*HEADER    TRANSFERASE                             30-AUG-10   2L31              
*TITLE     HUMAN PARP-1 ZINC FINGER 2                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 1;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FINGER_2 (UNP RESIDUES 103-214);                           
*COMPND   5 SYNONYM: PARP-1, NAD(+) ADP-RIBOSYLTRANSFERASE 1, ADPRT 1, POLY[ADP- 
*COMPND   6 RIBOSE] SYNTHASE 1;                                                  
*COMPND   7 EC: 2.4.2.30;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: PARP1, ADPRT, PPOL;                                            
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
*KEYWDS    ZINC FINGER, TRANSFERASE, DNA REPAIR PROTEIN                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    30                                                                    
*AUTHOR    D.NEUHAUS, S.EUSTERMANN, J.YANG, H.VIDELER                            
*REVDAT   1   02-FEB-11 2L31    0                                                


#  3  LYS QB  4  ALA H
 &rst iat= -1,44, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 26,27,
&end
#
#  4  ALA H  4  ALA QB
 &rst iat= 44, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 48,49,50,
&end
#
#  4  ALA HA  5  GLU H
 &rst iat= 46,54, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  4  ALA HA  5  GLU QB
 &rst iat= 46, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 58,59,
&end
#
#  4  ALA HA  5  GLU QG
 &rst iat= 46, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 61,62,
&end
#
#  4  ALA QB  5  GLU H
 &rst iat= -1,54, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 48,49,50,
&end
#
#  5  GLU H  5  GLU QB
 &rst iat= 54, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 58,59,
&end
#
#  7  THR H  7  THR HB
 &rst iat= 91,95, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR H  7  THR QG2
 &rst iat= 91, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 97,98,99,
&end
#
#  7  THR HA  7  THR QG2
 &rst iat= 93, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 97,98,99,
&end
#
#  7  THR H  8  LEU H
 &rst iat= 91,105, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR HA  8  LEU H
 &rst iat= 93,105, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR HA  8  LEU QB
 &rst iat= 93, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 109,110,
&end
#
#  7  THR HA  8  LEU QD
 &rst iat= 93, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 114,115,116,118,119,120,
&end
#
#  7  THR HB  8  LEU H
 &rst iat= 95,105, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR HB  8  LEU HA
 &rst iat= 95,107, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR QG2  8  LEU H
 &rst iat= -1,105, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR QG2  8  LEU HA
 &rst iat= -1,107, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR QG2  8  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
igr2= 114,115,116,118,119,120,
&end
#
#  7  THR HB  9  GLY H
 &rst iat= 95,124, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR QG2  9  GLY H
 &rst iat= -1,124, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR QG2  10  ASP H
 &rst iat= -1,131, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR QG2  11  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
igr2= 151,159,
&end
#
#  7  THR QG2  12  ALA H
 &rst iat= -1,163, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR QG2  12  ALA HA
 &rst iat= -1,165, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR QG2  13  ALA H
 &rst iat= -1,173, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR H  78  GLN HA
 &rst iat= 91,1220, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR H  78  GLN QB
 &rst iat= 91, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1222,1223,
&end
#
#  7  THR HA  78  GLN H
 &rst iat= 93,1218, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR HA  78  GLN HA
 &rst iat= 93,1220, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR HA  78  GLN QB
 &rst iat= 93, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1222,1223,
&end
#
#  7  THR QG2  78  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
igr2= 1222,1223,
&end
#
#  7  THR HA  79  LEU H
 &rst iat= 93,1235, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR QG2  79  LEU HA
 &rst iat= -1,1237, r1= 0, r2= 0, r3= 3.48, r4= 4.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR QG2  79  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
igr2= 1239,1240,
&end
#
#  7  THR QG2  79  LEU HG
 &rst iat= -1,1242, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR H  80  LYS HA
 &rst iat= 91,1256, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR H  80  LYS QG
 &rst iat= 91, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1261,1262,
&end
#
#  7  THR HA  80  LYS H
 &rst iat= 93,1254, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR HB  80  LYS HA
 &rst iat= 95,1256, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  7  THR QG2  80  LYS H
 &rst iat= -1,1254, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR QG2  80  LYS HA
 &rst iat= -1,1256, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  7  THR QG2  80  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
igr2= 1258,1259,
&end
#
#  7  THR QG2  80  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
igr2= 1261,1262,
&end
#
#  7  THR QG2  80  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
igr2= 1267,1268,
&end
#
#  7  THR QG2  81  GLY H
 &rst iat= -1,1276, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 97,98,99,
&end
#
#  8  LEU H  8  LEU HG
 &rst iat= 105,112, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU H  8  LEU QD
 &rst iat= 105, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 114,115,116,118,119,120,
&end
#
#  8  LEU HA  8  LEU QD
 &rst iat= 107, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 114,115,116,118,119,120,
&end
#
#  8  LEU QB  8  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
igr2= 114,115,116,118,119,120,
&end
#
#  8  LEU H  9  GLY H
 &rst iat= 105,124, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU HA  9  GLY H
 &rst iat= 107,124, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU HA  9  GLY QA
 &rst iat= 107, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 126,127,
&end
#
#  8  LEU QB  9  GLY H
 &rst iat= -1,124, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
&end
#
#  8  LEU HG  9  GLY H
 &rst iat= 112,124, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU QD  9  GLY H
 &rst iat= -1,124, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
&end
#
#  8  LEU H  10  ASP H
 &rst iat= 105,131, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU QB  10  ASP H
 &rst iat= -1,131, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
&end
#
#  8  LEU QD  10  ASP H
 &rst iat= -1,131, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
&end
#
#  8  LEU QD  10  ASP HA
 &rst iat= -1,133, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
&end
#
#  8  LEU H  11  PHE H
 &rst iat= 105,143, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU QB  11  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
igr2= 153,157,
&end
#
#  8  LEU HG  11  PHE H
 &rst iat= 112,143, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU QD  11  PHE H
 &rst iat= -1,143, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
&end
#
#  8  LEU QD  11  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 147,148,
&end
#
#  8  LEU QD  11  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 151,159,
&end
#
#  8  LEU QD  11  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 153,157,
&end
#
#  8  LEU QD  11  PHE HZ
 &rst iat= -1,155, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
&end
#
#  8  LEU QD  70  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 1100,1108,
&end
#
#  8  LEU QD  70  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 1102,1106,
&end
#
#  8  LEU QB  74  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
igr2= 1173,1182,
&end
#
#  8  LEU QB  74  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 109,110,
igr2= 1175,1180,
&end
#
#  8  LEU QD  74  TYR H
 &rst iat= -1,1165, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
&end
#
#  8  LEU QD  74  TYR QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 1169,1170,
&end
#
#  8  LEU QD  74  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 1173,1182,
&end
#
#  8  LEU QD  74  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 1175,1180,
&end
#
#  8  LEU H  78  GLN H
 &rst iat= 105,1218, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU H  78  GLN HA
 &rst iat= 105,1220, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU H  78  GLN QB
 &rst iat= 105, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1222,1223,
&end
#
#  8  LEU QD  78  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 1222,1223,
&end
#
#  8  LEU H  79  LEU H
 &rst iat= 105,1235, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU H  79  LEU HA
 &rst iat= 105,1237, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU QD  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.10775, r4= 8.019,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  8  LEU H  80  LYS H
 &rst iat= 105,1254, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  8  LEU QD  80  LYS H
 &rst iat= -1,1254, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 114,115,116,118,119,120,
&end
#
#  9  GLY H  10  ASP H
 &rst iat= 124,131, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  GLY H  10  ASP HA
 &rst iat= 124,133, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  GLY H  10  ASP QB
 &rst iat= 124, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 135,136,
&end
#
#  9  GLY H  11  PHE H
 &rst iat= 124,143, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  9  GLY H  11  PHE QD
 &rst iat= 124, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 151,159,
&end
#
#  9  GLY QA  11  PHE H
 &rst iat= -1,143, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 126,127,
&end
#
#  10  ASP H  10  ASP QB
 &rst iat= 131, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 135,136,
&end
#
#  10  ASP H  11  PHE H
 &rst iat= 131,143, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ASP H  11  PHE HA
 &rst iat= 131,145, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ASP H  11  PHE QB
 &rst iat= 131, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 147,148,
&end
#
#  10  ASP H  11  PHE QD
 &rst iat= 131, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 151,159,
&end
#
#  10  ASP H  11  PHE QE
 &rst iat= 131, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 153,157,
&end
#
#  10  ASP QB  11  PHE H
 &rst iat= -1,143, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 135,136,
&end
#
#  10  ASP QB  11  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 135,136,
igr2= 147,148,
&end
#
#  10  ASP QB  11  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 135,136,
igr2= 151,159,
&end
#
#  10  ASP QB  39  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 135,136,
igr2= 585,586,
&end
#
#  10  ASP QB  39  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 135,136,
igr2= 588,589,
&end
#
#  10  ASP H  40  LYS H
 &rst iat= 131,600, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ASP H  40  LYS QB
 &rst iat= 131, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 604,605,
&end
#
#  10  ASP H  40  LYS QE
 &rst iat= 131, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 613,614,
&end
#
#  10  ASP HA  40  LYS H
 &rst iat= 133,600, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  10  ASP HA  40  LYS QB
 &rst iat= 133, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 604,605,
&end
#
#  10  ASP HA  40  LYS QE
 &rst iat= 133, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 613,614,
&end
#
#  10  ASP QB  40  LYS H
 &rst iat= -1,600, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 135,136,
&end
#
#  10  ASP QB  40  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 135,136,
igr2= 604,605,
&end
#
#  10  ASP QB  40  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 135,136,
igr2= 613,614,
&end
#
#  10  ASP H  79  LEU QD
 &rst iat= 131, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  11  PHE H  11  PHE QD
 &rst iat= 143, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 151,159,
&end
#
#  11  PHE H  11  PHE QE
 &rst iat= 143, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 153,157,
&end
#
#  11  PHE HA  11  PHE QD
 &rst iat= 145, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 151,159,
&end
#
#  11  PHE H  12  ALA H
 &rst iat= 143,163, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE H  12  ALA HA
 &rst iat= 143,165, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE H  12  ALA QB
 &rst iat= 143, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 167,168,169,
&end
#
#  11  PHE HA  12  ALA H
 &rst iat= 145,163, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE HA  12  ALA HA
 &rst iat= 145,165, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE HA  12  ALA QB
 &rst iat= 145, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 167,168,169,
&end
#
#  11  PHE QB  12  ALA H
 &rst iat= -1,163, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 147,148,
&end
#
#  11  PHE QB  12  ALA HA
 &rst iat= -1,165, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 147,148,
&end
#
#  11  PHE QD  12  ALA H
 &rst iat= -1,163, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,159,
&end
#
#  11  PHE QD  13  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,159,
igr2= 177,178,179,
&end
#
#  11  PHE HA  38  SER H
 &rst iat= 145,567, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE QB  38  SER H
 &rst iat= -1,567, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 147,148,
&end
#
#  11  PHE HA  39  LYS H
 &rst iat= 145,578, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE HA  39  LYS HA
 &rst iat= 145,580, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE QB  39  LYS H
 &rst iat= -1,578, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 147,148,
&end
#
#  11  PHE QB  39  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 147,148,
igr2= 588,589,
&end
#
#  11  PHE QD  39  LYS HA
 &rst iat= -1,580, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,159,
&end
#
#  11  PHE H  40  LYS H
 &rst iat= 143,600, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE HA  40  LYS H
 &rst iat= 145,600, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE QB  40  LYS H
 &rst iat= -1,600, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 147,148,
&end
#
#  11  PHE QB  70  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 147,148,
igr2= 1100,1108,
&end
#
#  11  PHE QD  70  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,159,
igr2= 1102,1106,
&end
#
#  11  PHE QE  70  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 153,157,
igr2= 1100,1108,
&end
#
#  11  PHE QE  70  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 153,157,
igr2= 1102,1106,
&end
#
#  11  PHE HZ  70  PHE QD
 &rst iat= 155, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1100,1108,
&end
#
#  11  PHE QE  78  GLN HA
 &rst iat= -1,1220, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 153,157,
&end
#
#  11  PHE HZ  78  GLN QB
 &rst iat= 155, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1222,1223,
&end
#
#  11  PHE H  79  LEU QD
 &rst iat= 143, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  11  PHE HA  79  LEU QD
 &rst iat= 145, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  11  PHE QB  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 147,148,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  11  PHE QD  79  LEU HG
 &rst iat= -1,1242, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,159,
&end
#
#  11  PHE QD  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,159,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  11  PHE QE  79  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 153,157,
igr2= 1239,1240,
&end
#
#  11  PHE QE  79  LEU HG
 &rst iat= -1,1242, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 153,157,
&end
#
#  11  PHE QE  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 153,157,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  11  PHE HZ  79  LEU HG
 &rst iat= 155,1242, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE HZ  79  LEU QD
 &rst iat= 155, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  11  PHE H  80  LYS H
 &rst iat= 143,1254, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  11  PHE H  80  LYS QE
 &rst iat= 143, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1267,1268,
&end
#
#  11  PHE QB  80  LYS H
 &rst iat= -1,1254, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 147,148,
&end
#
#  11  PHE QD  80  LYS H
 &rst iat= -1,1254, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 151,159,
&end
#
#  12  ALA H  12  ALA QB
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 167,168,169,
&end
#
#  12  ALA H  13  ALA H
 &rst iat= 163,173, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA HA  13  ALA H
 &rst iat= 165,173, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA HA  13  ALA QB
 &rst iat= 165, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 177,178,179,
&end
#
#  12  ALA QB  13  ALA H
 &rst iat= -1,173, r1= 0, r2= 0, r3= 3.72, r4= 4.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
&end
#
#  12  ALA QB  13  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.768,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
igr2= 177,178,179,
&end
#
#  12  ALA H  37  LEU HA
 &rst iat= 163,550, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA H  37  LEU QB
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 552,553,
&end
#
#  12  ALA H  37  LEU QD
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 557,558,559,561,562,563,
&end
#
#  12  ALA H  38  SER H
 &rst iat= 163,567, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA H  38  SER QB
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 571,572,
&end
#
#  12  ALA QB  38  SER H
 &rst iat= -1,567, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
&end
#
#  12  ALA QB  38  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
igr2= 571,572,
&end
#
#  12  ALA H  39  LYS HA
 &rst iat= 163,580, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA H  40  LYS H
 &rst iat= 163,600, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA QB  55  TRP HZ2
 &rst iat= -1,860, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
&end
#
#  12  ALA QB  55  TRP HH2
 &rst iat= -1,862, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
&end
#
#  12  ALA H  79  LEU HA
 &rst iat= 163,1237, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA H  79  LEU QD
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  12  ALA HA  79  LEU HA
 &rst iat= 165,1237, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA HA  79  LEU QB
 &rst iat= 165, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1239,1240,
&end
#
#  12  ALA HA  79  LEU QD
 &rst iat= 165, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  12  ALA QB  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.614, r4= 8.424,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  12  ALA H  80  LYS H
 &rst iat= 163,1254, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA H  80  LYS QG
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1261,1262,
&end
#
#  12  ALA H  80  LYS QE
 &rst iat= 163, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1267,1268,
&end
#
#  12  ALA HA  80  LYS H
 &rst iat= 165,1254, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA HA  80  LYS HA
 &rst iat= 165,1256, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  12  ALA HA  80  LYS QB
 &rst iat= 165, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1258,1259,
&end
#
#  12  ALA HA  80  LYS QG
 &rst iat= 165, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1261,1262,
&end
#
#  12  ALA HA  80  LYS QE
 &rst iat= 165, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1267,1268,
&end
#
#  12  ALA QB  80  LYS H
 &rst iat= -1,1254, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
&end
#
#  12  ALA QB  80  LYS HA
 &rst iat= -1,1256, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
&end
#
#  12  ALA QB  80  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
igr2= 1258,1259,
&end
#
#  12  ALA QB  80  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
igr2= 1261,1262,
&end
#
#  12  ALA QB  80  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
igr2= 1267,1268,
&end
#
#  12  ALA QB  81  GLY H
 &rst iat= -1,1276, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 167,168,169,
&end
#
#  13  ALA H  13  ALA QB
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 177,178,179,
&end
#
#  13  ALA H  14  GLU HA
 &rst iat= 173,185, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA HA  14  GLU H
 &rst iat= 175,183, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA QB  14  GLU H
 &rst iat= -1,183, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA QB  14  GLU HA
 &rst iat= -1,185, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA HA  35  VAL QG
 &rst iat= 175, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  13  ALA QB  35  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
igr2= 514,515,516,518,519,520,
&end
#
#  13  ALA HA  36  ARG H
 &rst iat= 175,524, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA QB  36  ARG H
 &rst iat= -1,524, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA H  37  LEU HA
 &rst iat= 173,550, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA H  37  LEU QB
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 552,553,
&end
#
#  13  ALA H  37  LEU QD
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 557,558,559,561,562,563,
&end
#
#  13  ALA HA  37  LEU H
 &rst iat= 175,548, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA HA  37  LEU HA
 &rst iat= 175,550, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA HA  37  LEU QB
 &rst iat= 175, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 552,553,
&end
#
#  13  ALA HA  37  LEU QD
 &rst iat= 175, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 557,558,559,561,562,563,
&end
#
#  13  ALA QB  37  LEU HA
 &rst iat= -1,550, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA QB  37  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
igr2= 552,553,
&end
#
#  13  ALA QB  37  LEU HG
 &rst iat= -1,555, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA QB  37  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.184, r4= 5.994,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
igr2= 557,558,559,561,562,563,
&end
#
#  13  ALA H  38  SER H
 &rst iat= 173,567, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA HA  38  SER H
 &rst iat= 175,567, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA QB  38  SER H
 &rst iat= -1,567, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA HA  55  TRP HZ3
 &rst iat= 175,864, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA H  79  LEU HA
 &rst iat= 173,1237, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA H  79  LEU QB
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1239,1240,
&end
#
#  13  ALA H  79  LEU QD
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  13  ALA HA  79  LEU QD
 &rst iat= 175, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  13  ALA QB  79  LEU H
 &rst iat= -1,1235, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA QB  79  LEU HA
 &rst iat= -1,1237, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA QB  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.508, r4= 6.318,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  13  ALA H  80  LYS H
 &rst iat= 173,1254, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA H  80  LYS HA
 &rst iat= 173,1256, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA H  80  LYS QB
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1258,1259,
&end
#
#  13  ALA H  80  LYS QE
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1267,1268,
&end
#
#  13  ALA QB  80  LYS H
 &rst iat= -1,1254, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA QB  80  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
igr2= 1258,1259,
&end
#
#  13  ALA H  81  GLY H
 &rst iat= 173,1276, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA H  81  GLY QA
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1278,1279,
&end
#
#  13  ALA H  82  PHE H
 &rst iat= 173,1283, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA H  82  PHE HA
 &rst iat= 173,1285, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  13  ALA H  82  PHE QB
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1287,1288,
&end
#
#  13  ALA QB  82  PHE H
 &rst iat= -1,1283, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA QB  82  PHE HA
 &rst iat= -1,1285, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA QB  82  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
igr2= 1287,1288,
&end
#
#  13  ALA QB  82  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
igr2= 1291,1299,
&end
#
#  13  ALA H  85  LEU QD
 &rst iat= 173, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  13  ALA HA  85  LEU QD
 &rst iat= 175, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  13  ALA QB  85  LEU HG
 &rst iat= -1,1340, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
&end
#
#  13  ALA QB  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  13  ALA QB  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.318, r4= 7.128,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 177,178,179,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  14  GLU H  14  GLU QG
 &rst iat= 183, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 190,191,
&end
#
#  14  GLU H  15  TYR H
 &rst iat= 183,198, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU H  15  TYR HA
 &rst iat= 183,200, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU H  15  TYR QD
 &rst iat= 183, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 206,215,
&end
#
#  14  GLU HA  15  TYR H
 &rst iat= 185,198, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU HA  15  TYR QD
 &rst iat= 185, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 206,215,
&end
#
#  14  GLU QB  15  TYR H
 &rst iat= -1,198, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 187,188,
&end
#
#  14  GLU QG  15  TYR H
 &rst iat= -1,198, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 190,191,
&end
#
#  14  GLU H  35  VAL HA
 &rst iat= 183,510, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU H  35  VAL QG
 &rst iat= 183, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  14  GLU H  36  ARG H
 &rst iat= 183,524, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU H  36  ARG HA
 &rst iat= 183,526, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU H  36  ARG QG
 &rst iat= 183, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 531,532,
&end
#
#  14  GLU HA  36  ARG H
 &rst iat= 185,524, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU QG  36  ARG H
 &rst iat= -1,524, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 190,191,
&end
#
#  14  GLU H  37  LEU H
 &rst iat= 183,548, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU H  37  LEU HA
 &rst iat= 183,550, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU H  37  LEU QB
 &rst iat= 183, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 552,553,
&end
#
#  14  GLU H  37  LEU QD
 &rst iat= 183, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 557,558,559,561,562,563,
&end
#
#  14  GLU HA  37  LEU QD
 &rst iat= 185, -1, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 557,558,559,561,562,563,
&end
#
#  14  GLU H  55  TRP HE3
 &rst iat= 183,866, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU H  55  TRP HZ3
 &rst iat= 183,864, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  14  GLU QB  55  TRP HZ3
 &rst iat= -1,864, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 187,188,
