU  61           HG       LEU  61   0.972  12.295 -12.872
  481   HD11  LEU  61          HD11      LEU  61  -0.357  10.496 -11.817
  482   HD12  LEU  61          HD12      LEU  61   0.304   9.990 -13.374
  483   HD13  LEU  61          HD13      LEU  61   1.056   9.417 -11.867
  484   HD21  LEU  61          HD21      LEU  61   0.784  12.166 -10.467
  485   HD22  LEU  61          HD22      LEU  61   2.234  11.136 -10.359
  486   HD23  LEU  61          HD23      LEU  61   2.359  12.824 -10.902
  487    H    SER  62           H        SER  62   4.476  11.583 -15.746
  488    HA   SER  62           HA       SER  62   7.040  10.534 -15.013
  489    HB2  SER  62           HB2      SER  62   6.077  11.522 -17.732
  490    HB3  SER  62           HB3      SER  62   7.453  10.454 -17.417
  491    HG   SER  62           HG       SER  62   4.690   9.942 -16.945
  492    H    GLU  63           H        GLU  63   5.980  13.763 -16.259
  493    HA   GLU  63           HA       GLU  63   8.588  14.890 -16.376
  494    HB2  GLU  63           HB2      GLU  63   6.459  15.776 -17.428
  495    HB3  GLU  63           HB3      GLU  63   5.948  16.311 -15.831
  496    HG2  GLU  63           HG2      GLU  63   6.855  18.194 -16.975
  497    HG3  GLU  63           HG3      GLU  63   7.980  17.772 -15.696
  498    H    MET  64           H        MET  64   6.199  14.686 -13.708
  499    HA   MET  64           HA       MET  64   7.816  16.084 -11.766
  500    HB2  MET  64           HB2      MET  64   5.430  14.212 -11.509
  501    HB3  MET  64           HB3      MET  64   6.206  14.999 -10.133
  502    HG2  MET  64           HG2      MET  64   5.756  17.218 -11.105
  503    HG3  MET  64           HG3      MET  64   4.991  16.468 -12.497
  504    HE1  MET  64           HE1      MET  64   4.731  17.618  -8.867
  505    HE2  MET  64           HE2      MET  64   3.242  16.880  -8.248
  506    HE3  MET  64           HE3      MET  64   4.686  15.876  -8.503
  507    H    GLY  65           H        GLY  65   8.412  13.104 -13.240
  508    HA2  GLY  65           HA2      GLY  65  10.306  11.887 -12.899
  509    HA3  GLY  65           HA3      GLY  65  10.562  12.680 -11.341
  510    H    TYR  66           H        TYR  66   7.396  11.177 -11.778
  511    HA   TYR  66           HA       TYR  66   7.968   9.139  -9.784
  512    HB2  TYR  66           HB2      TYR  66   5.626   9.562 -11.672
  513    HB3  TYR  66           HB3      TYR  66   5.763   8.173 -10.600
  514    HD1  TYR  66           HD2      TYR  66   5.438  11.898 -10.650
  515    HD2  TYR  66           HD1      TYR  66   5.405   8.338  -8.217
  516    HE1  TYR  66           HE2      TYR  66   4.665  13.234  -8.724
  517    HE2  TYR  66           HE1      TYR  66   4.630   9.666  -6.281
  518    HH   TYR  66           HH       TYR  66   4.115  11.785  -5.485
  519    H    THR  67           H        THR  67   8.821   7.095 -10.142
  520    HA   THR  67           HA       THR  67  10.320   6.824 -12.540
  521    HB   THR  67           HB       THR  67  10.963   4.604 -11.553
  522    HG1  THR  67           HG1      THR  67   9.036   4.102 -10.475
  523   HG21  THR  67          HG21      THR  67  10.989   6.899  -9.535
  524   HG22  THR  67          HG22      THR  67  12.079   5.497  -9.575
  525   HG23  THR  67          HG23      THR  67  12.138   6.697 -10.877
  526    H    HIS  68           H        HIS  68   7.159   5.587 -11.625
  527    HA   HIS  68           HA       HIS  68   6.619   4.696 -14.320
  528    HB2  HIS  68           HB2      HIS  68   5.791   2.414 -13.418
  529    HB3  HIS  68           HB3      HIS  68   7.496   2.624 -13.755
  530    HD1  HIS  68           HD1      HIS  68   8.613   1.033 -12.063
  531    HD2  HIS  68           HD2      HIS  68   5.681   3.537 -10.366
  532    HE1  HIS  68           HE1      HIS  68   8.680   0.630  -9.551
  533    H    VAL  69           H        VAL  69   4.344   4.225 -14.571
  534    HA   VAL  69           HA       VAL  69   2.458   4.818 -12.435
  535    HB   VAL  69           HB       VAL  69   2.552   6.421 -15.034
  536   HG11  VAL  69          HG11      VAL  69   0.646   7.708 -14.119
  537   HG12  VAL  69          HG12      VAL  69   0.242   6.013 -14.335
  538   HG13  VAL  69          HG13      VAL  69   0.599   6.634 -12.705
  539   HG21  VAL  69          HG21      VAL  69   4.224   7.385 -13.553
  540   HG22  VAL  69          HG22      VAL  69   2.835   8.445 -13.671
  541   HG23  VAL  69          HG23      VAL  69   3.050   7.446 -12.216
  542    H    GLU  70           H        GLU  70   0.442   3.731 -13.049
  543    HA   GLU  70           HA       GLU  70   0.461   2.328 -15.688
  544    HB2  GLU  70           HB2      GLU  70   1.263   0.762 -13.985
  545    HB3  GLU  70           HB3      GLU  70  -0.138   1.108 -12.967
  546    HG2  GLU  70           HG2      GLU  70  -1.651   0.173 -14.672
  547    HG3  GLU  70           HG3      GLU  70  -0.293  -0.071 -15.774
  548    H    ASN  71           H        ASN  71  -1.388   2.749 -16.774
  549    HA   ASN  71           HA       ASN  71  -3.659   3.947 -15.363
  550    HB2  ASN  71           HB2      ASN  71  -3.322   4.820 -17.568
  551    HB3  ASN  71           HB3      ASN  71  -3.244   3.194 -18.270
  552   HD21  ASN  71          HD22      ASN  71  -5.642   4.601 -15.858
  553   HD22  ASN  71          HD21      ASN  71  -7.016   4.284 -16.886
  554    H    ALA  72           H        ALA  72  -4.908   2.613 -14.168
  555    HA   ALA  72           HA       ALA  72  -4.875  -0.243 -14.418
  556    HB1  ALA  72           HB1      ALA  72  -6.851   1.608 -13.010
  557    HB2  ALA  72           HB2      ALA  72  -6.730  -0.147 -12.787
  558    HB3  ALA  72           HB3      ALA  72  -5.381   0.898 -12.300
  559    H    GLY  73           H        GLY  73  -6.949   2.279 -15.833
  560    HA2  GLY  73           HA2      GLY  73  -7.928   1.188 -18.050
  561    HA3  GLY  73           HA3      GLY  73  -8.927   0.358 -16.840
  562    H    GLY  74           H        GLY  74 -10.840   1.420 -17.453
  563    HA2  GLY  74           HA2      GLY  74 -11.060   4.206 -16.440
  564    HA3  GLY  74           HA3      GLY  74 -11.956   3.680 -17.874
  565    H    LEU  75           H        LEU  75 -13.211   4.597 -15.557
  566    HA   LEU  75           HA       LEU  75 -13.874   2.901 -13.530
  567    HB2  LEU  75           HB2      LEU  75 -14.497   5.284 -13.781
  568    HB3  LEU  75           HB3      LEU  75 -15.714   4.880 -14.973
  569    HG   LEU  75           HG       LEU  75 -16.527   5.438 -12.679
  570   HD11  LEU  75          HD11      LEU  75 -17.435   2.641 -13.386
  571   HD12  LEU  75          HD12      LEU  75 -18.310   3.920 -12.547