&end
#
#  14  GLU QB  55  TRP HH2
 &rst iat= -1,862, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 187,188,
&end
#
#  14  GLU QG  55  TRP HH2
 &rst iat= -1,862, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 190,191,
&end
#
#  14  GLU H  85  LEU QD
 &rst iat= 183, -1, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  14  GLU HA  85  LEU QD
 &rst iat= 185, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  14  GLU QB  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 187,188,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  15  TYR H  15  TYR QB
 &rst iat= 198, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 202,203,
&end
#
#  15  TYR H  15  TYR QD
 &rst iat= 198, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 206,215,
&end
#
#  15  TYR H  15  TYR QE
 &rst iat= 198, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 208,213,
&end
#
#  15  TYR HA  15  TYR QD
 &rst iat= 200, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 206,215,
&end
#
#  15  TYR HA  15  TYR QE
 &rst iat= 200, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 208,213,
&end
#
#  15  TYR QB  15  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 202,203,
igr2= 206,215,
&end
#
#  15  TYR H  16  ALA H
 &rst iat= 198,219, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR HA  16  ALA H
 &rst iat= 200,219, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR HA  16  ALA HA
 &rst iat= 200,221, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR HA  16  ALA QB
 &rst iat= 200, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 223,224,225,
&end
#
#  15  TYR QB  16  ALA H
 &rst iat= -1,219, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 202,203,
&end
#
#  15  TYR QD  16  ALA H
 &rst iat= -1,219, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
&end
#
#  15  TYR HA  33  GLY H
 &rst iat= 200,484, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR QB  33  GLY H
 &rst iat= -1,484, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 202,203,
&end
#
#  15  TYR QB  33  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 202,203,
igr2= 486,487,
&end
#
#  15  TYR HA  34  GLN H
 &rst iat= 200,491, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR HA  34  GLN 1HE2
 &rst iat= 200,503, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR QD  34  GLN HA
 &rst iat= -1,493, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
&end
#
#  15  TYR H  35  VAL QG
 &rst iat= 198, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  15  TYR HA  35  VAL HA
 &rst iat= 200,510, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR HA  35  VAL QG
 &rst iat= 200, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  15  TYR QB  35  VAL HA
 &rst iat= -1,510, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 202,203,
&end
#
#  15  TYR QD  35  VAL H
 &rst iat= -1,508, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
&end
#
#  15  TYR QD  35  VAL HA
 &rst iat= -1,510, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
&end
#
#  15  TYR QD  35  VAL HB
 &rst iat= -1,512, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
&end
#
#  15  TYR QD  35  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
igr2= 514,515,516,518,519,520,
&end
#
#  15  TYR QE  35  VAL H
 &rst iat= -1,508, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
&end
#
#  15  TYR QE  35  VAL HA
 &rst iat= -1,510, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
&end
#
#  15  TYR QE  35  VAL HB
 &rst iat= -1,512, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
&end
#
#  15  TYR QE  35  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
igr2= 514,515,516,518,519,520,
&end
#
#  15  TYR H  36  ARG H
 &rst iat= 198,524, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR H  36  ARG QG
 &rst iat= 198, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 531,532,
&end
#
#  15  TYR HA  36  ARG H
 &rst iat= 200,524, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR QD  36  ARG H
 &rst iat= -1,524, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
&end
#
#  15  TYR H  85  LEU HG
 &rst iat= 198,1340, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  15  TYR H  85  LEU QD
 &rst iat= 198, -1, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  15  TYR QB  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 202,203,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  15  TYR QD  85  LEU HA
 &rst iat= -1,1335, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
&end
#
#  15  TYR QD  85  LEU HG
 &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
&end
#
#  15  TYR QD  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  15  TYR QE  85  LEU HA
 &rst iat= -1,1335, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
&end
#
#  15  TYR QE  85  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
igr2= 1337,1338,
&end
#
#  15  TYR QE  85  LEU HG
 &rst iat= -1,1340, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
&end
#
#  15  TYR QE  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  15  TYR QD  86  ALA H
 &rst iat= -1,1352, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
&end
#
#  15  TYR QD  86  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 206,215,
igr2= 1356,1357,1358,
&end
#
#  15  TYR QE  86  ALA H
 &rst iat= -1,1352, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
&end
#
#  15  TYR QE  86  ALA HA
 &rst iat= -1,1354, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
&end
#
#  15  TYR QE  86  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
igr2= 1356,1357,1358,
&end
#
#  15  TYR QE  89  ASP H
 &rst iat= -1,1391, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 208,213,
&end
#
#  16  ALA H  16  ALA QB
 &rst iat= 219, -1, r1= 0, r2= 0, r3= 3.72, r4= 4.32,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 223,224,225,
&end
#
#  16  ALA H  17  LYS HA
 &rst iat= 219,231, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA QB  17  LYS HA
 &rst iat= -1,231, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA QB  18  SER H
 &rst iat= -1,251, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA H  30  ILE QG2
 &rst iat= 219, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,436,
&end
#
#  16  ALA HA  30  ILE QG2
 &rst iat= 221, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,436,
&end
#
#  16  ALA QB  30  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.752, r4= 5.472,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
igr2= 434,435,436,
&end
#
#  16  ALA QB  30  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
igr2= 441,442,443,
&end
#
#  16  ALA QB  31  GLU H
 &rst iat= -1,447, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA H  32  LYS HA
 &rst iat= 219,464, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA QB  32  LYS H
 &rst iat= -1,462, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA QB  32  LYS HA
 &rst iat= -1,464, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA QB  32  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
igr2= 475,476,
&end
#
#  16  ALA H  33  GLY H
 &rst iat= 219,484, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA H  33  GLY QA
 &rst iat= 219, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 486,487,
&end
#
#  16  ALA HA  33  GLY H
 &rst iat= 221,484, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA QB  33  GLY H
 &rst iat= -1,484, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA H  34  GLN H
 &rst iat= 219,491, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA H  34  GLN HA
 &rst iat= 219,493, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA H  34  GLN QB
 &rst iat= 219, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 495,496,
&end
#
#  16  ALA H  34  GLN QG
 &rst iat= 219, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 498,499,
&end
#
#  16  ALA HA  34  GLN 1HE2
 &rst iat= 221,503, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA QB  34  GLN H
 &rst iat= -1,491, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA QB  34  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
igr2= 495,496,
&end
#
#  16  ALA QB  34  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
igr2= 498,499,
&end
#
#  16  ALA QB  34  GLN 1HE2
 &rst iat= -1,503, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA QB  34  GLN 2HE2
 &rst iat= -1,504, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA H  35  VAL H
 &rst iat= 219,508, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA H  35  VAL HA
 &rst iat= 219,510, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA H  35  VAL QG
 &rst iat= 219, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  16  ALA QB  35  VAL H
 &rst iat= -1,508, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA QB  35  VAL HA
 &rst iat= -1,510, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
&end
#
#  16  ALA H  36  ARG HA
 &rst iat= 219,526, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  16  ALA H  36  ARG QG
 &rst iat= 219, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 531,532,
&end
#
#  16  ALA H  36  ARG QD
 &rst iat= 219, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 534,535,
&end
#
#  16  ALA HA  36  ARG QG
 &rst iat= 221, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 531,532,
&end
#
#  16  ALA HA  36  ARG QD
 &rst iat= 221, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 534,535,
&end
#
#  16  ALA QB  36  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 223,224,225,
igr2= 534,535,
&end
#
#  17  LYS HA  18  SER HA
 &rst iat= 231,253, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  17  LYS QB  18  SER H
 &rst iat= -1,251, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 233,234,
&end
#
#  17  LYS QB  18  SER HA
 &rst iat= -1,253, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 233,234,
&end
#
#  17  LYS HA  32  LYS QG
 &rst iat= 231, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 469,470,
&end
#
#  17  LYS HA  32  LYS QD
 &rst iat= 231, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 472,473,
&end
#
#  17  LYS HA  32  LYS QE
 &rst iat= 231, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 475,476,
&end
#
#  17  LYS QB  32  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 233,234,
igr2= 475,476,
&end
#
#  18  SER H  20  ARG H
 &rst iat= 251,276, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  SER H  20  ARG QB
 &rst iat= 251, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 280,281,
&end
#
#  18  SER HA  20  ARG H
 &rst iat= 253,276, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  SER HA  20  ARG QG
 &rst iat= 253, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 283,284,
&end
#
#  18  SER QB  20  ARG H
 &rst iat= -1,276, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 255,256,
&end
#
#  18  SER QB  20  ARG HA
 &rst iat= -1,278, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 255,256,
&end
#
#  18  SER QB  20  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 255,256,
igr2= 280,281,
&end
#
#  18  SER QB  20  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 255,256,
igr2= 283,284,
&end
#
#  18  SER QB  20  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 255,256,
igr2= 286,287,
&end
#
#  18  SER H  30  ILE QG2
 &rst iat= 251, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,436,
&end
#
#  18  SER H  32  LYS HA
 &rst iat= 251,464, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  18  SER H  32  LYS QG
 &rst iat= 251, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 469,470,
&end
#
#  18  SER H  32  LYS QE
 &rst iat= 251, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 475,476,
&end
#
#  18  SER HA  32  LYS QB
 &rst iat= 253, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 466,467,
&end
#
#  18  SER HA  32  LYS QG
 &rst iat= 253, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 469,470,
&end
#
#  18  SER HA  32  LYS QE
 &rst iat= 253, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 475,476,
&end
#
#  18  SER H  33  GLY H
 &rst iat= 251,484, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN HA  19  ASN 1HD2
 &rst iat= 264,271, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN HA  19  ASN 2HD2
 &rst iat= 264,272, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN QB  20  ARG H
 &rst iat= -1,276, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 266,267,
&end
#
#  19  ASN QB  20  ARG HA
 &rst iat= -1,278, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 266,267,
&end
#
#  19  ASN QB  20  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 266,267,
igr2= 283,284,
&end
#
#  19  ASN HA  21  SER H
 &rst iat= 264,300, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN HA  31  GLU H
 &rst iat= 264,447, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN HA  31  GLU HA
 &rst iat= 264,449, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN QB  31  GLU HA
 &rst iat= -1,449, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 266,267,
&end
#
#  19  ASN 1HD2  31  GLU HA
 &rst iat= 271,449, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN 2HD2  31  GLU HA
 &rst iat= 272,449, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN 1HD2  31  GLU QB
 &rst iat= 271, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 451,452,
&end
#
#  19  ASN 2HD2  31  GLU QG
 &rst iat= 272, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 454,455,
&end
#
#  19  ASN HA  32  LYS H
 &rst iat= 264,462, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN QB  32  LYS H
 &rst iat= -1,462, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 266,267,
&end
#
#  19  ASN QB  32  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 266,267,
igr2= 466,467,
&end
#
#  19  ASN 1HD2  32  LYS H
 &rst iat= 271,462, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN 2HD2  32  LYS H
 &rst iat= 272,462, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN 2HD2  32  LYS HA
 &rst iat= 272,464, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  19  ASN 1HD2  32  LYS QB
 &rst iat= 271, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 466,467,
&end
#
#  19  ASN 2HD2  32  LYS QB
 &rst iat= 272, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 466,467,
&end
#
#  20  ARG H  20  ARG QB
 &rst iat= 276, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 280,281,
&end
#
#  20  ARG H  20  ARG QG
 &rst iat= 276, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 283,284,
&end
#
#  20  ARG H  20  ARG QD
 &rst iat= 276, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 286,287,
&end
#
#  20  ARG HA  20  ARG QG
 &rst iat= 278, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 283,284,
&end
#
#  20  ARG HA  20  ARG QD
 &rst iat= 278, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 286,287,
&end
#
#  20  ARG QB  20  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 280,281,
igr2= 286,287,
&end
#
#  20  ARG H  21  SER H
 &rst iat= 276,300, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  20  ARG QB  21  SER H
 &rst iat= -1,300, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 280,281,
&end
#
#  20  ARG QG  21  SER H
 &rst iat= -1,300, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 283,284,
&end
#
#  20  ARG QD  21  SER H
 &rst iat= -1,300, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 286,287,
&end
#
#  21  SER H  22  THR H
 &rst iat= 300,311, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  SER HA  22  THR H
 &rst iat= 302,311, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  SER QB  22  THR H
 &rst iat= -1,311, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 304,305,
&end
#
#  21  SER H  30  ILE H
 &rst iat= 300,428, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  SER H  30  ILE HB
 &rst iat= 300,432, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  21  SER H  30  ILE QG2
 &rst iat= 300, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,436,
&end
#
#  21  SER H  30  ILE QD1
 &rst iat= 300, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  21  SER QB  30  ILE H
 &rst iat= -1,428, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 304,305,
&end
#
#  21  SER QB  30  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 304,305,
igr2= 434,435,436,
&end
#
#  21  SER QB  30  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 304,305,
igr2= 441,442,443,
&end
#
#  21  SER QB  55  TRP HD1
 &rst iat= -1,855, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 304,305,
&end
#
#  21  SER QB  55  TRP HE1
 &rst iat= -1,857, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 304,305,
&end
#
#  21  SER QB  55  TRP HE3
 &rst iat= -1,866, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 304,305,
&end
#
#  22  THR H  22  THR HB
 &rst iat= 311,315, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR H  22  THR QG2
 &rst iat= 311, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 317,318,319,
&end
#
#  22  THR HA  22  THR QG2
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 3.48, r4= 4.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 317,318,319,
&end
#
#  22  THR H  23  CYS H
 &rst iat= 311,325, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR HA  23  CYS H
 &rst iat= 313,325, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR HA  23  CYS QB
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 330,329,
&end
#
#  22  THR HB  23  CYS H
 &rst iat= 315,325, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR QG2  23  CYS H
 &rst iat= -1,325, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR QG2  23  CYS HA
 &rst iat= -1,327, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR QG2  23  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
igr2= 330,329,
&end
#
#  22  THR H  24  LYS H
 &rst iat= 311,335, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR HB  24  LYS H
 &rst iat= 315,335, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR QG2  24  LYS H
 &rst iat= -1,335, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR QG2  24  LYS HA
 &rst iat= -1,337, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR QG2  26  CYS H
 &rst iat= -1,364, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR HB  27  MET QE
 &rst iat= 315, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 385,386,387,
&end
#
#  22  THR QG2  27  MET H
 &rst iat= -1,374, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR QG2  27  MET QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
igr2= 378,379,
&end
#
#  22  THR QG2  27  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.4512, r4= 7.1232,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
igr2= 381,382,
&end
#
#  22  THR QG2  27  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.608, r4= 5.328,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
igr2= 385,386,387,
&end
#
#  22  THR HA  28  GLU H
 &rst iat= 313,391, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR QG2  28  GLU H
 &rst iat= -1,391, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR QG2  28  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
igr2= 395,396,
&end
#
#  22  THR HA  29  LYS H
 &rst iat= 313,406, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR HA  29  LYS QB
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 410,411,
&end
#
#  22  THR HB  29  LYS HA
 &rst iat= 315,408, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR HB  29  LYS QB
 &rst iat= 315, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 410,411,
&end
#
#  22  THR QG2  29  LYS H
 &rst iat= -1,406, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR QG2  29  LYS HA
 &rst iat= -1,408, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR QG2  29  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
igr2= 410,411,
&end
#
#  22  THR H  30  ILE H
 &rst iat= 311,428, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR H  30  ILE HB
 &rst iat= 311,432, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR H  30  ILE QG2
 &rst iat= 311, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,436,
&end
#
#  22  THR H  30  ILE QD1
 &rst iat= 311, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  22  THR HA  30  ILE H
 &rst iat= 313,428, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR HA  30  ILE HB
 &rst iat= 313,432, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR HA  30  ILE QG1
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 438,439,
&end
#
#  22  THR HA  30  ILE QG2
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,436,
&end
#
#  22  THR HA  30  ILE QD1
 &rst iat= 313, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  22  THR HB  30  ILE H
 &rst iat= 315,428, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR QG2  30  ILE H
 &rst iat= -1,428, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  22  THR H  55  TRP QB
 &rst iat= 311, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 851,852,
&end
#
#  22  THR H  55  TRP HD1
 &rst iat= 311,855, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  22  THR QG2  57  HIS HE1
 &rst iat= -1,901, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 317,318,319,
&end
#
#  23  CYS H  23  CYS QB
 &rst iat= 325, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 330,329,
&end
#
#  23  CYS H  24  LYS H
 &rst iat= 325,335, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  24  LYS H
 &rst iat= 327,335, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS QB  24  LYS H
 &rst iat= -1,335, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  23  CYS H  25  GLY H
 &rst iat= 325,357, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  25  GLY H
 &rst iat= 327,357, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS QB  25  GLY H
 &rst iat= -1,357, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  23  CYS QB  26  CYS H
 &rst iat= -1,364, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  23  CYS H  27  MET QE
 &rst iat= 325, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 385,386,387,
&end
#
#  23  CYS QB  27  MET H
 &rst iat= -1,374, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  23  CYS H  28  GLU H
 &rst iat= 325,391, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS H  28  GLU HA
 &rst iat= 325,393, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS H  28  GLU QB
 &rst iat= 325, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 395,396,
&end
#
#  23  CYS HA  28  GLU H
 &rst iat= 327,391, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS QB  28  GLU H
 &rst iat= -1,391, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  23  CYS QB  28  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
igr2= 395,396,
&end
#
#  23  CYS QB  28  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
igr2= 398,399,
&end
#
#  23  CYS H  30  ILE H
 &rst iat= 325,428, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS H  30  ILE HA
 &rst iat= 325,430, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS H  30  ILE HB
 &rst iat= 325,432, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS H  30  ILE QG1
 &rst iat= 325, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 438,439,
&end
#
#  23  CYS H  30  ILE QG2
 &rst iat= 325, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,436,
&end
#
#  23  CYS H  30  ILE QD1
 &rst iat= 325, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  23  CYS HA  30  ILE H
 &rst iat= 327,428, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  30  ILE QD1
 &rst iat= 327, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  23  CYS QB  30  ILE H
 &rst iat= -1,428, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  23  CYS QB  30  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
igr2= 438,439,
&end
#
#  23  CYS QB  30  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.376, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
igr2= 441,442,443,
&end
#
#  23  CYS HA  55  TRP H
 &rst iat= 327,847, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS H  56  TYR HA
 &rst iat= 325,873, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  56  TYR HA
 &rst iat= 327,873, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  56  TYR QD
 &rst iat= 327, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,888,
&end
#
#  23  CYS QB  56  TYR HA
 &rst iat= -1,873, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  23  CYS H  57  HIS H
 &rst iat= 325,892, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS H  57  HIS HE1
 &rst iat= 325,901, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  57  HIS H
 &rst iat= 327,892, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS HA  57  HIS HE1
 &rst iat= 327,901, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  23  CYS QB  57  HIS H
 &rst iat= -1,892, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  23  CYS QB  57  HIS HA
 &rst iat= -1,894, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  23  CYS QB  57  HIS HE1
 &rst iat= -1,901, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 330,329,
&end
#
#  24  LYS H  24  LYS QB
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 339,340,
&end
#
#  24  LYS H  24  LYS QG
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 342,343,
&end
#
#  24  LYS H  24  LYS QE
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 348,349,
&end
#
#  24  LYS QB  24  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
igr2= 348,349,
&end
#
#  24  LYS H  25  GLY H
 &rst iat= 335,357, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS HA  25  GLY QA
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 359,360,
&end
#
#  24  LYS QB  25  GLY H
 &rst iat= -1,357, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
&end
#
#  24  LYS QB  25  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
igr2= 359,360,
&end
#
#  24  LYS QG  25  GLY H
 &rst iat= -1,357, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 342,343,
&end
#
#  24  LYS H  26  CYS H
 &rst iat= 335,364, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS HA  26  CYS H
 &rst iat= 337,364, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS HA  27  MET H
 &rst iat= 337,374, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS HA  27  MET QG
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 381,382,
&end
#
#  24  LYS HA  27  MET QE
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 385,386,387,
&end
#
#  24  LYS QB  27  MET H
 &rst iat= -1,374, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
&end
#
#  24  LYS QB  27  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
igr2= 385,386,387,
&end
#
#  24  LYS QG  27  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 342,343,
igr2= 385,386,387,
&end
#
#  24  LYS H  30  ILE QD1
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  24  LYS H  54  ARG QB
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 827,828,
&end
#
#  24  LYS QB  54  ARG HA
 &rst iat= -1,825, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
&end
#
#  24  LYS QB  54  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.76672, r4= 5.39392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
igr2= 830,831,
&end
#
#  24  LYS QG  54  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 342,343,
igr2= 830,831,
&end
#
#  24  LYS QG  54  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 342,343,
igr2= 833,834,
&end
#
#  24  LYS QE  54  ARG HA
 &rst iat= -1,825, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 348,349,
&end
#
#  24  LYS H  55  TRP H
 &rst iat= 335,847, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS H  55  TRP HA
 &rst iat= 335,849, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS H  55  TRP QB
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 851,852,
&end
#
#  24  LYS QB  55  TRP H
 &rst iat= -1,847, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
&end
#
#  24  LYS QG  55  TRP H
 &rst iat= -1,847, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 342,343,
&end
#
#  24  LYS QE  55  TRP HD1
 &rst iat= -1,855, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 348,349,
&end
#
#  24  LYS H  56  TYR H
 &rst iat= 335,871, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS H  56  TYR HA
 &rst iat= 335,873, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  24  LYS H  56  TYR QD
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,888,
&end
#
#  24  LYS H  56  TYR QE
 &rst iat= 335, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 881,886,
&end
#
#  24  LYS HA  56  TYR QD
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,888,
&end
#
#  24  LYS HA  56  TYR QE
 &rst iat= 337, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 881,886,
&end
#
#  24  LYS QB  56  TYR H
 &rst iat= -1,871, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
&end
#
#  24  LYS QB  56  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 339,340,
igr2= 881,886,
&end
#
#  24  LYS QG  56  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 342,343,
igr2= 879,888,
&end
#
#  24  LYS H  57  HIS H
 &rst iat= 335,892, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  GLY H  26  CYS H
 &rst iat= 357,364, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  GLY H  26  CYS HA
 &rst iat= 357,366, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  GLY QA  26  CYS HA
 &rst iat= -1,366, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,360,
&end
#
#  25  GLY H  27  MET H
 &rst iat= 357,374, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  GLY H  27  MET QE
 &rst iat= 357, -1, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 385,386,387,
&end
#
#  25  GLY QA  27  MET H
 &rst iat= -1,374, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,360,
&end
#
#  25  GLY H  28  GLU H
 &rst iat= 357,391, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  GLY H  54  ARG QG
 &rst iat= 357, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 830,831,
&end
#
#  25  GLY H  56  TYR H
 &rst iat= 357,871, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  GLY H  56  TYR HA
 &rst iat= 357,873, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  GLY H  56  TYR QB
 &rst iat= 357, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 875,876,
&end
#
#  25  GLY H  56  TYR QD
 &rst iat= 357, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,888,
&end
#
#  25  GLY H  56  TYR QE
 &rst iat= 357, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 881,886,
&end
#
#  25  GLY QA  56  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,360,
igr2= 879,888,
&end
#
#  25  GLY QA  56  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,360,
igr2= 881,886,
&end
#
#  25  GLY H  57  HIS H
 &rst iat= 357,892, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  GLY QA  57  HIS H
 &rst iat= -1,892, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,360,
&end
#
#  25  GLY H  60  CYS QB
 &rst iat= 357, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 935,934,
&end
#
#  25  GLY QA  60  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,360,
igr2= 935,934,
&end
#
#  25  GLY H  64  ASN 2HD2
 &rst iat= 357,1008, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  25  GLY QA  64  ASN 2HD2
 &rst iat= -1,1008, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,360,
&end
#
#  25  GLY H  68  LEU QD
 &rst iat= 357, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  25  GLY QA  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 359,360,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  26  CYS H  27  MET H
 &rst iat= 364,374, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  CYS H  27  MET QE
 &rst iat= 364, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 385,386,387,
&end
#
#  26  CYS HA  27  MET HA
 &rst iat= 366,376, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  CYS QB  27  MET H
 &rst iat= -1,374, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 369,368,
&end
#
#  26  CYS H  28  GLU H
 &rst iat= 364,391, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  CYS H  28  GLU QG
 &rst iat= 364, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 398,399,
&end
#
#  26  CYS HA  28  GLU H
 &rst iat= 366,391, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  CYS QB  28  GLU H
 &rst iat= -1,391, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 369,368,
&end
#
#  26  CYS QB  28  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 369,368,
igr2= 395,396,
&end
#
#  26  CYS QB  28  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 369,368,
igr2= 398,399,
&end
#
#  26  CYS H  56  TYR HA
 &rst iat= 364,873, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  CYS H  56  TYR QD
 &rst iat= 364, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,888,
&end
#
#  26  CYS H  57  HIS H
 &rst iat= 364,892, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  26  CYS H  60  CYS QB
 &rst iat= 364, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 935,934,
&end
#
#  26  CYS HA  60  CYS QB
 &rst iat= 366, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 935,934,
&end
#
#  26  CYS QB  63  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 369,368,
igr2= 989,990,
&end
#
#  26  CYS H  64  ASN 2HD2
 &rst iat= 364,1008, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  MET H  27  MET QB
 &rst iat= 374, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 378,379,
&end
#
#  27  MET H  27  MET QE
 &rst iat= 374, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 385,386,387,
&end
#
#  27  MET HA  27  MET QG
 &rst iat= 376, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 381,382,
&end
#
#  27  MET HA  27  MET QE
 &rst iat= 376, -1, r1= 0, r2= 0, r3= 4.08, r4= 4.68,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 385,386,387,
&end
#
#  27  MET QB  27  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 378,379,
igr2= 385,386,387,
&end
#
#  27  MET QG  27  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.4352, r4= 5.1072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 381,382,
igr2= 385,386,387,
&end
#
#  27  MET H  28  GLU H
 &rst iat= 374,391, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  MET H  28  GLU HA
 &rst iat= 374,393, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  27  MET QG  28  GLU H
 &rst iat= -1,391, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 381,382,
&end
#
#  28  GLU H  28  GLU QB
 &rst iat= 391, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 395,396,
&end
#
#  28  GLU H  28  GLU QG
 &rst iat= 391, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 398,399,
&end
#
#  28  GLU H  29  LYS H
 &rst iat= 391,406, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  GLU HA  29  LYS H
 &rst iat= 393,406, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  GLU HA  29  LYS QG
 &rst iat= 393, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 413,414,
&end
#
#  28  GLU QG  29  LYS H
 &rst iat= -1,406, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 398,399,
&end
#
#  28  GLU H  30  ILE QD1
 &rst iat= 391, -1, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  28  GLU H  57  HIS HE1
 &rst iat= 391,901, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  28  GLU QG  57  HIS HE1
 &rst iat= -1,901, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 398,399,
&end
#
#  29  LYS H  29  LYS QB
 &rst iat= 406, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 410,411,
&end
#
#  29  LYS H  29  LYS QG
 &rst iat= 406, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 413,414,
&end
#
#  29  LYS HA  29  LYS QG
 &rst iat= 408, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 413,414,
&end
#
#  29  LYS H  30  ILE H
 &rst iat= 406,428, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  LYS H  30  ILE HA
 &rst iat= 406,430, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  LYS H  30  ILE QG1
 &rst iat= 406, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 438,439,
&end
#
#  29  LYS HA  30  ILE HB
 &rst iat= 408,432, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  LYS HA  30  ILE QD1
 &rst iat= 408, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  29  LYS QB  30  ILE H
 &rst iat= -1,428, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 410,411,
&end
#
#  29  LYS QB  30  ILE HB
 &rst iat= -1,432, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 410,411,
&end
#
#  29  LYS QG  30  ILE H
 &rst iat= -1,428, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 413,414,
&end
#
#  29  LYS H  57  HIS HE1
 &rst iat= 406,901, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  29  LYS HA  57  HIS HE1
 &rst iat= 408,901, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ILE H  30  ILE HB
 &rst iat= 428,432, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ILE H  30  ILE QG1
 &rst iat= 428, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 438,439,
&end
#
#  30  ILE H  30  ILE QG2
 &rst iat= 428, -1, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,436,
&end
#
#  30  ILE H  30  ILE QD1
 &rst iat= 428, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  30  ILE HA  30  ILE QG2
 &rst iat= 430, -1, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 434,435,436,
&end
#
#  30  ILE HA  30  ILE QD1
 &rst iat= 430, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 441,442,443,
&end
#
#  30  ILE QG2  30  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
igr2= 438,439,
&end
#
#  30  ILE QG2  30  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.896, r4= 5.616,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
igr2= 441,442,443,
&end
#
#  30  ILE H  31  GLU H
 &rst iat= 428,447, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ILE HA  31  GLU H
 &rst iat= 430,447, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ILE HA  31  GLU QB
 &rst iat= 430, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 451,452,
&end
#
#  30  ILE HA  31  GLU QG
 &rst iat= 430, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 454,455,
&end
#
#  30  ILE HB  31  GLU H
 &rst iat= 432,447, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ILE QG1  31  GLU H
 &rst iat= -1,447, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 438,439,
&end
#
#  30  ILE QG2  31  GLU H
 &rst iat= -1,447, r1= 0, r2= 0, r3= 4.2, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE QG2  31  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5856, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
igr2= 454,455,
&end
#
#  30  ILE QD1  31  GLU H
 &rst iat= -1,447, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QG2  32  LYS H
 &rst iat= -1,462, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE QG2  33  GLY H
 &rst iat= -1,484, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE HB  34  GLN 1HE2
 &rst iat= 432,503, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ILE QG2  34  GLN H
 &rst iat= -1,491, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE QG2  34  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
igr2= 495,496,
&end
#
#  30  ILE QG2  34  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1232, r4= 7.7952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
igr2= 498,499,
&end
#
#  30  ILE QG2  34  GLN 1HE2
 &rst iat= -1,503, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE QG2  34  GLN 2HE2
 &rst iat= -1,504, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE QD1  34  GLN 2HE2
 &rst iat= -1,504, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QG2  36  ARG HA
 &rst iat= -1,526, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE QG2  36  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
igr2= 528,529,
&end
#
#  30  ILE QG2  36  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
igr2= 534,535,
&end
#
#  30  ILE QD1  36  ARG HA
 &rst iat= -1,526, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QD1  36  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
igr2= 528,529,
&end
#
#  30  ILE QD1  36  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
igr2= 534,535,
&end
#
#  30  ILE QG2  55  TRP HE3
 &rst iat= -1,866, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE QD1  55  TRP H
 &rst iat= -1,847, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QD1  55  TRP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5104, r4= 6.1824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
igr2= 851,852,
&end
#
#  30  ILE QD1  55  TRP HD1
 &rst iat= -1,855, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QD1  55  TRP HE3
 &rst iat= -1,866, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QD1  56  TYR H
 &rst iat= -1,871, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QD1  56  TYR HA
 &rst iat= -1,873, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE HA  57  HIS HD2
 &rst iat= 430,905, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ILE HA  57  HIS HE1
 &rst iat= 430,901, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  30  ILE QG1  57  HIS H
 &rst iat= -1,892, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 438,439,
&end
#
#  30  ILE QG1  57  HIS HD2
 &rst iat= -1,905, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 438,439,
&end
#
#  30  ILE QG2  57  HIS HD2
 &rst iat= -1,905, r1= 0, r2= 0, r3= 4.92, r4= 5.52,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE QG1  57  HIS HE1
 &rst iat= -1,901, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 438,439,
&end
#
#  30  ILE QG2  57  HIS HE1
 &rst iat= -1,901, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 434,435,436,
&end
#
#  30  ILE QD1  57  HIS H
 &rst iat= -1,892, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QD1  57  HIS HA
 &rst iat= -1,894, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QD1  57  HIS HD2
 &rst iat= -1,905, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  30  ILE QD1  57  HIS HE1
 &rst iat= -1,901, r1= 0, r2= 0, r3= 6.12, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 441,442,443,
&end
#
#  31  GLU H  31  GLU QB
 &rst iat= 447, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 451,452,
&end
#
#  31  GLU H  31  GLU QG
 &rst iat= 447, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 454,455,
&end
#
#  31  GLU HA  31  GLU QG
 &rst iat= 449, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 454,455,
&end
#
#  31  GLU H  32  LYS H
 &rst iat= 447,462, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  GLU HA  32  LYS H
 &rst iat= 449,462, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  GLU HA  32  LYS HA
 &rst iat= 449,464, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  GLU QB  32  LYS H
 &rst iat= -1,462, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 451,452,
&end
#
#  31  GLU QG  32  LYS H
 &rst iat= -1,462, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 454,455,
&end
#
#  31  GLU H  34  GLN QG
 &rst iat= 447, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 498,499,
&end
#
#  31  GLU H  34  GLN 1HE2
 &rst iat= 447,503, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  GLU H  34  GLN 2HE2
 &rst iat= 447,504, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  31  GLU QB  34  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 451,452,
igr2= 498,499,
&end
#
#  31  GLU QB  34  GLN 1HE2
 &rst iat= -1,503, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 451,452,
&end
#
#  31  GLU QG  34  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 454,455,
igr2= 498,499,
&end
#
#  31  GLU H  57  HIS HE1
 &rst iat= 447,901, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  LYS H  32  LYS QB
 &rst iat= 462, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 466,467,
&end
#
#  32  LYS H  32  LYS QG
 &rst iat= 462, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 469,470,
&end
#
#  32  LYS H  32  LYS QD
 &rst iat= 462, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 472,473,
&end
#
#  32  LYS HA  32  LYS QG
 &rst iat= 464, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 469,470,
&end
#
#  32  LYS HA  32  LYS QD
 &rst iat= 464, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 472,473,
&end
#
#  32  LYS HA  32  LYS QE
 &rst iat= 464, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 475,476,
&end
#
#  32  LYS QB  32  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 466,467,
igr2= 475,476,
&end
#
#  32  LYS QG  32  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.26496, r4= 4.89216,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 469,470,
igr2= 475,476,
&end
#
#  32  LYS QD  32  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 472,473,
igr2= 475,476,
&end
#
#  32  LYS H  33  GLY H
 &rst iat= 462,484, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  LYS HA  33  GLY H
 &rst iat= 464,484, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  32  LYS HA  33  GLY QA
 &rst iat= 464, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 486,487,
&end
#
#  32  LYS QB  33  GLY H
 &rst iat= -1,484, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 466,467,
&end
#
#  32  LYS QG  33  GLY H
 &rst iat= -1,484, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 469,470,
&end
#
#  32  LYS QD  33  GLY H
 &rst iat= -1,484, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 472,473,
&end
#
#  32  LYS QD  33  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 472,473,
igr2= 486,487,
&end
#
#  32  LYS QE  33  GLY H
 &rst iat= -1,484, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 475,476,
&end
#
#  32  LYS H  34  GLN QG
 &rst iat= 462, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 498,499,
&end
#
#  32  LYS HA  34  GLN H
 &rst iat= 464,491, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  GLY H  34  GLN H
 &rst iat= 484,491, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  GLY H  34  GLN HA
 &rst iat= 484,493, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  33  GLY QA  34  GLN QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 486,487,
igr2= 498,499,
&end
#
#  34  GLN H  34  GLN QB
 &rst iat= 491, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 495,496,
&end
#
#  34  GLN H  34  GLN QG
 &rst iat= 491, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 498,499,
&end
#
#  34  GLN H  34  GLN 1HE2
 &rst iat= 491,503, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  GLN H  34  GLN 2HE2
 &rst iat= 491,504, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  GLN HA  34  GLN QG
 &rst iat= 493, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 498,499,
&end
#
#  34  GLN HA  34  GLN 1HE2
 &rst iat= 493,503, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  GLN HA  34  GLN 2HE2
 &rst iat= 493,504, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  GLN QG  34  GLN 1HE2
 &rst iat= -1,503, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 498,499,
&end
#
#  34  GLN H  35  VAL H
 &rst iat= 491,508, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  GLN H  35  VAL QG
 &rst iat= 491, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  34  GLN HA  35  VAL H
 &rst iat= 493,508, r1= 0, r2= 0, r3= 3.1, r4= 3.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  GLN HA  35  VAL HA
 &rst iat= 493,510, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  GLN HA  35  VAL HB
 &rst iat= 493,512, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  GLN HA  35  VAL QG
 &rst iat= 493, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  34  GLN QB  35  VAL H
 &rst iat= -1,508, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 495,496,
&end
#
#  34  GLN 2HE2  35  VAL QG
 &rst iat= 504, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  34  GLN 1HE2  36  ARG QB
 &rst iat= 503, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 528,529,
&end
#
#  34  GLN 2HE2  36  ARG QB
 &rst iat= 504, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 528,529,
&end
#
#  34  GLN 2HE2  36  ARG QD
 &rst iat= 504, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 534,535,
&end
#
#  34  GLN QG  57  HIS HD2
 &rst iat= -1,905, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 498,499,
&end
#
#  34  GLN 2HE2  57  HIS HA
 &rst iat= 504,894, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  34  GLN 2HE2  57  HIS HD2
 &rst iat= 504,905, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  VAL H  35  VAL HB
 &rst iat= 508,512, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  VAL H  35  VAL QG
 &rst iat= 508, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  35  VAL HA  35  VAL QG
 &rst iat= 510, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 514,515,516,518,519,520,
&end
#
#  35  VAL HA  36  ARG H
 &rst iat= 510,524, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  35  VAL HA  36  ARG QG
 &rst iat= 510, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 531,532,
&end
#
#  35  VAL QG  36  ARG H
 &rst iat= -1,524, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
&end
#
#  35  VAL QG  36  ARG HA
 &rst iat= -1,526, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
&end
#
#  35  VAL QG  37  LEU H
 &rst iat= -1,548, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
&end
#
#  35  VAL QG  37  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 552,553,
&end
#
#  35  VAL QG  37  LEU HG
 &rst iat= -1,555, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
&end
#
#  35  VAL QG  37  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4675, r4= 6.37875,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 557,558,559,561,562,563,
&end
#
#  35  VAL QG  58  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 916,917,
&end
#
#  35  VAL QG  58  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 913,914,
&end
#
#  35  VAL QG  58  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 910,911,
&end
#
#  35  VAL H  85  LEU QD
 &rst iat= 508, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  35  VAL HA  85  LEU QD
 &rst iat= 510, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  35  VAL QG  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.561, r4= 7.47225,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  35  VAL QG  86  ALA H
 &rst iat= -1,1352, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
&end
#
#  35  VAL QG  86  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.614, r4= 8.424,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 1356,1357,1358,
&end
#
#  35  VAL QG  89  ASP H
 &rst iat= -1,1391, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
&end
#
#  35  VAL QG  89  ASP HA
 &rst iat= -1,1393, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
&end
#
#  35  VAL QG  89  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 1395,1396,
&end
#
#  35  VAL QG  92  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.91, r4= 9.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 1444,1445,1446,
&end
#
#  35  VAL H  93  LEU QD
 &rst iat= 508, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  35  VAL QG  93  LEU H
 &rst iat= -1,1450, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
&end
#
#  35  VAL QG  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4675, r4= 6.37875,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 514,515,516,518,519,520,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  36  ARG H  36  ARG QG
 &rst iat= 524, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 531,532,
&end
#
#  36  ARG H  36  ARG QD
 &rst iat= 524, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 534,535,
&end
#
#  36  ARG QB  36  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
igr2= 531,532,
&end
#
#  36  ARG H  37  LEU QD
 &rst iat= 524, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 557,558,559,561,562,563,
&end
#
#  36  ARG HA  37  LEU H
 &rst iat= 526,548, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ARG HA  37  LEU QD
 &rst iat= 526, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 557,558,559,561,562,563,
&end
#
#  36  ARG QB  37  LEU H
 &rst iat= -1,548, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
&end
#
#  36  ARG HA  55  TRP HE3
 &rst iat= 526,866, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ARG QB  55  TRP HZ3
 &rst iat= -1,864, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
&end
#
#  36  ARG QG  55  TRP HE3
 &rst iat= -1,866, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 531,532,
&end
#
#  36  ARG QG  55  TRP HZ3
 &rst iat= -1,864, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 531,532,
&end
#
#  36  ARG QG  55  TRP HH2
 &rst iat= -1,862, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 531,532,
&end
#
#  36  ARG QD  55  TRP HE3
 &rst iat= -1,866, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 534,535,
&end
#
#  36  ARG HA  57  HIS HA
 &rst iat= 526,894, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ARG HA  57  HIS HD2
 &rst iat= 526,905, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  36  ARG QB  57  HIS HD2
 &rst iat= -1,905, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 528,529,
&end
#
#  36  ARG HA  58  PRO QG
 &rst iat= 526, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 913,914,
&end
#
#  36  ARG HA  58  PRO QD
 &rst iat= 526, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 910,911,
&end
#
#  36  ARG H  85  LEU QD
 &rst iat= 524, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  37  LEU H  37  LEU HG
 &rst iat= 548,555, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU H  37  LEU QD
 &rst iat= 548, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 557,558,559,561,562,563,
&end
#
#  37  LEU HA  37  LEU QD
 &rst iat= 550, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 557,558,559,561,562,563,
&end
#
#  37  LEU QB  37  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.292, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 552,553,
igr2= 557,558,559,561,562,563,
&end
#
#  37  LEU H  38  SER H
 &rst iat= 548,567, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU HA  38  SER H
 &rst iat= 550,567, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU QB  38  SER H
 &rst iat= -1,567, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 552,553,
&end
#
#  37  LEU QD  38  SER H
 &rst iat= -1,567, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU H  55  TRP QB
 &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 851,852,
&end
#
#  37  LEU H  55  TRP HE3
 &rst iat= 548,866, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU H  55  TRP HZ3
 &rst iat= 548,864, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU HA  55  TRP HE3
 &rst iat= 550,866, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU HA  55  TRP HZ3
 &rst iat= 550,864, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU QD  55  TRP HZ3
 &rst iat= -1,864, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU H  56  TYR H
 &rst iat= 548,871, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU H  56  TYR QB
 &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 875,876,
&end
#
#  37  LEU QB  56  TYR H
 &rst iat= -1,871, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 552,553,
&end
#
#  37  LEU H  57  HIS H
 &rst iat= 548,892, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU H  57  HIS HA
 &rst iat= 548,894, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU QB  57  HIS H
 &rst iat= -1,892, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 552,553,
&end
#
#  37  LEU QD  57  HIS H
 &rst iat= -1,892, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU H  58  PRO HA
 &rst iat= 548,919, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU H  58  PRO QD
 &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 910,911,
&end
#
#  37  LEU HG  58  PRO HA
 &rst iat= 555,919, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU QD  58  PRO HA
 &rst iat= -1,919, r1= 0, r2= 0, r3= 4.32, r4= 4.995,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU QD  58  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 916,917,
&end
#
#  37  LEU QD  58  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 913,914,
&end
#
#  37  LEU QD  58  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 910,911,
&end
#
#  37  LEU QD  59  GLY H
 &rst iat= -1,923, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU QD  60  CYS H
 &rst iat= -1,930, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU H  61  PHE QB
 &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,
&end