  572   HD13  LEU  75          HD13      LEU  75 -17.927   4.109 -14.263
  573   HD21  LEU  75          HD21      LEU  75 -15.462   2.733 -11.804
  574   HD22  LEU  75          HD22      LEU  75 -14.746   4.305 -11.387
  575   HD23  LEU  75          HD23      LEU  75 -16.386   3.902 -10.841
  576    H    LYS  76           H        LYS  76 -15.458   2.966 -16.729
  577    HA   LYS  76           HA       LYS  76 -17.460   1.005 -16.028
  578    HB2  LYS  76           HB2      LYS  76 -16.566   2.114 -18.729
  579    HB3  LYS  76           HB3      LYS  76 -17.991   1.103 -18.465
  580    HG2  LYS  76           HG2      LYS  76 -18.951   2.824 -16.945
  581    HG3  LYS  76           HG3      LYS  76 -17.539   3.846 -17.206
  582    HD2  LYS  76           HD2      LYS  76 -19.333   4.656 -18.601
  583    HD3  LYS  76           HD3      LYS  76 -18.043   4.010 -19.606
  584    HE2  LYS  76           HE2      LYS  76 -20.144   3.349 -20.560
  585    HE3  LYS  76           HE3      LYS  76 -19.348   1.907 -19.936
  586    HZ1  LYS  76           HZ1      LYS  76 -21.699   1.970 -19.372
  587    HZ2  LYS  76           HZ2      LYS  76 -20.827   2.024 -18.000
  588    HZ3  LYS  76           HZ3      LYS  76 -21.539   3.380 -18.578
  589    H    ASP  77           H        ASP  77 -14.169   0.516 -16.599
  590    HA   ASP  77           HA       ASP  77 -14.607  -2.142 -17.914
  591    HB2  ASP  77           HB2      ASP  77 -13.584  -0.524 -19.421
  592    HB3  ASP  77           HB3      ASP  77 -12.349  -0.139 -18.220
  593    H    ILE  78           H        ILE  78 -12.854  -0.341 -15.379
  594    HA   ILE  78           HA       ILE  78 -11.172  -2.460 -14.477
  595    HB   ILE  78           HB       ILE  78 -12.394   0.002 -13.175
  596   HG12  ILE  78          HG12      ILE  78  -9.480  -0.626 -13.840
  597   HG13  ILE  78          HG13      ILE  78 -10.565   0.104 -15.015
  598   HG21  ILE  78          HG21      ILE  78 -12.064  -1.539 -11.332
  599   HG22  ILE  78          HG22      ILE  78 -10.424  -1.961 -11.907
  600   HG23  ILE  78          HG23      ILE  78 -10.782  -0.346 -11.276
  601   HD11  ILE  78          HD11      ILE  78  -9.269   1.821 -13.969
  602   HD12  ILE  78          HD12      ILE  78 -10.971   2.020 -13.506
  603   HD13  ILE  78          HD13      ILE  78  -9.798   1.347 -12.350
  604    H    ALA  79           H        ALA  79 -11.635  -4.299 -13.362
  605    HA   ALA  79           HA       ALA  79 -14.411  -5.064 -13.113
  606    HB1  ALA  79           HB1      ALA  79 -12.654  -6.585 -13.965
  607    HB2  ALA  79           HB2      ALA  79 -11.853  -6.557 -12.374
  608    HB3  ALA  79           HB3      ALA  79 -13.471  -7.266 -12.548
  609    H    MET  80           H        MET  80 -12.184  -3.657 -10.869
  610    HA   MET  80           HA       MET  80 -12.991  -4.900  -8.438
  611    HB2  MET  80           HB2      MET  80 -11.751  -2.210  -9.121
  612    HB3  MET  80           HB3      MET  80 -12.105  -2.662  -7.456
  613    HG2  MET  80           HG2      MET  80 -10.662  -4.609  -7.596
  614    HG3  MET  80           HG3      MET  80 -10.411  -4.357  -9.321
  615    HE1  MET  80           HE1      MET  80  -9.600  -3.047  -5.686
  616    HE2  MET  80           HE2      MET  80  -8.569  -1.639  -6.025