#
#  37  LEU H  61  PHE QD
 &rst iat= 548, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 948,956,
&end
#
#  37  LEU QB  61  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 552,553,
igr2= 948,956,
&end
#
#  37  LEU HG  61  PHE QD
 &rst iat= 555, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 948,956,
&end
#
#  37  LEU HG  61  PHE QE
 &rst iat= 555, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 950,954,
&end
#
#  37  LEU QD  61  PHE H
 &rst iat= -1,940, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU QD  61  PHE HA
 &rst iat= -1,942, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU QD  61  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 944,945,
&end
#
#  37  LEU QD  61  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 948,956,
&end
#
#  37  LEU QD  61  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 950,954,
&end
#
#  37  LEU QD  62  VAL H
 &rst iat= -1,960, r1= 0, r2= 0, r3= 6.21, r4= 6.885,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU QD  62  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.56575, r4= 9.477,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 966,967,968,970,971,972,
&end
#
#  37  LEU QD  76  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.938, r4= 8.748,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 1201,1202,1203,
&end
#
#  37  LEU HA  79  LEU QD
 &rst iat= 550, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  37  LEU QB  79  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 552,553,
igr2= 1239,1240,
&end
#
#  37  LEU HG  79  LEU HG
 &rst iat= 555,1242, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  37  LEU QD  79  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 1239,1240,
&end
#
#  37  LEU QD  79  LEU HG
 &rst iat= -1,1242, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU QD  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.561, r4= 7.47225,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  37  LEU QD  93  LEU HA
 &rst iat= -1,1452, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
&end
#
#  37  LEU QD  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1965, r4= 7.10775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 557,558,559,561,562,563,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  38  SER H  38  SER QB
 &rst iat= 567, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 571,572,
&end
#
#  38  SER H  39  LYS H
 &rst iat= 567,578, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER HA  39  LYS H
 &rst iat= 569,578, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER HA  39  LYS QB
 &rst iat= 569, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 582,583,
&end
#
#  38  SER QB  39  LYS H
 &rst iat= -1,578, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER QB  39  LYS HA
 &rst iat= -1,580, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER HA  53  ASP HA
 &rst iat= 569,813, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER QB  53  ASP HA
 &rst iat= -1,813, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER QB  53  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
igr2= 815,816,
&end
#
#  38  SER HA  54  ARG H
 &rst iat= 569,823, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER HA  54  ARG QB
 &rst iat= 569, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 827,828,
&end
#
#  38  SER QB  54  ARG H
 &rst iat= -1,823, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER H  55  TRP HA
 &rst iat= 567,849, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER H  55  TRP HE3
 &rst iat= 567,866, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER H  55  TRP HZ3
 &rst iat= 567,864, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER HA  55  TRP H
 &rst iat= 569,847, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER HA  55  TRP HA
 &rst iat= 569,849, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER HA  55  TRP HE3
 &rst iat= 569,866, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER QB  55  TRP H
 &rst iat= -1,847, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER QB  55  TRP HA
 &rst iat= -1,849, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER QB  55  TRP HD1
 &rst iat= -1,855, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER QB  55  TRP HE1
 &rst iat= -1,857, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER QB  55  TRP HE3
 &rst iat= -1,866, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER QB  55  TRP HZ2
 &rst iat= -1,860, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER QB  55  TRP HZ3
 &rst iat= -1,864, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER H  56  TYR H
 &rst iat= 567,871, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER HA  56  TYR H
 &rst iat= 569,871, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  38  SER QB  56  TYR H
 &rst iat= -1,871, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 571,572,
&end
#
#  38  SER H  79  LEU QD
 &rst iat= 567, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  39  LYS H  39  LYS QG
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 585,586,
&end
#
#  39  LYS HA  39  LYS QD
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 588,589,
&end
#
#  39  LYS QB  39  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,
igr2= 588,589,
&end
#
#  39  LYS QB  39  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 582,583,
igr2= 591,592,
&end
#
#  39  LYS QG  39  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
igr2= 591,592,
&end
#
#  39  LYS H  40  LYS H
 &rst iat= 578,600, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  LYS HA  40  LYS H
 &rst iat= 580,600, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  LYS HA  40  LYS QB
 &rst iat= 580, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 604,605,
&end
#
#  39  LYS QG  40  LYS H
 &rst iat= -1,600, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
&end
#
#  39  LYS QG  40  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
igr2= 604,605,
&end
#
#  39  LYS QD  40  LYS H
 &rst iat= -1,600, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 588,589,
&end
#
#  39  LYS QE  40  LYS H
 &rst iat= -1,600, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 591,592,
&end
#
#  39  LYS H  41  MET QG
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 629,630,
&end
#
#  39  LYS QG  41  MET H
 &rst iat= -1,622, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
&end
#
#  39  LYS QG  41  MET QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
igr2= 626,627,
&end
#
#  39  LYS QG  41  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
igr2= 629,630,
&end
#
#  39  LYS QG  41  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
igr2= 633,634,635,
&end
#
#  39  LYS QE  41  MET QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 591,592,
igr2= 626,627,
&end
#
#  39  LYS QE  41  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 591,592,
igr2= 629,630,
&end
#
#  39  LYS QE  41  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.2416, r4= 5.9136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 591,592,
igr2= 633,634,635,
&end
#
#  39  LYS H  53  ASP HA
 &rst iat= 578,813, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  LYS H  53  ASP QB
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 815,816,
&end
#
#  39  LYS H  54  ARG H
 &rst iat= 578,823, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  LYS H  54  ARG HA
 &rst iat= 578,825, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  LYS H  54  ARG QB
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 827,828,
&end
#
#  39  LYS H  54  ARG QG
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 830,831,
&end
#
#  39  LYS HA  54  ARG H
 &rst iat= 580,823, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  LYS QG  54  ARG H
 &rst iat= -1,823, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
&end
#
#  39  LYS H  55  TRP H
 &rst iat= 578,847, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  LYS H  55  TRP HA
 &rst iat= 578,849, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  LYS H  56  TYR H
 &rst iat= 578,871, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  39  LYS H  56  TYR QD
 &rst iat= 578, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,888,
&end
#
#  39  LYS QG  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 585,586,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  39  LYS QD  68  LEU HA
 &rst iat= -1,1068, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 588,589,
&end
#
#  39  LYS QD  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 588,589,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  39  LYS QE  68  LEU HA
 &rst iat= -1,1068, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 591,592,
&end
#
#  39  LYS QE  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 591,592,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  39  LYS QE  69  GLY H
 &rst iat= -1,1085, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 591,592,
&end
#
#  40  LYS H  40  LYS QB
 &rst iat= 600, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 604,605,
&end
#
#  40  LYS H  40  LYS QD
 &rst iat= 600, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 610,611,
&end
#
#  40  LYS H  40  LYS QE
 &rst iat= 600, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 613,614,
&end
#
#  40  LYS QB  40  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.88864, r4= 4.51584,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,
igr2= 613,614,
&end
#
#  40  LYS QG  40  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 607,608,
igr2= 610,611,
&end
#
#  40  LYS QG  40  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 607,608,
igr2= 613,614,
&end
#
#  40  LYS H  41  MET H
 &rst iat= 600,622, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  LYS QB  41  MET H
 &rst iat= -1,622, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,
&end
#
#  40  LYS QB  41  MET HA
 &rst iat= -1,624, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,
&end
#
#  40  LYS QG  41  MET H
 &rst iat= -1,622, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 607,608,
&end
#
#  40  LYS QD  41  MET H
 &rst iat= -1,622, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 610,611,
&end
#
#  40  LYS QE  41  MET H
 &rst iat= -1,622, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 613,614,
&end
#
#  40  LYS QE  41  MET HA
 &rst iat= -1,624, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 613,614,
&end
#
#  40  LYS QB  51  MET QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,
igr2= 779,780,
&end
#
#  40  LYS QB  51  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 604,605,
igr2= 786,787,788,
&end
#
#  40  LYS QG  51  MET H
 &rst iat= -1,775, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 607,608,
&end
#
#  40  LYS QG  51  MET QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 607,608,
igr2= 779,780,
&end
#
#  40  LYS QG  51  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 607,608,
igr2= 782,783,
&end
#
#  40  LYS QD  51  MET QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 610,611,
igr2= 779,780,
&end
#
#  40  LYS QD  51  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 610,611,
igr2= 782,783,
&end
#
#  40  LYS QD  51  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.4352,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 610,611,
igr2= 786,787,788,
&end
#
#  40  LYS QE  51  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 613,614,
igr2= 786,787,788,
&end
#
#  40  LYS QG  52  ILE H
 &rst iat= -1,792, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 607,608,
&end
#
#  40  LYS QD  52  ILE H
 &rst iat= -1,792, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 610,611,
&end
#
#  40  LYS H  53  ASP HA
 &rst iat= 600,813, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  40  LYS QG  53  ASP HA
 &rst iat= -1,813, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 607,608,
&end
#
#  40  LYS H  54  ARG H
 &rst iat= 600,823, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET H  41  MET QB
 &rst iat= 622, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 626,627,
&end
#
#  41  MET H  41  MET QG
 &rst iat= 622, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 629,630,
&end
#
#  41  MET QG  41  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 629,630,
igr2= 633,634,635,
&end
#
#  41  MET H  42  VAL H
 &rst iat= 622,639, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET H  42  VAL HA
 &rst iat= 622,641, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET HA  42  VAL H
 &rst iat= 624,639, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET HA  42  VAL HA
 &rst iat= 624,641, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET HA  42  VAL HB
 &rst iat= 624,643, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET HA  42  VAL QG
 &rst iat= 624, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 645,646,647,649,650,651,
&end
#
#  41  MET QB  42  VAL H
 &rst iat= -1,639, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 626,627,
&end
#
#  41  MET QG  42  VAL H
 &rst iat= -1,639, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 629,630,
&end
#
#  41  MET QG  42  VAL HA
 &rst iat= -1,641, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 629,630,
&end
#
#  41  MET QG  43  ASP H
 &rst iat= -1,655, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 629,630,
&end
#
#  41  MET QE  43  ASP HA
 &rst iat= -1,657, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 633,634,635,
&end
#
#  41  MET QE  44  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 633,634,635,
igr2= 668,669,
&end
#
#  41  MET H  51  MET HA
 &rst iat= 622,777, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET H  51  MET QE
 &rst iat= 622, -1, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,788,
&end
#
#  41  MET HA  51  MET HA
 &rst iat= 624,777, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET HA  51  MET QG
 &rst iat= 624, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 782,783,
&end
#
#  41  MET HA  51  MET QE
 &rst iat= 624, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,788,
&end
#
#  41  MET H  52  ILE H
 &rst iat= 622,792, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET H  52  ILE HA
 &rst iat= 622,794, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET H  52  ILE QG1
 &rst iat= 622, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 802,803,
&end
#
#  41  MET H  52  ILE QD1
 &rst iat= 622, -1, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 805,806,807,
&end
#
#  41  MET HA  52  ILE H
 &rst iat= 624,792, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET QG  52  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 629,630,
igr2= 805,806,807,
&end
#
#  41  MET QE  52  ILE H
 &rst iat= -1,792, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 633,634,635,
&end
#
#  41  MET QE  52  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2, r4= 7.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 633,634,635,
igr2= 805,806,807,
&end
#
#  41  MET H  53  ASP H
 &rst iat= 622,811, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET H  53  ASP HA
 &rst iat= 622,813, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET H  54  ARG H
 &rst iat= 622,823, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  41  MET H  54  ARG QB
 &rst iat= 622, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 827,828,
&end
#
#  41  MET H  54  ARG QD
 &rst iat= 622, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 833,834,
&end
#
#  41  MET QG  54  ARG H
 &rst iat= -1,823, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 629,630,
&end
#
#  41  MET QG  54  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 629,630,
igr2= 827,828,
&end
#
#  41  MET QG  54  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 629,630,
igr2= 833,834,
&end
#
#  41  MET QE  54  ARG QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 633,634,635,
igr2= 827,828,
&end
#
#  41  MET QE  54  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 633,634,635,
igr2= 830,831,
&end
#
#  41  MET QE  54  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9728, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 633,634,635,
igr2= 833,834,
&end
#
#  42  VAL H  42  VAL HB
 &rst iat= 639,643, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL H  42  VAL QG
 &rst iat= 639, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 645,646,647,649,650,651,
&end
#
#  42  VAL HA  42  VAL QG
 &rst iat= 641, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 645,646,647,649,650,651,
&end
#
#  42  VAL H  43  ASP H
 &rst iat= 639,655, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL HA  43  ASP H
 &rst iat= 641,655, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL HA  43  ASP HA
 &rst iat= 641,657, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL HA  43  ASP QB
 &rst iat= 641, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 659,660,
&end
#
#  42  VAL HB  43  ASP H
 &rst iat= 643,655, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL QG  43  ASP H
 &rst iat= -1,655, r1= 0, r2= 0, r3= 4.455, r4= 5.13,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
&end
#
#  42  VAL QG  43  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
igr2= 659,660,
&end
#
#  42  VAL QG  44  PRO HA
 &rst iat= -1,677, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
&end
#
#  42  VAL QG  46  LYS H
 &rst iat= -1,696, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
&end
#
#  42  VAL HB  47  PRO QB
 &rst iat= 643, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 725,726,
&end
#
#  42  VAL QG  47  PRO HA
 &rst iat= -1,728, r1= 0, r2= 0, r3= 4.05, r4= 4.725,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
&end
#
#  42  VAL QG  47  PRO QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.9896, r4= 5.7456,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
igr2= 725,726,
&end
#
#  42  VAL QG  47  PRO QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
igr2= 722,723,
&end
#
#  42  VAL QG  47  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
igr2= 719,720,
&end
#
#  42  VAL QG  48  GLN H
 &rst iat= -1,732, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
&end
#
#  42  VAL QG  49  LEU H
 &rst iat= -1,749, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
&end
#
#  42  VAL HA  50  GLY H
 &rst iat= 641,768, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL QG  50  GLY H
 &rst iat= -1,768, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
&end
#
#  42  VAL QG  50  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
igr2= 770,771,
&end
#
#  42  VAL H  51  MET H
 &rst iat= 639,775, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL H  51  MET HA
 &rst iat= 639,777, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL H  51  MET QG
 &rst iat= 639, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 782,783,
&end
#
#  42  VAL H  51  MET QE
 &rst iat= 639, -1, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,788,
&end
#
#  42  VAL HA  51  MET HA
 &rst iat= 641,777, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL HA  51  MET QG
 &rst iat= 641, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 782,783,
&end
#
#  42  VAL HA  51  MET QE
 &rst iat= 641, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,788,
&end
#
#  42  VAL QG  51  MET H
 &rst iat= -1,775, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
&end
#
#  42  VAL QG  51  MET HA
 &rst iat= -1,777, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
&end
#
#  42  VAL QG  51  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
igr2= 782,783,
&end
#
#  42  VAL QG  51  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.698, r4= 5.508,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 645,646,647,649,650,651,
igr2= 786,787,788,
&end
#
#  42  VAL H  52  ILE H
 &rst iat= 639,792, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL HA  52  ILE H
 &rst iat= 641,792, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  42  VAL HA  52  ILE QG1
 &rst iat= 641, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 802,803,
&end
#
#  42  VAL HA  52  ILE QG2
 &rst iat= 641, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 798,799,800,
&end
#
#  43  ASP H  43  ASP QB
 &rst iat= 655, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 659,660,
&end
#
#  43  ASP H  44  PRO QD
 &rst iat= 655, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,
&end
#
#  43  ASP HA  44  PRO HA
 &rst iat= 657,677, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP HA  44  PRO QG
 &rst iat= 657, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 671,672,
&end
#
#  43  ASP HA  44  PRO QD
 &rst iat= 657, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 668,669,
&end
#
#  43  ASP QB  44  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
igr2= 668,669,
&end
#
#  43  ASP H  45  GLU H
 &rst iat= 655,681, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP HA  45  GLU H
 &rst iat= 657,681, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP QB  45  GLU H
 &rst iat= -1,681, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
&end
#
#  43  ASP H  46  LYS H
 &rst iat= 655,696, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP QB  46  LYS H
 &rst iat= -1,696, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
&end
#
#  43  ASP QB  46  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
igr2= 700,701,
&end
#
#  43  ASP QB  46  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
igr2= 703,704,
&end
#
#  43  ASP H  47  PRO HA
 &rst iat= 655,728, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP H  49  LEU H
 &rst iat= 655,749, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP H  49  LEU QD
 &rst iat= 655, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 758,759,760,762,763,764,
&end
#
#  43  ASP QB  49  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
igr2= 758,759,760,762,763,764,
&end
#
#  43  ASP H  50  GLY H
 &rst iat= 655,768, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP QB  50  GLY H
 &rst iat= -1,768, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
&end
#
#  43  ASP H  51  MET H
 &rst iat= 655,775, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP H  51  MET HA
 &rst iat= 655,777, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP H  52  ILE H
 &rst iat= 655,792, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  43  ASP H  52  ILE QG1
 &rst iat= 655, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 802,803,
&end
#
#  43  ASP H  52  ILE QG2
 &rst iat= 655, -1, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 798,799,800,
&end
#
#  43  ASP H  52  ILE QD1
 &rst iat= 655, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 805,806,807,
&end
#
#  43  ASP HA  52  ILE QD1
 &rst iat= 657, -1, r1= 0, r2= 0, r3= 5.52, r4= 6.12,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 805,806,807,
&end
#
#  43  ASP QB  52  ILE H
 &rst iat= -1,792, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
&end
#
#  43  ASP QB  52  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
igr2= 802,803,
&end
#
#  43  ASP QB  52  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
igr2= 798,799,800,
&end
#
#  43  ASP QB  52  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 659,660,
igr2= 805,806,807,
&end
#
#  44  PRO QB  45  GLU H
 &rst iat= -1,681, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 674,675,
&end
#
#  44  PRO QB  45  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 674,675,
igr2= 688,689,
&end
#
#  44  PRO QG  45  GLU H
 &rst iat= -1,681, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 671,672,
&end
#
#  44  PRO QG  45  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 671,672,
igr2= 688,689,
&end
#
#  44  PRO QD  45  GLU H
 &rst iat= -1,681, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,
&end
#
#  44  PRO QD  45  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,
igr2= 685,686,
&end
#
#  44  PRO QD  45  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,
igr2= 688,689,
&end
#
#  44  PRO HA  46  LYS H
 &rst iat= 677,696, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  44  PRO QB  46  LYS H
 &rst iat= -1,696, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 674,675,
&end
#
#  44  PRO QD  46  LYS H
 &rst iat= -1,696, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,
&end
#
#  44  PRO HA  47  PRO QB
 &rst iat= 677, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 725,726,
&end
#
#  44  PRO HA  47  PRO QD
 &rst iat= 677, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  44  PRO QD  52  ILE QD1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 668,669,
igr2= 805,806,807,
&end
#
#  45  GLU H  45  GLU QB
 &rst iat= 681, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 685,686,
&end
#
#  45  GLU H  45  GLU QG
 &rst iat= 681, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 688,689,
&end
#
#  45  GLU HA  45  GLU QG
 &rst iat= 683, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 688,689,
&end
#
#  45  GLU QB  45  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 685,686,
igr2= 688,689,
&end
#
#  45  GLU H  46  LYS H
 &rst iat= 681,696, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  GLU H  46  LYS HA
 &rst iat= 681,698, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  GLU H  46  LYS QG
 &rst iat= 681, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 703,704,
&end
#
#  45  GLU HA  46  LYS HA
 &rst iat= 683,698, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  45  GLU HA  46  LYS QG
 &rst iat= 683, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 703,704,
&end
#
#  45  GLU QB  46  LYS H
 &rst iat= -1,696, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 685,686,
&end
#
#  45  GLU QB  46  LYS HA
 &rst iat= -1,698, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 685,686,
&end
#
#  45  GLU QB  46  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 685,686,
igr2= 703,704,
&end
#
#  45  GLU QG  46  LYS H
 &rst iat= -1,696, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 688,689,
&end
#
#  45  GLU QG  46  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 688,689,
igr2= 703,704,
&end
#
#  45  GLU H  47  PRO QD
 &rst iat= 681, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  45  GLU HA  47  PRO QD
 &rst iat= 683, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  46  LYS H  46  LYS QB
 &rst iat= 696, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 700,701,
&end
#
#  46  LYS H  46  LYS QG
 &rst iat= 696, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 703,704,
&end
#
#  46  LYS H  46  LYS QD
 &rst iat= 696, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 706,707,
&end
#
#  46  LYS H  46  LYS QE
 &rst iat= 696, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 709,710,
&end
#
#  46  LYS HA  46  LYS QG
 &rst iat= 698, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 703,704,
&end
#
#  46  LYS QB  46  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 700,701,
igr2= 703,704,
&end
#
#  46  LYS QB  46  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 700,701,
igr2= 709,710,
&end
#
#  46  LYS QG  46  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 703,704,
igr2= 709,710,
&end
#
#  46  LYS H  47  PRO HA
 &rst iat= 696,728, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  LYS H  47  PRO QG
 &rst iat= 696, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 722,723,
&end
#
#  46  LYS H  47  PRO QD
 &rst iat= 696, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  46  LYS HA  47  PRO QD
 &rst iat= 698, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 719,720,
&end
#
#  46  LYS QB  47  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 700,701,
igr2= 719,720,
&end
#
#  46  LYS QG  47  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 703,704,
igr2= 719,720,
&end
#
#  46  LYS H  48  GLN H
 &rst iat= 696,732, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  LYS HA  48  GLN H
 &rst iat= 698,732, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  LYS QB  48  GLN H
 &rst iat= -1,732, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 700,701,
&end
#
#  46  LYS H  49  LEU QD
 &rst iat= 696, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 758,759,760,762,763,764,
&end
#
#  46  LYS HA  49  LEU H
 &rst iat= 698,749, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  46  LYS HA  49  LEU QD
 &rst iat= 698, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 758,759,760,762,763,764,
&end
#
#  46  LYS QB  49  LEU H
 &rst iat= -1,749, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 700,701,
&end
#
#  46  LYS QB  49  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 700,701,
igr2= 758,759,760,762,763,764,
&end
#
#  46  LYS QG  49  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 703,704,
igr2= 758,759,760,762,763,764,
&end
#
#  46  LYS QD  49  LEU H
 &rst iat= -1,749, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 706,707,
&end
#
#  46  LYS QD  49  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 706,707,
igr2= 758,759,760,762,763,764,
&end
#
#  46  LYS QE  49  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 709,710,
igr2= 758,759,760,762,763,764,
&end
#
#  46  LYS QB  50  GLY H
 &rst iat= -1,768, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 700,701,
&end
#
#  47  PRO QB  48  GLN H
 &rst iat= -1,732, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 725,726,
&end
#
#  47  PRO QG  48  GLN H
 &rst iat= -1,732, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 722,723,
&end
#
#  47  PRO QD  48  GLN H
 &rst iat= -1,732, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 719,720,
&end
#
#  47  PRO HA  49  LEU H
 &rst iat= 728,749, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  47  PRO HA  50  GLY H
 &rst iat= 728,768, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  GLN H  48  GLN QB
 &rst iat= 732, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 736,737,
&end
#
#  48  GLN HA  48  GLN QG
 &rst iat= 734, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 739,740,
&end
#
#  48  GLN H  49  LEU H
 &rst iat= 732,749, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  GLN H  49  LEU QD
 &rst iat= 732, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 758,759,760,762,763,764,
&end
#
#  48  GLN QB  49  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9552, r4= 7.7112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 736,737,
igr2= 758,759,760,762,763,764,
&end
#
#  48  GLN H  50  GLY H
 &rst iat= 732,768, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  48  GLN HA  50  GLY H
 &rst iat= 734,768, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  LEU H  49  LEU QB
 &rst iat= 749, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 753,754,
&end
#
#  49  LEU H  49  LEU HG
 &rst iat= 749,756, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  LEU H  49  LEU QD
 &rst iat= 749, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 758,759,760,762,763,764,
&end
#
#  49  LEU HA  49  LEU QD
 &rst iat= 751, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 758,759,760,762,763,764,
&end
#
#  49  LEU QB  49  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 753,754,
igr2= 758,759,760,762,763,764,
&end
#
#  49  LEU H  50  GLY H
 &rst iat= 749,768, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  49  LEU H  50  GLY QA
 &rst iat= 749, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 770,771,
&end
#
#  49  LEU HA  50  GLY QA
 &rst iat= 751, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 770,771,
&end
#
#  49  LEU QB  50  GLY H
 &rst iat= -1,768, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 753,754,
&end
#
#  49  LEU QD  50  GLY H
 &rst iat= -1,768, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 758,759,760,762,763,764,
&end
#
#  49  LEU QD  51  MET H
 &rst iat= -1,775, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 758,759,760,762,763,764,
&end
#
#  49  LEU H  52  ILE QG2
 &rst iat= 749, -1, r1= 0, r2= 0, r3= 6.36, r4= 6.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 798,799,800,
&end
#
#  49  LEU QB  52  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 753,754,
igr2= 798,799,800,
&end
#
#  49  LEU QD  52  ILE QG2
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.374, r4= 5.184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 758,759,760,762,763,764,
igr2= 798,799,800,
&end
#
#  50  GLY H  51  MET H
 &rst iat= 768,775, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  50  GLY QA  51  MET H
 &rst iat= -1,775, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 770,771,
&end
#
#  50  GLY QA  51  MET QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 770,771,
igr2= 779,780,
&end
#
#  50  GLY QA  51  MET QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 770,771,
igr2= 782,783,
&end
#
#  51  MET H  51  MET QB
 &rst iat= 775, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 779,780,
&end
#
#  51  MET H  51  MET QG
 &rst iat= 775, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 782,783,
&end
#
#  51  MET HA  51  MET QG
 &rst iat= 777, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 782,783,
&end
#
#  51  MET HA  51  MET QE
 &rst iat= 777, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 786,787,788,
&end
#
#  51  MET QB  51  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,
igr2= 786,787,788,
&end
#
#  51  MET QG  51  MET QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3008, r4= 4.9728,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 782,783,
igr2= 786,787,788,
&end
#
#  51  MET H  52  ILE H
 &rst iat= 775,792, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  MET H  52  ILE HA
 &rst iat= 775,794, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  MET HA  52  ILE H
 &rst iat= 777,792, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  MET HA  52  ILE HA
 &rst iat= 777,794, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  51  MET HA  52  ILE QG1
 &rst iat= 777, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 802,803,
&end
#
#  51  MET HA  52  ILE QG2
 &rst iat= 777, -1, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 798,799,800,
&end
#
#  51  MET QB  52  ILE H
 &rst iat= -1,792, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 779,780,
&end
#
#  51  MET QG  52  ILE H
 &rst iat= -1,792, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 782,783,
&end
#
#  52  ILE H  52  ILE HB
 &rst iat= 792,796, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  ILE H  52  ILE QG1
 &rst iat= 792, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 802,803,
&end
#
#  52  ILE H  52  ILE QG2
 &rst iat= 792, -1, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 798,799,800,
&end
#
#  52  ILE H  52  ILE QD1
 &rst iat= 792, -1, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 805,806,807,
&end
#
#  52  ILE HA  52  ILE QG1
 &rst iat= 794, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 802,803,
&end
#
#  52  ILE HA  52  ILE QG2
 &rst iat= 794, -1, r1= 0, r2= 0, r3= 3.48, r4= 4.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 798,799,800,
&end
#
#  52  ILE HB  52  ILE QD1
 &rst iat= 796, -1, r1= 0, r2= 0, r3= 3.48, r4= 4.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 805,806,807,
&end
#
#  52  ILE QG2  52  ILE QG1
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 798,799,800,
igr2= 802,803,
&end
#
#  52  ILE H  53  ASP H
 &rst iat= 792,811, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  ILE HA  53  ASP H
 &rst iat= 794,811, r1= 0, r2= 0, r3= 2.9, r4= 3.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  ILE HA  53  ASP HA
 &rst iat= 794,813, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  ILE HA  53  ASP QB
 &rst iat= 794, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 815,816,
&end
#
#  52  ILE HB  53  ASP H
 &rst iat= 796,811, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  ILE QG1  53  ASP H
 &rst iat= -1,811, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 802,803,
&end
#
#  52  ILE QG2  53  ASP H
 &rst iat= -1,811, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 798,799,800,
&end
#
#  52  ILE QD1  53  ASP H
 &rst iat= -1,811, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 805,806,807,
&end
#
#  52  ILE HA  54  ARG H
 &rst iat= 794,823, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  52  ILE QG1  54  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 802,803,
igr2= 833,834,
&end
#
#  52  ILE QG2  54  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 798,799,800,
igr2= 833,834,
&end
#
#  52  ILE QD1  54  ARG H
 &rst iat= -1,823, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 805,806,807,
&end
#
#  52  ILE QD1  54  ARG QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 805,806,807,
igr2= 830,831,
&end
#
#  52  ILE QD1  54  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 805,806,807,
igr2= 833,834,
&end
#
#  52  ILE QD1  55  TRP H
 &rst iat= -1,847, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 805,806,807,
&end
#
#  53  ASP H  53  ASP QB
 &rst iat= 811, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 815,816,
&end
#
#  53  ASP H  54  ARG H
 &rst iat= 811,823, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ASP HA  54  ARG H
 &rst iat= 813,823, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  53  ASP QB  54  ARG H
 &rst iat= -1,823, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 815,816,
&end
#
#  53  ASP QB  55  TRP HD1
 &rst iat= -1,855, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 815,816,
&end
#
#  53  ASP QB  55  TRP HE1
 &rst iat= -1,857, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 815,816,
&end
#
#  53  ASP QB  55  TRP HZ2
 &rst iat= -1,860, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 815,816,
&end
#
#  54  ARG H  54  ARG QB
 &rst iat= 823, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 827,828,
&end
#
#  54  ARG H  54  ARG QG
 &rst iat= 823, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 830,831,
&end
#
#  54  ARG H  54  ARG QD
 &rst iat= 823, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 833,834,
&end
#
#  54  ARG HA  54  ARG QG
 &rst iat= 825, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 830,831,
&end
#
#  54  ARG HA  54  ARG QD
 &rst iat= 825, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 833,834,
&end
#
#  54  ARG QB  54  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.01408, r4= 4.64128,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 827,828,
igr2= 833,834,
&end
#
#  54  ARG H  55  TRP HA
 &rst iat= 823,849, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ARG HA  55  TRP H
 &rst iat= 825,847, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ARG HA  55  TRP HA
 &rst iat= 825,849, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ARG HA  55  TRP QB
 &rst iat= 825, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 851,852,
&end
#
#  54  ARG HA  55  TRP HD1
 &rst iat= 825,855, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  54  ARG QB  55  TRP H
 &rst iat= -1,847, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 827,828,
&end
#
#  54  ARG QG  55  TRP H
 &rst iat= -1,847, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 830,831,
&end
#
#  54  ARG HA  56  TYR QE
 &rst iat= 825, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 881,886,
&end
#
#  54  ARG QB  56  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 827,828,
igr2= 881,886,
&end
#
#  54  ARG QG  56  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 830,831,
igr2= 881,886,
&end
#
#  54  ARG QD  56  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 833,834,
igr2= 881,886,
&end
#
#  55  TRP H  55  TRP HD1
 &rst iat= 847,855, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  TRP H  55  TRP HE1
 &rst iat= 847,857, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  TRP HA  55  TRP HD1
 &rst iat= 849,855, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  TRP HA  55  TRP HE1
 &rst iat= 849,857, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  TRP HA  55  TRP HE3
 &rst iat= 849,866, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  TRP QB  55  TRP HE1
 &rst iat= -1,857, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 851,852,
&end
#
#  55  TRP QB  55  TRP HZ3
 &rst iat= -1,864, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 851,852,
&end
#
#  55  TRP H  56  TYR H
 &rst iat= 847,871, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  TRP H  56  TYR QE
 &rst iat= 847, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 881,886,
&end
#
#  55  TRP HA  56  TYR QD
 &rst iat= 849, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,888,
&end
#
#  55  TRP QB  56  TYR H
 &rst iat= -1,871, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 851,852,
&end
#
#  55  TRP HE3  56  TYR H
 &rst iat= 866,871, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  55  TRP HZ3  56  TYR H
 &rst iat= 864,871, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  TYR H  56  TYR QD
 &rst iat= 871, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,888,
&end
#
#  56  TYR HA  56  TYR QD
 &rst iat= 873, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 879,888,
&end
#
#  56  TYR HA  56  TYR QE
 &rst iat= 873, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 881,886,
&end
#
#  56  TYR H  57  HIS H
 &rst iat= 871,892, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  TYR HA  57  HIS H
 &rst iat= 873,892, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  TYR HA  57  HIS QB
 &rst iat= 873, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 896,897,
&end
#
#  56  TYR QB  57  HIS H
 &rst iat= -1,892, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,876,
&end
#
#  56  TYR QD  57  HIS H
 &rst iat= -1,892, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 879,888,
&end
#
#  56  TYR HA  60  CYS QB
 &rst iat= 873, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 935,934,
&end
#
#  56  TYR QB  60  CYS H
 &rst iat= -1,930, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,876,
&end
#
#  56  TYR HA  61  PHE H
 &rst iat= 873,940, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  56  TYR QB  61  PHE H
 &rst iat= -1,940, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,876,
&end
#
#  56  TYR QB  61  PHE HA
 &rst iat= -1,942, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,876,
&end
#
#  56  TYR QB  61  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.0176, r4= 5.6448,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,876,
igr2= 944,945,
&end
#
#  56  TYR QB  61  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,876,
igr2= 948,956,
&end
#
#  56  TYR QD  61  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 879,888,
igr2= 944,945,
&end
#
#  56  TYR QB  62  VAL H
 &rst iat= -1,960, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 875,876,
&end
#
#  56  TYR QD  64  ASN 2HD2
 &rst iat= -1,1008, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 879,888,
&end
#
#  56  TYR QD  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 879,888,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  56  TYR QE  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 881,886,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  57  HIS H  57  HIS QB
 &rst iat= 892, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 896,897,
&end
#
#  57  HIS H  57  HIS HD2
 &rst iat= 892,905, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS HA  57  HIS HD2
 &rst iat= 894,905, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS HA  57  HIS HE1
 &rst iat= 894,901, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS H  58  PRO QD
 &rst iat= 892, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 910,911,
&end
#
#  57  HIS HA  58  PRO QG
 &rst iat= 894, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 913,914,
&end
#
#  57  HIS HA  58  PRO QD
 &rst iat= 894, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 910,911,
&end
#
#  57  HIS QB  58  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 896,897,
igr2= 910,911,
&end
#
#  57  HIS HD2  58  PRO QG
 &rst iat= 905, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 913,914,
&end
#
#  57  HIS HD2  58  PRO QD
 &rst iat= 905, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 910,911,
&end
#
#  57  HIS H  59  GLY H
 &rst iat= 892,923, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS HA  59  GLY H
 &rst iat= 894,923, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS QB  59  GLY H
 &rst iat= -1,923, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 896,897,
&end
#
#  57  HIS HD2  59  GLY H
 &rst iat= 905,923, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS H  60  CYS H
 &rst iat= 892,930, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS H  60  CYS HA
 &rst iat= 892,932, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS H  60  CYS QB
 &rst iat= 892, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 935,934,
&end
#
#  57  HIS HA  60  CYS H
 &rst iat= 894,930, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS QB  60  CYS H
 &rst iat= -1,930, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 896,897,
&end
#
#  57  HIS QB  60  CYS HA
 &rst iat= -1,932, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 896,897,
&end
#
#  57  HIS QB  60  CYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 896,897,
igr2= 935,934,
&end
#
#  57  HIS H  61  PHE H
 &rst iat= 892,940, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS H  61  PHE QB
 &rst iat= 892, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,
&end
#
#  57  HIS H  61  PHE QD
 &rst iat= 892, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 948,956,
&end
#
#  57  HIS HA  61  PHE H
 &rst iat= 894,940, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  57  HIS QB  61  PHE H
 &rst iat= -1,940, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 896,897,
&end
#
#  58  PRO QB  59  GLY H
 &rst iat= -1,923, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 916,917,
&end
#
#  58  PRO QG  59  GLY H
 &rst iat= -1,923, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 913,914,
&end
#
#  58  PRO QD  59  GLY H
 &rst iat= -1,923, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 910,911,
&end
#
#  58  PRO HA  60  CYS H
 &rst iat= 919,930, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  PRO QB  60  CYS H
 &rst iat= -1,930, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 916,917,
&end
#
#  58  PRO QD  60  CYS H
 &rst iat= -1,930, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 910,911,
&end
#
#  58  PRO HA  61  PHE H
 &rst iat= 919,940, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  PRO HA  61  PHE QB
 &rst iat= 919, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,
&end
#
#  58  PRO HA  61  PHE QD
 &rst iat= 919, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 948,956,
&end
#
#  58  PRO HA  61  PHE QE
 &rst iat= 919, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 950,954,
&end
#
#  58  PRO HA  62  VAL H
 &rst iat= 919,960, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  58  PRO HA  62  VAL QG
 &rst iat= 919, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 966,967,968,970,971,972,
&end
#
#  58  PRO HA  93  LEU QD
 &rst iat= 919, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  58  PRO QB  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 916,917,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  58  PRO QG  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 913,914,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  59  GLY H  60  CYS H
 &rst iat= 923,930, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  GLY H  60  CYS HA
 &rst iat= 923,932, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  GLY H  61  PHE H
 &rst iat= 923,940, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  GLY H  61  PHE QB
 &rst iat= 923, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,
&end
#
#  59  GLY H  61  PHE QE
 &rst iat= 923, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 950,954,
&end
#
#  59  GLY QA  61  PHE H
 &rst iat= -1,940, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 925,926,
&end
#
#  59  GLY QA  61  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 925,926,
igr2= 950,954,
&end
#
#  59  GLY H  62  VAL H
 &rst iat= 923,960, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  59  GLY H  62  VAL QG
 &rst iat= 923, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 966,967,968,970,971,972,
&end
#
#  59  GLY QA  62  VAL H
 &rst iat= -1,960, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 925,926,
&end
#
#  59  GLY QA  62  VAL HB
 &rst iat= -1,964, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 925,926,
&end
#
#  59  GLY QA  62  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 925,926,
igr2= 966,967,968,970,971,972,
&end
#
#  59  GLY QA  63  LYS H
 &rst iat= -1,976, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 925,926,
&end
#
#  60  CYS H  60  CYS QB
 &rst iat= 930, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 935,934,
&end
#
#  60  CYS H  61  PHE H
 &rst iat= 930,940, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  CYS H  61  PHE QB
 &rst iat= 930, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 944,945,
&end
#
#  60  CYS H  61  PHE QD
 &rst iat= 930, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 948,956,
&end
#
#  60  CYS HA  61  PHE QD
 &rst iat= 932, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 948,956,
&end
#
#  60  CYS QB  61  PHE H
 &rst iat= -1,940, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 935,934,
&end
#
#  60  CYS QB  61  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 935,934,
igr2= 948,956,
&end
#
#  60  CYS H  62  VAL H
 &rst iat= 930,960, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  CYS H  62  VAL QG
 &rst iat= 930, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 966,967,968,970,971,972,
&end
#
#  60  CYS HA  62  VAL H
 &rst iat= 932,960, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  CYS H  63  LYS H
 &rst iat= 930,976, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  CYS H  63  LYS QB
 &rst iat= 930, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 980,981,
&end
#
#  60  CYS HA  63  LYS H
 &rst iat= 932,976, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  CYS HA  63  LYS QB
 &rst iat= 932, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 980,981,
&end
#
#  60  CYS HA  63  LYS QE
 &rst iat= 932, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 989,990,
&end
#
#  60  CYS QB  63  LYS H
 &rst iat= -1,976, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 935,934,
&end
#
#  60  CYS QB  63  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 935,934,
igr2= 980,981,
&end
#
#  60  CYS HA  64  ASN H
 &rst iat= 932,998, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  CYS HA  64  ASN 2HD2
 &rst iat= 932,1008, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  60  CYS QB  64  ASN 1HD2
 &rst iat= -1,1007, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 935,934,
&end
#
#  60  CYS QB  64  ASN 2HD2
 &rst iat= -1,1008, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 935,934,
&end
#
#  61  PHE H  61  PHE QD
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 948,956,
&end
#
#  61  PHE HA  61  PHE QD
 &rst iat= 942, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 948,956,
&end
#
#  61  PHE QB  61  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,
igr2= 950,954,
&end
#
#  61  PHE QD  61  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.13952, r4= 4.76672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
igr2= 950,954,
&end
#
#  61  PHE H  62  VAL H
 &rst iat= 940,960, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  PHE H  62  VAL QG
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 966,967,968,970,971,972,
&end
#
#  61  PHE HA  62  VAL QG
 &rst iat= 942, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 966,967,968,970,971,972,
&end
#
#  61  PHE QB  62  VAL H
 &rst iat= -1,960, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,
&end
#
#  61  PHE QB  62  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.7112, r4= 8.4672,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,
igr2= 966,967,968,970,971,972,
&end
#
#  61  PHE QD  62  VAL H
 &rst iat= -1,960, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
&end
#
#  61  PHE QD  62  VAL HA
 &rst iat= -1,962, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
&end
#
#  61  PHE QD  62  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
igr2= 966,967,968,970,971,972,
&end
#
#  61  PHE QE  62  VAL H
 &rst iat= -1,960, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 950,954,
&end
#
#  61  PHE QE  62  VAL HA
 &rst iat= -1,962, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 950,954,
&end
#
#  61  PHE H  63  LYS H
 &rst iat= 940,976, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  PHE H  63  LYS QB
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 980,981,
&end
#
#  61  PHE HA  63  LYS QB
 &rst iat= 942, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 980,981,
&end
#
#  61  PHE QD  63  LYS H
 &rst iat= -1,976, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
&end
#
#  61  PHE H  64  ASN H
 &rst iat= 940,998, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  PHE H  64  ASN 2HD2
 &rst iat= 940,1008, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  PHE HA  64  ASN H
 &rst iat= 942,998, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  PHE HA  64  ASN 1HD2
 &rst iat= 942,1007, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  PHE HA  64  ASN 2HD2
 &rst iat= 942,1008, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  61  PHE QD  64  ASN 1HD2
 &rst iat= -1,1007, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
&end
#
#  61  PHE QD  65  ARG H
 &rst iat= -1,1012, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
&end
#
#  61  PHE H  68  LEU QD
 &rst iat= 940, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  61  PHE QB  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 944,945,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  61  PHE QD  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  61  PHE QD  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.56, r4= 8.316,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  61  PHE QD  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 948,956,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  61  PHE QE  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 950,954,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  62  VAL H  62  VAL HB
 &rst iat= 960,964, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  VAL H  62  VAL QG
 &rst iat= 960, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 966,967,968,970,971,972,
&end
#
#  62  VAL HA  62  VAL QG
 &rst iat= 962, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 966,967,968,970,971,972,
&end
#
#  62  VAL H  63  LYS H
 &rst iat= 960,976, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  VAL HA  63  LYS HA
 &rst iat= 962,978, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  VAL HB  63  LYS H
 &rst iat= 964,976, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  VAL QG  63  LYS H
 &rst iat= -1,976, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
&end
#
#  62  VAL QG  63  LYS HA
 &rst iat= -1,978, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
&end
#
#  62  VAL QG  63  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
igr2= 980,981,
&end
#
#  62  VAL H  64  ASN H
 &rst iat= 960,998, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  VAL QG  64  ASN H
 &rst iat= -1,998, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
&end
#
#  62  VAL HA  65  ARG H
 &rst iat= 962,1012, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  62  VAL HA  65  ARG QB
 &rst iat= 962, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1016,1017,
&end
#
#  62  VAL QG  65  ARG H
 &rst iat= -1,1012, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
&end