  617    HE3  MET  80           HE3      MET  80 -10.303  -1.572  -6.393
  618    HA   PRO  81           HA       PRO  81 -16.957  -3.118  -7.647
  619    HB2  PRO  81           HB2      PRO  81 -17.032  -2.819  -4.912
  620    HB3  PRO  81           HB3      PRO  81 -17.060  -4.408  -5.734
  621    HG2  PRO  81           HG2      PRO  81 -14.666  -2.962  -4.559
  622    HG3  PRO  81           HG3      PRO  81 -15.159  -4.668  -4.309
  623    HD2  PRO  81           HD2      PRO  81 -13.269  -3.996  -6.126
  624    HD3  PRO  81           HD3      PRO  81 -14.457  -5.281  -6.484
  625    H    LYS  82           H        LYS  82 -18.112  -1.202  -6.688
  626    HA   LYS  82           HA       LYS  82 -16.395   1.228  -6.645
  627    HB2  LYS  82           HB2      LYS  82 -19.004   0.859  -8.199
  628    HB3  LYS  82           HB3      LYS  82 -18.186   2.384  -7.920
  629    HG2  LYS  82           HG2      LYS  82 -17.498   1.941 -10.036
  630    HG3  LYS  82           HG3      LYS  82 -16.134   1.321  -9.105
  631    HD2  LYS  82           HD2      LYS  82 -17.123  -0.991  -9.353
  632    HD3  LYS  82           HD3      LYS  82 -18.409  -0.300 -10.351
  633    HE2  LYS  82           HE2      LYS  82 -16.819   0.380 -12.055
  634    HE3  LYS  82           HE3      LYS  82 -15.450   0.046 -10.982
  635    HZ1  LYS  82           HZ1      LYS  82 -16.001  -2.273 -11.030
  636    HZ2  LYS  82           HZ2      LYS  82 -17.268  -2.021 -12.066
  637    HZ3  LYS  82           HZ3      LYS  82 -15.715  -1.741 -12.539
  638    H    VAL  83           H        VAL  83 -17.491   3.093  -5.747
  639    HA   VAL  83           HA       VAL  83 -19.786   2.614  -3.960
  640    HB   VAL  83           HB       VAL  83 -18.621   3.870  -2.150
  641   HG11  VAL  83          HG11      VAL  83 -17.164   1.294  -2.871
  642   HG12  VAL  83          HG12      VAL  83 -17.327   2.023  -1.263
  643   HG13  VAL  83          HG13      VAL  83 -18.758   1.391  -2.091
  644   HG21  VAL  83          HG21      VAL  83 -16.177   4.065  -2.108
  645   HG22  VAL  83          HG22      VAL  83 -16.060   3.412  -3.755
  646   HG23  VAL  83          HG23      VAL  83 -16.849   4.974  -3.467
  647    H    LYS  84           H        LYS  84 -20.618   4.856  -3.211
  648    HA   LYS  84           HA       LYS  84 -20.288   6.866  -5.390
  649    HB2  LYS  84           HB2      LYS  84 -22.934   5.747  -4.357
  650    HB3  LYS  84           HB3      LYS  84 -22.734   7.047  -5.534
  651    HG2  LYS  84           HG2      LYS  84 -21.505   5.377  -7.015
  652    HG3  LYS  84           HG3      LYS  84 -22.036   4.106  -5.918
  653    HD2  LYS  84           HD2      LYS  84 -23.814   6.014  -7.498
  654    HD3  LYS  84           HD3      LYS  84 -23.511   4.333  -7.907
  655    HE2  LYS  84           HE2      LYS  84 -24.909   5.293  -5.364
  656    HE3  LYS  84           HE3      LYS  84 -25.727   4.747  -6.825
  657    HZ1  LYS  84           HZ1      LYS  84 -25.594   2.975  -5.227
  658    HZ2  LYS  84           HZ2      LYS  84 -24.705   2.569  -6.527
  659    HZ3  LYS  84           HZ3      LYS  84 -23.970   3.053  -5.145
  660    H    GLY  85           H        GLY  85 -21.283   8.951  -4.824
  661    HA2  GLY  85           HA2      GLY  85 -20.742   9.949  -2.216
  662    HA3  GLY  85           HA3      GLY  85 -21.768  10.713  -3.447