#
#  62  VAL H  68  LEU QD
 &rst iat= 960, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  62  VAL QG  96  GLN H
 &rst iat= -1,1513, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
&end
#
#  62  VAL QG  96  GLN HA
 &rst iat= -1,1515, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
&end
#
#  62  VAL QG  96  GLN QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1408, r4= 5.8968,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
igr2= 1517,1518,
&end
#
#  62  VAL H  97  LEU QD
 &rst iat= 960, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  62  VAL HA  97  LEU QB
 &rst iat= 962, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1534,1535,
&end
#
#  62  VAL HA  97  LEU QD
 &rst iat= 962, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  62  VAL QG  97  LEU H
 &rst iat= -1,1530, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
&end
#
#  62  VAL QG  97  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
igr2= 1534,1535,
&end
#
#  62  VAL QG  97  LEU HG
 &rst iat= -1,1537, r1= 0, r2= 0, r3= 5.805, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
&end
#
#  62  VAL QG  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.37875, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 966,967,968,970,971,972,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  63  LYS H  63  LYS QB
 &rst iat= 976, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 980,981,
&end
#
#  63  LYS H  63  LYS QE
 &rst iat= 976, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 989,990,
&end
#
#  63  LYS QB  63  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.64128, r4= 5.26848,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 980,981,
igr2= 989,990,
&end
#
#  63  LYS H  64  ASN H
 &rst iat= 976,998, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  LYS H  64  ASN HA
 &rst iat= 976,1000, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  LYS HA  64  ASN HA
 &rst iat= 978,1000, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  LYS QB  64  ASN H
 &rst iat= -1,998, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 980,981,
&end
#
#  63  LYS QB  64  ASN 2HD2
 &rst iat= -1,1008, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 980,981,
&end
#
#  63  LYS QE  64  ASN H
 &rst iat= -1,998, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,
&end
#
#  63  LYS QE  64  ASN 2HD2
 &rst iat= -1,1008, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 989,990,
&end
#
#  63  LYS H  65  ARG H
 &rst iat= 976,1012, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  LYS H  65  ARG QB
 &rst iat= 976, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1016,1017,
&end
#
#  63  LYS HA  65  ARG H
 &rst iat= 978,1012, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  63  LYS H  68  LEU QD
 &rst iat= 976, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  64  ASN H  64  ASN QB
 &rst iat= 998, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1002,1003,
&end
#
#  64  ASN H  64  ASN 1HD2
 &rst iat= 998,1007, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN H  64  ASN 2HD2
 &rst iat= 998,1008, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN HA  64  ASN 1HD2
 &rst iat= 1000,1007, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN HA  64  ASN 2HD2
 &rst iat= 1000,1008, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN H  65  ARG QB
 &rst iat= 998, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1016,1017,
&end
#
#  64  ASN HA  65  ARG HA
 &rst iat= 1000,1014, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN QB  65  ARG H
 &rst iat= -1,1012, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1002,1003,
&end
#
#  64  ASN QB  65  ARG HA
 &rst iat= -1,1014, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1002,1003,
&end
#
#  64  ASN 1HD2  65  ARG HA
 &rst iat= 1007,1014, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN H  66  GLU H
 &rst iat= 998,1036, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN HA  66  GLU H
 &rst iat= 1000,1036, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN HA  66  GLU QG
 &rst iat= 1000, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1043,1044,
&end
#
#  64  ASN QB  66  GLU H
 &rst iat= -1,1036, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1002,1003,
&end
#
#  64  ASN HA  67  GLU H
 &rst iat= 1000,1051, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN HA  67  GLU HA
 &rst iat= 1000,1053, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN HA  67  GLU QB
 &rst iat= 1000, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1055,1056,
&end
#
#  64  ASN QB  67  GLU H
 &rst iat= -1,1051, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1002,1003,
&end
#
#  64  ASN QB  67  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1002,1003,
igr2= 1055,1056,
&end
#
#  64  ASN QB  67  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1002,1003,
igr2= 1058,1059,
&end
#
#  64  ASN H  68  LEU H
 &rst iat= 998,1066, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN H  68  LEU QD
 &rst iat= 998, -1, r1= 0, r2= 0, r3= 6.75, r4= 7.425,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  64  ASN HA  68  LEU H
 &rst iat= 1000,1066, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN HA  68  LEU HG
 &rst iat= 1000,1073, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN HA  68  LEU QD
 &rst iat= 1000, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  64  ASN QB  68  LEU H
 &rst iat= -1,1066, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1002,1003,
&end
#
#  64  ASN QB  68  LEU HG
 &rst iat= -1,1073, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1002,1003,
&end
#
#  64  ASN QB  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1002,1003,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  64  ASN 1HD2  68  LEU H
 &rst iat= 1007,1066, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN 1HD2  68  LEU QB
 &rst iat= 1007, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1070,1071,
&end
#
#  64  ASN 2HD2  68  LEU HG
 &rst iat= 1008,1073, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  64  ASN 1HD2  68  LEU QD
 &rst iat= 1007, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  64  ASN 2HD2  68  LEU QD
 &rst iat= 1008, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  65  ARG H  65  ARG QB
 &rst iat= 1012, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1016,1017,
&end
#
#  65  ARG H  65  ARG QG
 &rst iat= 1012, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1019,1020,
&end
#
#  65  ARG H  65  ARG 
 &rst iat= 1012, -1, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1019,1020,
&end
#
#  65  ARG QB  65  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1016,1017,
igr2= 1022,1023,
&end
#
#  65  ARG H  66  GLU H
 &rst iat= 1012,1036, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG H  66  GLU HA
 &rst iat= 1012,1038, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG QB  66  GLU H
 &rst iat= -1,1036, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1016,1017,
&end
#
#  65  ARG QG  66  GLU H
 &rst iat= -1,1036, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1019,1020,
&end
#
#  65  ARG QD  66  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1022,1023,
igr2= 1040,1041,
&end
#
#  65  ARG   66  GLU H
 &rst iat= -1,1036, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1022,1023,
&end
#
#  65  ARG   66  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1022,1023,
igr2= 1043,1044,
&end
#
#  65  ARG H  67  GLU H
 &rst iat= 1012,1051, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG HA  67  GLU H
 &rst iat= 1014,1051, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG H  68  LEU H
 &rst iat= 1012,1066, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG H  68  LEU HG
 &rst iat= 1012,1073, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG H  68  LEU QD
 &rst iat= 1012, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  65  ARG HA  68  LEU H
 &rst iat= 1014,1066, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG HA  68  LEU QB
 &rst iat= 1014, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1070,1071,
&end
#
#  65  ARG HA  68  LEU HG
 &rst iat= 1014,1073, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG HA  68  LEU QD
 &rst iat= 1014, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  65  ARG HA  69  GLY H
 &rst iat= 1014,1085, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG QG  69  GLY H
 &rst iat= -1,1085, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1019,1020,
&end
#
#  65  ARG   69  GLY H
 &rst iat= -1,1085, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1019,1020,
&end
#
#  65  ARG H  70  PHE QB
 &rst iat= 1012, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1096,1097,
&end
#
#  65  ARG HA  70  PHE H
 &rst iat= 1014,1092, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  65  ARG HA  70  PHE QB
 &rst iat= 1014, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1096,1097,
&end
#
#  65  ARG HA  70  PHE QD
 &rst iat= 1014, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1100,1108,
&end
#
#  65  ARG QB  70  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1016,1017,
igr2= 1096,1097,
&end
#
#  65  ARG QB  70  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1016,1017,
igr2= 1100,1108,
&end
#
#  65  ARG QG  70  PHE H
 &rst iat= -1,1092, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1019,1020,
&end
#
#  65  ARG QG  70  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1019,1020,
igr2= 1096,1097,
&end
#
#  65  ARG QG  70  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1019,1020,
igr2= 1100,1108,
&end
#
#  65  ARG QD  70  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1022,1023,
igr2= 1100,1108,
&end
#
#  65  ARG   70  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1022,1023,
igr2= 1100,1108,
&end
#
#  65  ARG H  97  LEU QD
 &rst iat= 1012, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  65  ARG HA  97  LEU QD
 &rst iat= 1014, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  65  ARG QD  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1022,1023,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  66  GLU H  66  GLU QB
 &rst iat= 1036, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1040,1041,
&end
#
#  66  GLU H  66  GLU QG
 &rst iat= 1036, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1043,1044,
&end
#
#  66  GLU HA  66  GLU QB
 &rst iat= 1038, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1040,1041,
&end
#
#  66  GLU QB  66  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.51232, r4= 4.13952,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1040,1041,
igr2= 1043,1044,
&end
#
#  66  GLU QG  67  GLU H
 &rst iat= -1,1051, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1043,1044,
&end
#
#  66  GLU QG  67  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1043,1044,
igr2= 1055,1056,
&end
#
#  66  GLU H  68  LEU QD
 &rst iat= 1036, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  66  GLU H  69  GLY H
 &rst iat= 1036,1085, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU HA  69  GLY H
 &rst iat= 1038,1085, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU QG  69  GLY H
 &rst iat= -1,1085, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1043,1044,
&end
#
#  66  GLU H  70  PHE H
 &rst iat= 1036,1092, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  66  GLU HA  70  PHE H
 &rst iat= 1038,1092, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  GLU H  67  GLU QB
 &rst iat= 1051, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1055,1056,
&end
#
#  67  GLU HA  67  GLU QG
 &rst iat= 1053, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1058,1059,
&end
#
#  67  GLU QB  67  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1055,1056,
igr2= 1058,1059,
&end
#
#  67  GLU H  68  LEU H
 &rst iat= 1051,1066, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  GLU H  68  LEU HA
 &rst iat= 1051,1068, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  GLU H  68  LEU QB
 &rst iat= 1051, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1070,1071,
&end
#
#  67  GLU H  68  LEU HG
 &rst iat= 1051,1073, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  GLU H  68  LEU QD
 &rst iat= 1051, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  67  GLU QB  68  LEU H
 &rst iat= -1,1066, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1055,1056,
&end
#
#  67  GLU QB  68  LEU HG
 &rst iat= -1,1073, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1055,1056,
&end
#
#  67  GLU QB  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1055,1056,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  67  GLU QG  68  LEU H
 &rst iat= -1,1066, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1058,1059,
&end
#
#  67  GLU QG  68  LEU HG
 &rst iat= -1,1073, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1058,1059,
&end
#
#  67  GLU QG  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1058,1059,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  67  GLU H  69  GLY H
 &rst iat= 1051,1085, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  67  GLU H  70  PHE H
 &rst iat= 1051,1092, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  LEU H  68  LEU QB
 &rst iat= 1066, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1070,1071,
&end
#
#  68  LEU H  68  LEU HG
 &rst iat= 1066,1073, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  LEU H  68  LEU QD
 &rst iat= 1066, -1, r1= 0, r2= 0, r3= 4.725, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  68  LEU HA  68  LEU QD
 &rst iat= 1068, -1, r1= 0, r2= 0, r3= 4.05, r4= 4.725,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  68  LEU QB  68  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.5944, r4= 6.3504,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1070,1071,
igr2= 1075,1076,1077,1079,1080,1081,
&end
#
#  68  LEU H  69  GLY QA
 &rst iat= 1066, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1087,1088,
&end
#
#  68  LEU QB  69  GLY H
 &rst iat= -1,1085, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1070,1071,
&end
#
#  68  LEU QD  69  GLY H
 &rst iat= -1,1085, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1075,1076,1077,1079,1080,1081,
&end
#
#  68  LEU H  70  PHE H
 &rst iat= 1066,1092, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  68  LEU H  70  PHE QB
 &rst iat= 1066, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1096,1097,
&end
#
#  68  LEU QB  70  PHE H
 &rst iat= -1,1092, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1070,1071,
&end
#
#  68  LEU QD  70  PHE H
 &rst iat= -1,1092, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1075,1076,1077,1079,1080,1081,
&end
#
#  69  GLY H  70  PHE H
 &rst iat= 1085,1092, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  69  GLY H  70  PHE QB
 &rst iat= 1085, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1096,1097,
&end
#
#  70  PHE H  70  PHE QB
 &rst iat= 1092, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1096,1097,
&end
#
#  70  PHE H  70  PHE QD
 &rst iat= 1092, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1100,1108,
&end
#
#  70  PHE HA  70  PHE QD
 &rst iat= 1094, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1100,1108,
&end
#
#  70  PHE HA  70  PHE QE
 &rst iat= 1094, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1102,1106,
&end
#
#  70  PHE QB  70  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1096,1097,
igr2= 1102,1106,
&end
#
#  70  PHE QD  70  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1100,1108,
igr2= 1102,1106,
&end
#
#  70  PHE H  71  ARG H
 &rst iat= 1092,1112, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  70  PHE HA  71  ARG H
 &rst iat= 1094,1112, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  70  PHE QB  71  ARG H
 &rst iat= -1,1112, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1096,1097,
&end
#
#  70  PHE HA  74  TYR QE
 &rst iat= 1094, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1175,1180,
&end
#
#  70  PHE QE  75  SER H
 &rst iat= -1,1186, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
&end
#
#  70  PHE QE  75  SER HA
 &rst iat= -1,1188, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
&end
#
#  70  PHE QD  76  ALA H
 &rst iat= -1,1197, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1100,1108,
&end
#
#  70  PHE QD  76  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1100,1108,
igr2= 1201,1202,1203,
&end
#
#  70  PHE QE  76  ALA H
 &rst iat= -1,1197, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
&end
#
#  70  PHE QE  76  ALA HA
 &rst iat= -1,1199, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
&end
#
#  70  PHE QE  76  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3168, r4= 6.9888,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
igr2= 1201,1202,1203,
&end
#
#  70  PHE QE  77  SER H
 &rst iat= -1,1207, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
&end
#
#  70  PHE QE  78  GLN H
 &rst iat= -1,1218, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
&end
#
#  70  PHE QD  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.4088, r4= 8.1648,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1100,1108,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  70  PHE QE  79  LEU H
 &rst iat= -1,1235, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
&end
#
#  70  PHE QE  79  LEU HG
 &rst iat= -1,1242, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
&end
#
#  70  PHE QE  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  70  PHE H  97  LEU QD
 &rst iat= 1092, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  70  PHE QD  97  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1100,1108,
igr2= 1534,1535,
&end
#
#  70  PHE QD  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1100,1108,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  70  PHE QE  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1102,1106,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  71  ARG H  71  ARG QD
 &rst iat= 1112, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1122,1123,
&end
#
#  71  ARG HA  71  ARG QG
 &rst iat= 1114, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1119,1120,
&end
#
#  71  ARG HA  71  ARG QD
 &rst iat= 1114, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1122,1123,
&end
#
#  71  ARG QB  71  ARG QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1116,1117,
igr2= 1122,1123,
&end
#
#  71  ARG H  72  PRO QD
 &rst iat= 1112, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1137,1138,
&end
#
#  71  ARG HA  72  PRO QB
 &rst iat= 1114, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1143,1144,
&end
#
#  71  ARG HA  72  PRO QG
 &rst iat= 1114, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1140,1141,
&end
#
#  71  ARG HA  72  PRO QD
 &rst iat= 1114, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1137,1138,
&end
#
#  71  ARG QB  72  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1116,1117,
igr2= 1137,1138,
&end
#
#  71  ARG QG  72  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1119,1120,
igr2= 1137,1138,
&end
#
#  71  ARG QD  72  PRO QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1122,1123,
igr2= 1137,1138,
&end
#
#  71  ARG H  73  GLU H
 &rst iat= 1112,1150, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  71  ARG H  73  GLU QG
 &rst iat= 1112, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1157,1158,
&end
#
#  71  ARG HA  73  GLU H
 &rst iat= 1114,1150, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  71  ARG QB  73  GLU H
 &rst iat= -1,1150, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1116,1117,
&end
#
#  71  ARG QD  73  GLU H
 &rst iat= -1,1150, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1122,1123,
&end
#
#  71  ARG H  74  TYR H
 &rst iat= 1112,1165, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  71  ARG H  74  TYR QD
 &rst iat= 1112, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1173,1182,
&end
#
#  71  ARG H  74  TYR QE
 &rst iat= 1112, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1175,1180,
&end
#
#  71  ARG HA  74  TYR H
 &rst iat= 1114,1165, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  71  ARG HA  74  TYR QE
 &rst iat= 1114, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1175,1180,
&end
#
#  71  ARG QB  74  TYR H
 &rst iat= -1,1165, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1116,1117,
&end
#
#  71  ARG QB  74  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1116,1117,
igr2= 1173,1182,
&end
#
#  71  ARG QB  74  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1116,1117,
igr2= 1175,1180,
&end
#
#  71  ARG QG  74  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1119,1120,
igr2= 1175,1180,
&end
#
#  71  ARG QD  74  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.77376, r4= 7.40096,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1122,1123,
igr2= 1175,1180,
&end
#
#  72  PRO QB  73  GLU H
 &rst iat= -1,1150, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1143,1144,
&end
#
#  72  PRO QG  73  GLU H
 &rst iat= -1,1150, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1140,1141,
&end
#
#  72  PRO QD  73  GLU H
 &rst iat= -1,1150, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1137,1138,
&end
#
#  72  PRO HA  74  TYR H
 &rst iat= 1146,1165, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  72  PRO QD  74  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1137,1138,
igr2= 1175,1180,
&end
#
#  72  PRO HA  99  GLY QA
 &rst iat= 1146, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1565,1566,
&end
#
#  72  PRO QB  99  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1143,1144,
igr2= 1565,1566,
&end
#
#  72  PRO HA  100  VAL QG
 &rst iat= 1146, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  72  PRO QB  100  VAL H
 &rst iat= -1,1570, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1143,1144,
&end
#
#  72  PRO QB  100  VAL HA
 &rst iat= -1,1572, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1143,1144,
&end
#
#  72  PRO QB  100  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1143,1144,
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  73  GLU H  73  GLU QB
 &rst iat= 1150, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1154,1155,
&end
#
#  73  GLU H  73  GLU QG
 &rst iat= 1150, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1157,1158,
&end
#
#  73  GLU HA  73  GLU QG
 &rst iat= 1152, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1157,1158,
&end
#
#  73  GLU H  74  TYR H
 &rst iat= 1150,1165, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  GLU H  74  TYR QD
 &rst iat= 1150, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1173,1182,
&end
#
#  73  GLU H  74  TYR QE
 &rst iat= 1150, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1175,1180,
&end
#
#  73  GLU HA  74  TYR HA
 &rst iat= 1152,1167, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  GLU QG  74  TYR H
 &rst iat= -1,1165, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1157,1158,
&end
#
#  73  GLU QG  74  TYR QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1157,1158,
igr2= 1173,1182,
&end
#
#  73  GLU QG  74  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1157,1158,
igr2= 1175,1180,
&end
#
#  73  GLU H  75  SER H
 &rst iat= 1150,1186, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  GLU H  99  GLY QA
 &rst iat= 1150, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1565,1566,
&end
#
#  73  GLU HA  99  GLY QA
 &rst iat= 1152, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1565,1566,
&end
#
#  73  GLU H  100  VAL H
 &rst iat= 1150,1570, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  GLU H  100  VAL QG
 &rst iat= 1150, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  73  GLU HA  100  VAL H
 &rst iat= 1152,1570, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  73  GLU HA  100  VAL QG
 &rst iat= 1152, -1, r1= 0, r2= 0, r3= 4.995, r4= 5.67,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  73  GLU QB  100  VAL H
 &rst iat= -1,1570, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1154,1155,
&end
#
#  73  GLU QB  100  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1154,1155,
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  74  TYR H  74  TYR QB
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1169,1170,
&end
#
#  74  TYR H  74  TYR QD
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1173,1182,
&end
#
#  74  TYR HA  74  TYR QD
 &rst iat= 1167, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1173,1182,
&end
#
#  74  TYR QB  74  TYR QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1169,1170,
igr2= 1175,1180,
&end
#
#  74  TYR H  75  SER H
 &rst iat= 1165,1186, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  TYR H  75  SER QB
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1190,1191,
&end
#
#  74  TYR HA  75  SER H
 &rst iat= 1167,1186, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  TYR HA  75  SER HA
 &rst iat= 1167,1188, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  TYR HA  75  SER QB
 &rst iat= 1167, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1190,1191,
&end
#
#  74  TYR QB  75  SER H
 &rst iat= -1,1186, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1169,1170,
&end
#
#  74  TYR QD  75  SER H
 &rst iat= -1,1186, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1173,1182,
&end
#
#  74  TYR HA  78  GLN H
 &rst iat= 1167,1218, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  TYR H  99  GLY QA
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1565,1566,
&end
#
#  74  TYR H  100  VAL H
 &rst iat= 1165,1570, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  74  TYR H  100  VAL QG
 &rst iat= 1165, -1, r1= 0, r2= 0, r3= 6.48, r4= 7.155,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  75  SER H  75  SER QB
 &rst iat= 1186, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1190,1191,
&end
#
#  75  SER H  76  ALA H
 &rst iat= 1186,1197, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  SER HA  76  ALA H
 &rst iat= 1188,1197, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  SER HA  76  ALA QB
 &rst iat= 1188, -1, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1201,1202,1203,
&end
#
#  75  SER QB  76  ALA H
 &rst iat= -1,1197, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1190,1191,
&end
#
#  75  SER H  77  SER H
 &rst iat= 1186,1207, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  SER H  77  SER QB
 &rst iat= 1186, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1211,1212,
&end
#
#  75  SER HA  77  SER H
 &rst iat= 1188,1207, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  SER QB  77  SER H
 &rst iat= -1,1207, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1190,1191,
&end
#
#  75  SER H  78  GLN H
 &rst iat= 1186,1218, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  SER H  78  GLN QB
 &rst iat= 1186, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1222,1223,
&end
#
#  75  SER QB  78  GLN H
 &rst iat= -1,1218, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1190,1191,
&end
#
#  75  SER QB  98  PRO HA
 &rst iat= -1,1559, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1190,1191,
&end
#
#  75  SER H  99  GLY H
 &rst iat= 1186,1563, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  75  SER H  99  GLY QA
 &rst iat= 1186, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1565,1566,
&end
#
#  75  SER HA  99  GLY QA
 &rst iat= 1188, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1565,1566,
&end
#
#  75  SER QB  99  GLY H
 &rst iat= -1,1563, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1190,1191,
&end
#
#  75  SER QB  99  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.26848, r4= 5.89568,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1190,1191,
igr2= 1565,1566,
&end
#
#  75  SER H  100  VAL QG
 &rst iat= 1186, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  76  ALA H  76  ALA QB
 &rst iat= 1197, -1, r1= 0, r2= 0, r3= 3.6, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1201,1202,1203,
&end
#
#  76  ALA H  77  SER H
 &rst iat= 1197,1207, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  ALA HA  77  SER HA
 &rst iat= 1199,1209, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  ALA QB  77  SER H
 &rst iat= -1,1207, r1= 0, r2= 0, r3= 4.44, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  77  SER HA
 &rst iat= -1,1209, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  77  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.9888, r4= 7.6608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1211,1212,
&end
#
#  76  ALA H  78  GLN H
 &rst iat= 1197,1218, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  ALA HA  78  GLN H
 &rst iat= 1199,1218, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  ALA QB  78  GLN H
 &rst iat= -1,1218, r1= 0, r2= 0, r3= 6, r4= 6.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA H  79  LEU QD
 &rst iat= 1197, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  76  ALA HA  79  LEU H
 &rst iat= 1199,1235, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  ALA HA  79  LEU QB
 &rst iat= 1199, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1239,1240,
&end
#
#  76  ALA HA  79  LEU HG
 &rst iat= 1199,1242, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  ALA HA  79  LEU QD
 &rst iat= 1199, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  76  ALA QB  79  LEU H
 &rst iat= -1,1235, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.832, r4= 6.642,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  76  ALA QB  82  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 7.9296,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1287,1288,
&end
#
#  76  ALA QB  82  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1291,1299,
&end
#
#  76  ALA QB  82  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1293,1297,
&end
#
#  76  ALA QB  93  LEU H
 &rst iat= -1,1450, r1= 0, r2= 0, r3= 5.88, r4= 6.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  93  LEU HA
 &rst iat= -1,1452, r1= 0, r2= 0, r3= 5.16, r4= 5.76,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  93  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1454,1455,
&end
#
#  76  ALA QB  93  LEU HG
 &rst iat= -1,1457, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.614,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  76  ALA H  94  LYS HA
 &rst iat= 1197,1471, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  76  ALA QB  94  LYS H
 &rst iat= -1,1469, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  94  LYS HA
 &rst iat= -1,1471, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  94  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.72, r4= 7.392,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1473,1474,
&end
#
#  76  ALA QB  94  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5104,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1476,1477,
&end
#
#  76  ALA QB  94  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1482,1483,
&end
#
#  76  ALA QB  95  LYS H
 &rst iat= -1,1491, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  96  GLN H
 &rst iat= -1,1513, r1= 0, r2= 0, r3= 6.6, r4= 7.2,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA H  97  LEU QD
 &rst iat= 1197, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  76  ALA HA  97  LEU QD
 &rst iat= 1199, -1, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  76  ALA QB  97  LEU H
 &rst iat= -1,1530, r1= 0, r2= 0, r3= 5.64, r4= 6.24,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  97  LEU HG
 &rst iat= -1,1537, r1= 0, r2= 0, r3= 4.68, r4= 5.28,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
&end
#
#  76  ALA QB  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.642, r4= 7.452,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1201,1202,1203,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  77  SER H  77  SER QB
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1211,1212,
&end
#
#  77  SER H  78  GLN H
 &rst iat= 1207,1218, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  SER H  78  GLN HA
 &rst iat= 1207,1220, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  SER QB  78  GLN H
 &rst iat= -1,1218, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,
&end
#
#  77  SER H  79  LEU H
 &rst iat= 1207,1235, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  SER H  79  LEU QD
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  77  SER HA  79  LEU H
 &rst iat= 1209,1235, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  SER HA  79  LEU QD
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  77  SER H  82  PHE QD
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1291,1299,
&end
#
#  77  SER H  82  PHE QE
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1293,1297,
&end
#
#  77  SER HA  82  PHE QB
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1287,1288,
&end
#
#  77  SER HA  82  PHE QD
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1291,1299,
&end
#
#  77  SER HA  82  PHE QE
 &rst iat= 1209, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1293,1297,
&end
#
#  77  SER QB  82  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,
igr2= 1291,1299,
&end
#
#  77  SER QB  82  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,
igr2= 1293,1297,
&end
#
#  77  SER H  94  LYS HA
 &rst iat= 1207,1471, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  77  SER QB  94  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1211,1212,
igr2= 1476,1477,
&end
#
#  77  SER H  97  LEU QD
 &rst iat= 1207, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  78  GLN H  78  GLN QB
 &rst iat= 1218, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1222,1223,
&end
#
#  78  GLN H  78  GLN QG
 &rst iat= 1218, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1225,1226,
&end
#
#  78  GLN HA  78  GLN QG
 &rst iat= 1220, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1225,1226,
&end
#
#  78  GLN H  79  LEU H
 &rst iat= 1218,1235, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  78  GLN H  79  LEU HA
 &rst iat= 1218,1237, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  78  GLN H  79  LEU QB
 &rst iat= 1218, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1239,1240,
&end
#
#  78  GLN H  79  LEU HG
 &rst iat= 1218,1242, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  78  GLN H  79  LEU QD
 &rst iat= 1218, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  78  GLN QB  79  LEU H
 &rst iat= -1,1235, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1222,1223,
&end
#
#  78  GLN QB  79  LEU HA
 &rst iat= -1,1237, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1222,1223,
&end
#
#  78  GLN H  82  PHE QB
 &rst iat= 1218, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1287,1288,
&end
#
#  79  LEU H  79  LEU QB
 &rst iat= 1235, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1239,1240,
&end
#
#  79  LEU H  79  LEU HG
 &rst iat= 1235,1242, r1= 0, r2= 0, r3= 4.1, r4= 4.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  LEU H  79  LEU QD
 &rst iat= 1235, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  79  LEU HA  79  LEU QD
 &rst iat= 1237, -1, r1= 0, r2= 0, r3= 4.455, r4= 5.13,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  79  LEU QB  79  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.8968, r4= 6.6528,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1239,1240,
igr2= 1244,1245,1246,1248,1249,1250,
&end
#
#  79  LEU H  80  LYS H
 &rst iat= 1235,1254, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  LEU HA  80  LYS H
 &rst iat= 1237,1254, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  LEU HA  80  LYS QG
 &rst iat= 1237, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1261,1262,
&end
#
#  79  LEU QB  80  LYS H
 &rst iat= -1,1254, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1239,1240,
&end
#
#  79  LEU QD  80  LYS H
 &rst iat= -1,1254, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1244,1245,1246,1248,1249,1250,
&end
#
#  79  LEU H  82  PHE H
 &rst iat= 1235,1283, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  79  LEU H  82  PHE QB
 &rst iat= 1235, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1287,1288,
&end
#
#  79  LEU H  82  PHE QD
 &rst iat= 1235, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1291,1299,
&end
#
#  79  LEU QB  82  PHE H
 &rst iat= -1,1283, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1239,1240,
&end
#
#  79  LEU QB  82  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1239,1240,
igr2= 1287,1288,
&end
#
#  79  LEU QB  82  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1239,1240,
igr2= 1291,1299,
&end
#
#  79  LEU QD  82  PHE H
 &rst iat= -1,1283, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1244,1245,1246,1248,1249,1250,
&end
#
#  79  LEU QD  82  PHE QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.1648, r4= 8.9208,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1244,1245,1246,1248,1249,1250,
igr2= 1287,1288,
&end
#
#  79  LEU QD  82  PHE QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1992, r4= 6.9552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1244,1245,1246,1248,1249,1250,
igr2= 1291,1299,
&end
#
#  79  LEU QD  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.10775, r4= 8.019,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1244,1245,1246,1248,1249,1250,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  80  LYS H  80  LYS QB
 &rst iat= 1254, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1258,1259,
&end
#
#  80  LYS H  80  LYS QG
 &rst iat= 1254, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1261,1262,
&end
#
#  80  LYS H  80  LYS QE
 &rst iat= 1254, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1267,1268,
&end
#
#  80  LYS HA  80  LYS QG
 &rst iat= 1256, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1261,1262,
&end
#
#  80  LYS QB  80  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1258,1259,
igr2= 1261,1262,
&end
#
#  80  LYS QB  80  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.89568, r4= 6.52288,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1258,1259,
igr2= 1267,1268,
&end
#
#  80  LYS QG  80  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.7632, r4= 4.3904,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1261,1262,
igr2= 1267,1268,
&end
#
#  80  LYS H  81  GLY H
 &rst iat= 1254,1276, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  LYS QB  81  GLY H
 &rst iat= -1,1276, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1258,1259,
&end
#
#  80  LYS QG  81  GLY H
 &rst iat= -1,1276, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1261,1262,
&end
#
#  80  LYS H  82  PHE H
 &rst iat= 1254,1283, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  LYS HA  82  PHE H
 &rst iat= 1256,1283, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  80  LYS HA  82  PHE QB
 &rst iat= 1256, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1287,1288,
&end
#
#  81  GLY H  82  PHE H
 &rst iat= 1276,1283, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  GLY H  82  PHE QB
 &rst iat= 1276, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1287,1288,
&end
#
#  81  GLY H  83  SER H
 &rst iat= 1276,1303, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  81  GLY QA  83  SER H
 &rst iat= -1,1303, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1278,1279,
&end
#
#  81  GLY H  84  LEU QD
 &rst iat= 1276, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1323,1324,1325,1327,1328,1329,
&end
#
#  81  GLY QA  84  LEU H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1278,1279,
&end
#
#  81  GLY QA  84  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.77024, r4= 6.39744,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1278,1279,
igr2= 1318,1319,
&end
#
#  81  GLY QA  84  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1278,1279,
igr2= 1323,1324,1325,1327,1328,1329,
&end
#
#  82  PHE H  82  PHE QB
 &rst iat= 1283, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1287,1288,
&end
#
#  82  PHE H  82  PHE QD
 &rst iat= 1283, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1291,1299,
&end
#
#  82  PHE HA  82  PHE QD
 &rst iat= 1285, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1291,1299,
&end
#
#  82  PHE HA  82  PHE QE
 &rst iat= 1285, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1293,1297,
&end
#
#  82  PHE QB  82  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1288,
igr2= 1293,1297,
&end
#
#  82  PHE QD  82  PHE QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.3904, r4= 5.0176,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
igr2= 1293,1297,
&end
#
#  82  PHE H  83  SER H
 &rst iat= 1283,1303, r1= 0, r2= 0, r3= 3.8, r4= 4.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  PHE H  83  SER QB
 &rst iat= 1283, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1307,1308,
&end
#
#  82  PHE QB  83  SER H
 &rst iat= -1,1303, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1288,
&end
#
#  82  PHE QB  83  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1288,
igr2= 1307,1308,
&end
#
#  82  PHE QD  83  SER H
 &rst iat= -1,1303, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
&end
#
#  82  PHE QD  83  SER HA
 &rst iat= -1,1305, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
&end
#
#  82  PHE QD  83  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
igr2= 1307,1308,
&end
#
#  82  PHE H  84  LEU H
 &rst iat= 1283,1314, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  PHE H  84  LEU QB
 &rst iat= 1283, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1318,1319,
&end
#
#  82  PHE QB  84  LEU H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1288,
&end
#
#  82  PHE QD  84  LEU H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
&end
#
#  82  PHE H  85  LEU H
 &rst iat= 1283,1333, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  PHE H  85  LEU QD
 &rst iat= 1283, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  82  PHE HA  85  LEU H
 &rst iat= 1285,1333, r1= 0, r2= 0, r3= 4.3, r4= 4.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  82  PHE HA  85  LEU QB
 &rst iat= 1285, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1337,1338,
&end
#
#  82  PHE HA  85  LEU QD
 &rst iat= 1285, -1, r1= 0, r2= 0, r3= 5.265, r4= 5.94,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  82  PHE QB  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1287,1288,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  82  PHE QD  85  LEU H
 &rst iat= -1,1333, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
&end
#
#  82  PHE QD  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.6528, r4= 7.4088,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  82  PHE QD  90  LYS HA
 &rst iat= -1,1405, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
&end
#
#  82  PHE QD  90  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
igr2= 1410,1411,
&end
#
#  82  PHE QD  90  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
igr2= 1416,1417,
&end
#
#  82  PHE QE  90  LYS H
 &rst iat= -1,1403, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
&end
#
#  82  PHE QE  90  LYS HA
 &rst iat= -1,1405, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
&end
#
#  82  PHE QE  90  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.02112, r4= 6.64832,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
igr2= 1407,1408,
&end
#
#  82  PHE QE  90  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
igr2= 1410,1411,
&end
#
#  82  PHE QE  90  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
igr2= 1416,1417,
&end
#
#  82  PHE QE  91  GLU H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
&end
#
#  82  PHE HA  93  LEU QD
 &rst iat= 1285, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  82  PHE QD  93  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.64832, r4= 7.27552,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
igr2= 1454,1455,
&end
#
#  82  PHE QD  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.804,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  82  PHE QE  93  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
igr2= 1454,1455,
&end
#
#  82  PHE QE  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  82  PHE QD  94  LYS H
 &rst iat= -1,1469, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
&end
#
#  82  PHE QD  94  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1291,1299,
igr2= 1476,1477,
&end
#
#  82  PHE QE  94  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
igr2= 1473,1474,
&end
#
#  82  PHE QE  94  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
igr2= 1476,1477,
&end
#
#  82  PHE QE  94  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8992, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1293,1297,
igr2= 1482,1483,
&end
#
#  83  SER H  83  SER QB
 &rst iat= 1303, -1, r1= 0, r2= 0, r3= 3.696, r4= 4.256,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1307,1308,
&end
#
#  83  SER HA  83  SER QB
 &rst iat= 1305, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1307,1308,
&end
#
#  83  SER H  84  LEU H
 &rst iat= 1303,1314, r1= 0, r2= 0, r3= 3.7, r4= 4.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  SER H  84  LEU HA
 &rst iat= 1303,1316, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  SER H  84  LEU QB
 &rst iat= 1303, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1318,1319,
&end
#
#  83  SER H  84  LEU QD
 &rst iat= 1303, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1323,1324,1325,1327,1328,1329,
&end
#
#  83  SER QB  84  LEU H
 &rst iat= -1,1314, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1307,1308,
&end
#
#  83  SER QB  84  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1307,1308,
igr2= 1323,1324,1325,1327,1328,1329,
&end
#
#  83  SER H  85  LEU H
 &rst iat= 1303,1333, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  SER HA  85  LEU H
 &rst iat= 1305,1333, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  83  SER QB  85  LEU H
 &rst iat= -1,1333, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1307,1308,
&end
#
#  83  SER H  90  LYS QG
 &rst iat= 1303, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1410,1411,
&end
#
#  83  SER H  90  LYS QD
 &rst iat= 1303, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1413,1414,
&end
#
#  83  SER H  90  LYS QE
 &rst iat= 1303, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1416,1417,
&end
#
#  83  SER HA  90  LYS QB
 &rst iat= 1305, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1407,1408,
&end
#
#  83  SER HA  90  LYS QD
 &rst iat= 1305, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1413,1414,
&end
#
#  83  SER HA  90  LYS QE
 &rst iat= 1305, -1, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1416,1417,
&end
#
#  83  SER QB  90  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1307,1308,
igr2= 1416,1417,
&end
#
#  84  LEU H  84  LEU QB
 &rst iat= 1314, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1318,1319,
&end
#
#  84  LEU H  84  LEU QD
 &rst iat= 1314, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1323,1324,1325,1327,1328,1329,
&end
#
#  84  LEU HA  84  LEU QD
 &rst iat= 1316, -1, r1= 0, r2= 0, r3= 3.78, r4= 4.455,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1323,1324,1325,1327,1328,1329,
&end
#
#  84  LEU QB  84  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.6872, r4= 5.4432,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1318,1319,
igr2= 1323,1324,1325,1327,1328,1329,
&end
#
#  84  LEU H  85  LEU H
 &rst iat= 1314,1333, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  LEU H  85  LEU HA
 &rst iat= 1314,1335, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  84  LEU H  85  LEU QB
 &rst iat= 1314, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1337,1338,
&end
#
#  84  LEU H  85  LEU QD
 &rst iat= 1314, -1, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  84  LEU QB  85  LEU H
 &rst iat= -1,1333, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1318,1319,
&end
#
#  84  LEU QD  85  LEU H
 &rst iat= -1,1333, r1= 0, r2= 0, r3= 6.885, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1323,1324,1325,1327,1328,1329,
&end
#
#  84  LEU QD  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 9.477, r4= 10.3883,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1323,1324,1325,1327,1328,1329,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  84  LEU H  90  LYS QE
 &rst iat= 1314, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1416,1417,
&end
#
#  85  LEU H  85  LEU QD
 &rst iat= 1333, -1, r1= 0, r2= 0, r3= 4.86, r4= 5.535,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU HA  85  LEU QD
 &rst iat= 1335, -1, r1= 0, r2= 0, r3= 4.59, r4= 5.265,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU QB  85  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1337,1338,
igr2= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU H  86  ALA H
 &rst iat= 1333,1352, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  LEU HA  86  ALA H
 &rst iat= 1335,1352, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  LEU HA  86  ALA HA
 &rst iat= 1335,1354, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  85  LEU HA  86  ALA QB
 &rst iat= 1335, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,
&end
#
#  85  LEU QB  86  ALA H
 &rst iat= -1,1352, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1337,1338,
&end
#
#  85  LEU QD  86  ALA H
 &rst iat= -1,1352, r1= 0, r2= 0, r3= 5.4, r4= 6.075,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU QD  86  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.776, r4= 8.586,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
igr2= 1356,1357,1358,
&end
#
#  85  LEU QB  89  ASP H
 &rst iat= -1,1391, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1337,1338,
&end
#
#  85  LEU QB  89  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1337,1338,
igr2= 1395,1396,
&end
#
#  85  LEU QD  89  ASP H
 &rst iat= -1,1391, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU QD  89  ASP HA
 &rst iat= -1,1393, r1= 0, r2= 0, r3= 7.29, r4= 7.965,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU QD  89  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.5016, r4= 7.2576,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
igr2= 1395,1396,
&end
#
#  85  LEU H  90  LYS QG
 &rst iat= 1333, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1410,1411,
&end
#
#  85  LEU H  90  LYS QD
 &rst iat= 1333, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1413,1414,
&end
#
#  85  LEU H  90  LYS QE
 &rst iat= 1333, -1, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1416,1417,
&end
#
#  85  LEU QB  90  LYS H
 &rst iat= -1,1403, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1337,1338,
&end
#
#  85  LEU QB  90  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1337,1338,
igr2= 1410,1411,
&end
#
#  85  LEU QB  90  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1337,1338,
igr2= 1413,1414,
&end
#
#  85  LEU QD  90  LYS H
 &rst iat= -1,1403, r1= 0, r2= 0, r3= 7.155, r4= 7.83,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU QD  90  LYS HA
 &rst iat= -1,1405, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU QD  90  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.8624, r4= 8.6184,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
igr2= 1410,1411,
&end
#
#  85  LEU QD  90  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
igr2= 1413,1414,
&end
#
#  85  LEU QD  93  LEU H
 &rst iat= -1,1450, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU QD  93  LEU HG
 &rst iat= -1,1457, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
&end
#
#  85  LEU QD  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1965, r4= 7.10775,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1342,1343,1344,1346,1347,1348,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  86  ALA H  86  ALA QB
 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1356,1357,1358,
&end
#
#  86  ALA HA  87  THR HA
 &rst iat= 1354,1364, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA QB  87  THR H
 &rst iat= -1,1362, r1= 0, r2= 0, r3= 5.04, r4= 5.64,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,
&end
#
#  86  ALA QB  87  THR HA
 &rst iat= -1,1364, r1= 0, r2= 0, r3= 5.76, r4= 6.36,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,
&end
#
#  86  ALA QB  87  THR HB
 &rst iat= -1,1366, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,
&end
#
#  86  ALA HA  88  GLU H
 &rst iat= 1354,1376, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA HA  88  GLU QG
 &rst iat= 1354, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1383,1384,
&end
#
#  86  ALA QB  88  GLU H
 &rst iat= -1,1376, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,
&end
#
#  86  ALA QB  88  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7792, r4= 6.4512,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,
igr2= 1380,1381,
&end
#
#  86  ALA QB  88  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.3168,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,
igr2= 1383,1384,
&end
#
#  86  ALA H  89  ASP H
 &rst iat= 1352,1391, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA H  89  ASP QB
 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1395,1396,
&end
#
#  86  ALA HA  89  ASP H
 &rst iat= 1354,1391, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA QB  89  ASP H
 &rst iat= -1,1391, r1= 0, r2= 0, r3= 4.32, r4= 4.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,
&end
#
#  86  ALA QB  89  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.9136, r4= 6.5856,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,
igr2= 1395,1396,
&end
#
#  86  ALA H  90  LYS H
 &rst iat= 1352,1403, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  86  ALA H  90  LYS QD
 &rst iat= 1352, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1413,1414,
&end
#
#  86  ALA HA  90  LYS QD
 &rst iat= 1354, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1413,1414,
&end
#
#  86  ALA QB  90  LYS H
 &rst iat= -1,1403, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1356,1357,1358,
&end
#
#  87  THR H  87  THR QG2
 &rst iat= 1362, -1, r1= 0, r2= 0, r3= 6.24, r4= 6.84,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1368,1369,1370,
&end
#
#  87  THR HA  87  THR QG2
 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1368,1369,1370,
&end
#
#  87  THR H  88  GLU H
 &rst iat= 1362,1376, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  THR HB  88  GLU H
 &rst iat= 1366,1376, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  THR HB  88  GLU QB
 &rst iat= 1366, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1380,1381,
&end
#
#  87  THR QG2  88  GLU H
 &rst iat= -1,1376, r1= 0, r2= 0, r3= 4.56, r4= 5.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1368,1369,1370,
&end
#
#  87  THR QG2  88  GLU HA
 &rst iat= -1,1378, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1368,1369,1370,
&end
#
#  87  THR H  89  ASP H
 &rst iat= 1362,1391, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  THR H  89  ASP QB
 &rst iat= 1362, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1395,1396,
&end
#
#  87  THR HA  89  ASP H
 &rst iat= 1364,1391, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  THR HB  89  ASP H
 &rst iat= 1366,1391, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  THR QG2  89  ASP H
 &rst iat= -1,1391, r1= 0, r2= 0, r3= 6.48, r4= 7.08,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1368,1369,1370,
&end
#
#  87  THR H  90  LYS H
 &rst iat= 1362,1403, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  87  THR H  90  LYS QE
 &rst iat= 1362, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1416,1417,
&end
#
#  87  THR HA  90  LYS QB
 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1407,1408,
&end
#
#  87  THR HA  90  LYS QD
 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1413,1414,
&end
#
#  87  THR HA  90  LYS QE
 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1416,1417,
&end
#
#  87  THR QG2  90  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1368,1369,1370,
igr2= 1416,1417,
&end
#
#  87  THR HA  91  GLU QG
 &rst iat= 1364, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1432,1433,
&end
#
#  87  THR QG2  91  GLU H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 4.8, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1368,1369,1370,
&end
#
#  87  THR QG2  91  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.5696, r4= 5.2416,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1368,1369,1370,
igr2= 1432,1433,
&end
#
#  88  GLU H  88  GLU QB
 &rst iat= 1376, -1, r1= 0, r2= 0, r3= 3.584, r4= 4.144,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1380,1381,
&end
#
#  88  GLU H  88  GLU QG
 &rst iat= 1376, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1383,1384,
&end
#
#  88  GLU HA  88  GLU QB
 &rst iat= 1378, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1380,1381,
&end
#
#  88  GLU H  89  ASP H
 &rst iat= 1376,1391, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU H  89  ASP QB
 &rst iat= 1376, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1395,1396,
&end
#
#  88  GLU QB  89  ASP H
 &rst iat= -1,1391, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1380,1381,
&end
#
#  88  GLU QB  89  ASP HA
 &rst iat= -1,1393, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1380,1381,
&end
#
#  88  GLU QG  89  ASP H
 &rst iat= -1,1391, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1383,1384,
&end
#
#  88  GLU QG  89  ASP HA
 &rst iat= -1,1393, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1383,1384,
&end
#
#  88  GLU H  90  LYS H
 &rst iat= 1376,1403, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU H  90  LYS QD
 &rst iat= 1376, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1413,1414,
&end
#
#  88  GLU HA  90  LYS H
 &rst iat= 1378,1403, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU H  91  GLU H
 &rst iat= 1376,1425, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU H  91  GLU QG
 &rst iat= 1376, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1432,1433,
&end
#
#  88  GLU HA  91  GLU H
 &rst iat= 1378,1425, r1= 0, r2= 0, r3= 4, r4= 4.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU HA  91  GLU QG
 &rst iat= 1378, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1432,1433,
&end
#
#  88  GLU HA  92  ALA H
 &rst iat= 1378,1440, r1= 0, r2= 0, r3= 4.4, r4= 4.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  88  GLU QG  92  ALA H
 &rst iat= -1,1440, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1383,1384,
&end
#
#  89  ASP H  89  ASP QB
 &rst iat= 1391, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1395,1396,
&end
#
#  89  ASP H  90  LYS H
 &rst iat= 1391,1403, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ASP H  90  LYS QB
 &rst iat= 1391, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1407,1408,
&end
#
#  89  ASP H  90  LYS QG
 &rst iat= 1391, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1410,1411,
&end
#
#  89  ASP QB  90  LYS H
 &rst iat= -1,1403, r1= 0, r2= 0, r3= 4.816, r4= 5.376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1395,1396,
&end
#
#  89  ASP QB  90  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.272, r4= 6.8992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1395,1396,
igr2= 1410,1411,
&end
#
#  89  ASP H  91  GLU H
 &rst iat= 1391,1425, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ASP HA  91  GLU H
 &rst iat= 1393,1425, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ASP QB  91  GLU H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1395,1396,
&end
#
#  89  ASP H  92  ALA H
 &rst iat= 1391,1440, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ASP HA  92  ALA H
 &rst iat= 1393,1440, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ASP HA  92  ALA HA
 &rst iat= 1393,1442, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ASP HA  92  ALA QB
 &rst iat= 1393, -1, r1= 0, r2= 0, r3= 3.96, r4= 4.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1444,1445,1446,
&end
#
#  89  ASP QB  92  ALA H
 &rst iat= -1,1440, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1395,1396,
&end
#
#  89  ASP QB  92  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.1824, r4= 6.8544,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1395,1396,
igr2= 1444,1445,1446,
&end
#
#  89  ASP HA  93  LEU H
 &rst iat= 1393,1450, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  89  ASP HA  93  LEU QD
 &rst iat= 1393, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  89  ASP QB  93  LEU H
 &rst iat= -1,1450, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1395,1396,
&end
#
#  89  ASP QB  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.0136, r4= 8.7696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1395,1396,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  90  LYS H  90  LYS QB
 &rst iat= 1403, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1407,1408,
&end
#
#  90  LYS H  90  LYS QG
 &rst iat= 1403, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1410,1411,
&end
#
#  90  LYS H  90  LYS QD
 &rst iat= 1403, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1413,1414,
&end
#
#  90  LYS HA  90  LYS QD
 &rst iat= 1405, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1413,1414,
&end
#
#  90  LYS HA  90  LYS QE
 &rst iat= 1405, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1416,1417,
&end
#
#  90  LYS QB  90  LYS QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.39392, r4= 6.02112,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1407,1408,
igr2= 1413,1414,
&end
#
#  90  LYS QB  90  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.51936, r4= 6.14656,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1407,1408,
igr2= 1416,1417,
&end
#
#  90  LYS QG  90  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.89216, r4= 5.51936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1410,1411,
igr2= 1416,1417,
&end
#
#  90  LYS QB  91  GLU H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1407,1408,
&end
#
#  90  LYS QG  91  GLU H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1410,1411,
&end
#
#  90  LYS QE  91  GLU H
 &rst iat= -1,1425, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1416,1417,
&end
#
#  90  LYS H  92  ALA H
 &rst iat= 1403,1440, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  LYS HA  92  ALA H
 &rst iat= 1405,1440, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  LYS QB  92  ALA H
 &rst iat= -1,1440, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1407,1408,
&end
#
#  90  LYS H  93  LEU H
 &rst iat= 1403,1450, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  LYS H  93  LEU QD
 &rst iat= 1403, -1, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  90  LYS HA  93  LEU H
 &rst iat= 1405,1450, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  90  LYS HA  93  LEU QB
 &rst iat= 1405, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1454,1455,
&end
#
#  90  LYS HA  93  LEU QD
 &rst iat= 1405, -1, r1= 0, r2= 0, r3= 6.345, r4= 7.02,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  90  LYS QB  93  LEU H
 &rst iat= -1,1450, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1407,1408,
&end
#
#  90  LYS QB  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 8.316, r4= 9.072,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1407,1408,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  90  LYS QG  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.3504, r4= 7.1064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1410,1411,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  90  LYS HA  94  LYS H
 &rst iat= 1405,1469, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  GLU H  91  GLU QB
 &rst iat= 1425, -1, r1= 0, r2= 0, r3= 4.032, r4= 4.592,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1429,1430,
&end
#
#  91  GLU H  91  GLU QG
 &rst iat= 1425, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.92,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1432,1433,
&end
#
#  91  GLU HA  91  GLU QG
 &rst iat= 1427, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1432,1433,
&end
#
#  91  GLU QB  91  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1429,1430,
igr2= 1432,1433,
&end
#
#  91  GLU H  92  ALA H
 &rst iat= 1425,1440, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  GLU H  92  ALA HA
 &rst iat= 1425,1442, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  GLU H  92  ALA QB
 &rst iat= 1425, -1, r1= 0, r2= 0, r3= 5.28, r4= 5.88,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1444,1445,1446,
&end
#
#  91  GLU QB  92  ALA H
 &rst iat= -1,1440, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1429,1430,
&end
#
#  91  GLU QB  92  ALA QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.8544, r4= 7.5264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1429,1430,
igr2= 1444,1445,1446,
&end
#
#  91  GLU QG  92  ALA H
 &rst iat= -1,1440, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1432,1433,
&end
#
#  91  GLU H  93  LEU H
 &rst iat= 1425,1450, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  GLU H  93  LEU QD
 &rst iat= 1425, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  91  GLU HA  93  LEU H
 &rst iat= 1427,1450, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  GLU HA  94  LYS H
 &rst iat= 1427,1469, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  91  GLU HA  94  LYS QB
 &rst iat= 1427, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1473,1474,
&end
#
#  91  GLU HA  94  LYS QG
 &rst iat= 1427, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1476,1477,
&end
#
#  91  GLU HA  94  LYS QE
 &rst iat= 1427, -1, r1= 0, r2= 0, r3= 4.704, r4= 5.264,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1482,1483,
&end
#
#  91  GLU QG  94  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1432,1433,
igr2= 1482,1483,
&end
#
#  91  GLU HA  95  LYS H
 &rst iat= 1427,1491, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  92  ALA H  92  ALA QB
 &rst iat= 1440, -1, r1= 0, r2= 0, r3= 3.36, r4= 3.96,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1444,1445,1446,
&end
#
#  92  ALA H  93  LEU H
 &rst iat= 1440,1450, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  92  ALA H  93  LEU QD
 &rst iat= 1440, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  92  ALA QB  93  LEU H
 &rst iat= -1,1450, r1= 0, r2= 0, r3= 3.84, r4= 4.44,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1444,1445,1446,
&end
#
#  92  ALA QB  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.128, r4= 7.938,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1444,1445,1446,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  92  ALA H  94  LYS H
 &rst iat= 1440,1469, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  92  ALA H  95  LYS H
 &rst iat= 1440,1491, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  92  ALA H  95  LYS QG
 &rst iat= 1440, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1498,1499,
&end
#
#  92  ALA HA  95  LYS H
 &rst iat= 1442,1491, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  92  ALA HA  95  LYS QB
 &rst iat= 1442, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1495,1496,
&end
#
#  92  ALA HA  95  LYS QE
 &rst iat= 1442, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1504,1505,
&end
#
#  92  ALA QB  95  LYS H
 &rst iat= -1,1491, r1= 0, r2= 0, r3= 5.4, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1444,1445,1446,
&end
#
#  92  ALA QB  95  LYS QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.1072, r4= 5.7792,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1444,1445,1446,
igr2= 1495,1496,
&end
#
#  92  ALA QB  95  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.392, r4= 8.064,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1444,1445,1446,
igr2= 1504,1505,
&end
#
#  93  LEU H  93  LEU QB
 &rst iat= 1450, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1454,1455,
&end
#
#  93  LEU H  93  LEU HG
 &rst iat= 1450,1457, r1= 0, r2= 0, r3= 3.9, r4= 4.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  93  LEU H  93  LEU QD
 &rst iat= 1450, -1, r1= 0, r2= 0, r3= 5.13, r4= 5.805,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  93  LEU HA  93  LEU QD
 &rst iat= 1452, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  93  LEU QB  93  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.8384, r4= 5.5944,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1454,1455,
igr2= 1459,1460,1461,1463,1464,1465,
&end
#
#  93  LEU H  94  LYS H
 &rst iat= 1450,1469, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  93  LEU H  94  LYS HA
 &rst iat= 1450,1471, r1= 0, r2= 0, r3= 5.4, r4= 5.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  93  LEU H  94  LYS QG
 &rst iat= 1450, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1476,1477,
&end
#
#  93  LEU QB  94  LYS H
 &rst iat= -1,1469, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1454,1455,
&end
#
#  93  LEU QB  94  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.6448, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1454,1455,
igr2= 1476,1477,
&end
#
#  93  LEU QD  94  LYS H
 &rst iat= -1,1469, r1= 0, r2= 0, r3= 5.94, r4= 6.615,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1459,1460,1461,1463,1464,1465,
&end
#
#  93  LEU H  95  LYS QB
 &rst iat= 1450, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1495,1496,
&end
#
#  93  LEU QB  95  LYS H
 &rst iat= -1,1491, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1454,1455,
&end
#
#  93  LEU QD  95  LYS H
 &rst iat= -1,1491, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1459,1460,1461,1463,1464,1465,
&end
#
#  93  LEU QD  96  GLN H
 &rst iat= -1,1513, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1459,1460,1461,1463,1464,1465,
&end
#
#  94  LYS H  94  LYS QB
 &rst iat= 1469, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1473,1474,
&end
#
#  94  LYS H  94  LYS QG
 &rst iat= 1469, -1, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1476,1477,
&end
#
#  94  LYS H  94  LYS QE
 &rst iat= 1469, -1, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1482,1483,
&end
#
#  94  LYS HA  94  LYS QG
 &rst iat= 1471, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1476,1477,
&end
#
#  94  LYS H  95  LYS H
 &rst iat= 1469,1491, r1= 0, r2= 0, r3= 3.5, r4= 4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  LYS H  95  LYS HA
 &rst iat= 1469,1493, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  LYS QG  95  LYS H
 &rst iat= -1,1491, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1476,1477,
&end
#
#  94  LYS QE  95  LYS H
 &rst iat= -1,1491, r1= 0, r2= 0, r3= 5.824, r4= 6.384,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1482,1483,
&end
#
#  94  LYS H  96  GLN H
 &rst iat= 1469,1513, r1= 0, r2= 0, r3= 4.6, r4= 5.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  LYS HA  96  GLN H
 &rst iat= 1471,1513, r1= 0, r2= 0, r3= 5.3, r4= 5.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  LYS H  97  LEU H
 &rst iat= 1469,1530, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  LYS HA  97  LEU H
 &rst iat= 1471,1530, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  LYS H  98  PRO HA
 &rst iat= 1469,1559, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  LYS HA  98  PRO HA
 &rst iat= 1471,1559, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  94  LYS HA  99  GLY H
 &rst iat= 1471,1563, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  95  LYS H  95  LYS QB
 &rst iat= 1491, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1495,1496,
&end
#
#  95  LYS H  95  LYS QG
 &rst iat= 1491, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1498,1499,
&end
#
#  95  LYS HA  95  LYS QG
 &rst iat= 1493, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1498,1499,
&end
#
#  95  LYS HA  95  LYS QE
 &rst iat= 1493, -1, r1= 0, r2= 0, r3= 6.048, r4= 6.608,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1504,1505,
&end
#
#  95  LYS QG  95  LYS QE
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 4.51584, r4= 5.14304,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1498,1499,
igr2= 1504,1505,
&end
#
#  95  LYS QB  96  GLN H
 &rst iat= -1,1513, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1495,1496,
&end
#
#  95  LYS QG  96  GLN H
 &rst iat= -1,1513, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1498,1499,
&end
#
#  95  LYS HA  97  LEU H
 &rst iat= 1493,1530, r1= 0, r2= 0, r3= 4.8, r4= 5.3,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  95  LYS H  98  PRO HA
 &rst iat= 1491,1559, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  95  LYS H  98  PRO QB
 &rst iat= 1491, -1, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1556,1557,
&end
#
#  95  LYS HA  98  PRO QB
 &rst iat= 1493, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1556,1557,
&end
#
#  96  GLN H  96  GLN QB
 &rst iat= 1513, -1, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1517,1518,
&end
#
#  96  GLN H  96  GLN QG
 &rst iat= 1513, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1520,1521,
&end
#
#  96  GLN HA  96  GLN QB
 &rst iat= 1515, -1, r1= 0, r2= 0, r3= 3.136, r4= 3.696,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1517,1518,
&end
#
#  96  GLN HA  96  GLN QG
 &rst iat= 1515, -1, r1= 0, r2= 0, r3= 4.144, r4= 4.704,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1520,1521,
&end
#
#  96  GLN H  97  LEU H
 &rst iat= 1513,1530, r1= 0, r2= 0, r3= 3.3, r4= 3.8,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  96  GLN H  97  LEU HA
 &rst iat= 1513,1532, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  96  GLN H  97  LEU QD
 &rst iat= 1513, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  96  GLN QB  97  LEU H
 &rst iat= -1,1530, r1= 0, r2= 0, r3= 4.368, r4= 4.928,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1517,1518,
&end
#
#  96  GLN QB  97  LEU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1517,1518,
igr2= 1534,1535,
&end
#
#  96  GLN QB  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.1064, r4= 7.8624,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1517,1518,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  96  GLN H  98  PRO QG
 &rst iat= 1513, -1, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1553,1554,
&end
#
#  96  GLN H  98  PRO QD
 &rst iat= 1513, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1550,1551,
&end
#
#  96  GLN HA  98  PRO QD
 &rst iat= 1515, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1550,1551,
&end
#
#  97  LEU H  97  LEU QB
 &rst iat= 1530, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1534,1535,
&end
#
#  97  LEU H  97  LEU QD
 &rst iat= 1530, -1, r1= 0, r2= 0, r3= 5.67, r4= 6.345,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  97  LEU HA  97  LEU QD
 &rst iat= 1532, -1, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  97  LEU QB  97  LEU QD
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.7456, r4= 6.5016,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1534,1535,
igr2= 1539,1540,1541,1543,1544,1545,
&end
#
#  97  LEU H  98  PRO HA
 &rst iat= 1530,1559, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  97  LEU H  98  PRO QB
 &rst iat= 1530, -1, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1556,1557,
&end
#
#  97  LEU H  98  PRO QD
 &rst iat= 1530, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1550,1551,
&end
#
#  97  LEU HA  98  PRO QD
 &rst iat= 1532, -1, r1= 0, r2= 0, r3= 3.472, r4= 4.032,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1550,1551,
&end
#
#  98  PRO HA  99  GLY H
 &rst iat= 1559,1563, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  98  PRO HA  99  GLY QA
 &rst iat= 1559, -1, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1565,1566,
&end
#
#  98  PRO QB  99  GLY H
 &rst iat= -1,1563, r1= 0, r2= 0, r3= 4.256, r4= 4.816,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1556,1557,
&end
#
#  98  PRO QG  99  GLY H
 &rst iat= -1,1563, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1553,1554,
&end
#
#  99  GLY H  100  VAL H
 &rst iat= 1563,1570, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  99  GLY H  100  VAL QG
 &rst iat= 1563, -1, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  99  GLY QA  100  VAL H
 &rst iat= -1,1570, r1= 0, r2= 0, r3= 3.92, r4= 4.48,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1565,1566,
&end
#
#  99  GLY QA  100  VAL HA
 &rst iat= -1,1572, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1565,1566,
&end
#
#  99  GLY QA  100  VAL HB
 &rst iat= -1,1574, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1565,1566,
&end
#
#  99  GLY QA  100  VAL QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.804, r4= 7.56,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1565,1566,
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  100  VAL H  100  VAL HB
 &rst iat= 1570,1574, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  VAL H  100  VAL QG
 &rst iat= 1570, -1, r1= 0, r2= 0, r3= 4.185, r4= 4.86,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  100  VAL HA  100  VAL QG
 &rst iat= 1572, -1, r1= 0, r2= 0, r3= 3.915, r4= 4.59,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1576,1577,1578,1580,1581,1582,
&end
#
#  100  VAL H  101  LYS H
 &rst iat= 1570,1586, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  VAL HA  101  LYS H
 &rst iat= 1572,1586, r1= 0, r2= 0, r3= 3, r4= 3.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  VAL HA  101  LYS QG
 &rst iat= 1572, -1, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1593,1594,
&end
#
#  100  VAL HB  101  LYS H
 &rst iat= 1574,1586, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  VAL QG  101  LYS H
 &rst iat= -1,1586, r1= 0, r2= 0, r3= 5.535, r4= 6.21,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1576,1577,1578,1580,1581,1582,
&end
#
#  100  VAL QG  101  LYS HA
 &rst iat= -1,1588, r1= 0, r2= 0, r3= 6.075, r4= 6.75,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1576,1577,1578,1580,1581,1582,
&end
#
#  100  VAL QG  101  LYS QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 7.2576, r4= 8.0136,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1576,1577,1578,1580,1581,1582,
igr2= 1593,1594,
&end
#
#  100  VAL HA  102  SER H
 &rst iat= 1572,1608, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  VAL HB  102  SER H
 &rst iat= 1574,1608, r1= 0, r2= 0, r3= 4.7, r4= 5.2,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  100  VAL QG  102  SER H
 &rst iat= -1,1608, r1= 0, r2= 0, r3= 7.425, r4= 8.1,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1576,1577,1578,1580,1581,1582,
&end
#
#  100  VAL QG  102  SER HA
 &rst iat= -1,1610, r1= 0, r2= 0, r3= 6.615, r4= 7.29,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1576,1577,1578,1580,1581,1582,
&end
#
#  100  VAL QG  102  SER QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.4432, r4= 6.1992,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1576,1577,1578,1580,1581,1582,
igr2= 1612,1613,
&end
#
#  101  LYS H  101  LYS QB
 &rst iat= 1586, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1590,1591,
&end
#
#  101  LYS H  101  LYS QG
 &rst iat= 1586, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1593,1594,
&end
#
#  101  LYS QB  102  SER H
 &rst iat= -1,1608, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1590,1591,
&end
#
#  101  LYS H  103  GLU H
 &rst iat= 1586,1619, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  LYS HA  103  GLU H
 &rst iat= 1588,1619, r1= 0, r2= 0, r3= 5.1, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  101  LYS QG  103  GLU QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.39744, r4= 7.02464,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
igr2= 1623,1624,
&end
#
#  101  LYS QG  104  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
igr2= 1636,1637,
&end
#
#  101  LYS QG  105  LYS H
 &rst iat= -1,1641, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
&end
#
#  101  LYS QG  106  ARG H
 &rst iat= -1,1663, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1593,1594,
&end
#
#  102  SER HA  102  SER QB
 &rst iat= 1610, -1, r1= 0, r2= 0, r3= 3.248, r4= 3.808,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1612,1613,
&end
#
#  102  SER QB  103  GLU H
 &rst iat= -1,1619, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1612,1613,
&end
#
#  103  GLU H  103  GLU QG
 &rst iat= 1619, -1, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1626,1627,
&end
#
#  103  GLU QB  103  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.63776, r4= 4.26496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
igr2= 1626,1627,
&end
#
#  103  GLU HA  104  GLY QA
 &rst iat= 1621, -1, r1= 0, r2= 0, r3= 4.928, r4= 5.488,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1636,1637,
&end
#
#  103  GLU QB  104  GLY H
 &rst iat= -1,1634, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
&end
#
#  103  GLU QB  104  GLY QA
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.14656, r4= 6.77376,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1623,1624,
igr2= 1636,1637,
&end
#
#  103  GLU QG  105  LYS H
 &rst iat= -1,1641, r1= 0, r2= 0, r3= 5.6, r4= 6.16,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1626,1627,
&end
#
#  104  GLY H  106  ARG H
 &rst iat= 1634,1663, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  105  LYS H  106  ARG HA
 &rst iat= 1641,1665, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  105  LYS HA  106  ARG H
 &rst iat= 1643,1663, r1= 0, r2= 0, r3= 3.6, r4= 4.1,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  105  LYS QB  106  ARG H
 &rst iat= -1,1663, r1= 0, r2= 0, r3= 5.152, r4= 5.712,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1645,1646,
&end
#
#  106  ARG H  107  LYS H
 &rst iat= 1663,1687, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  106  ARG QB  107  LYS H
 &rst iat= -1,1687, r1= 0, r2= 0, r3= 5.376, r4= 5.936,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1667,1668,
&end
#
#  107  LYS HA  108  GLY QA
 &rst iat= 1689, -1, r1= 0, r2= 0, r3= 5.04, r4= 5.6,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1711,1712,
&end
#
#  107  LYS QB  108  GLY H
 &rst iat= -1,1709, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1691,1692,
&end
#
#  107  LYS HA  109  ASP H
 &rst iat= 1689,1716, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  107  LYS QB  109  ASP H
 &rst iat= -1,1716, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1691,1692,
&end
#
#  108  GLY QA  109  ASP HA
 &rst iat= -1,1718, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1711,1712,
&end
#
#  108  GLY QA  109  ASP QB
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 5.14304, r4= 5.77024,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1711,1712,
igr2= 1720,1721,
&end
#
#  108  GLY H  110  GLU H
 &rst iat= 1709,1728, r1= 0, r2= 0, r3= 5.2, r4= 5.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  108  GLY QA  110  GLU H
 &rst iat= -1,1728, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1711,1712,
&end
#
#  108  GLY QA  110  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 6.52288, r4= 7.15008,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1711,1712,
igr2= 1735,1736,
&end
#
#  109  ASP H  109  ASP QB
 &rst iat= 1716, -1, r1= 0, r2= 0, r3= 4.48, r4= 5.04,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1720,1721,
&end
#
#  109  ASP H  110  GLU H
 &rst iat= 1716,1728, r1= 0, r2= 0, r3= 4.2, r4= 4.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  109  ASP H  110  GLU HA
 &rst iat= 1716,1730, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  109  ASP HA  110  GLU HA
 &rst iat= 1718,1730, r1= 0, r2= 0, r3= 4.5, r4= 5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  109  ASP QB  110  GLU H
 &rst iat= -1,1728, r1= 0, r2= 0, r3= 5.264, r4= 5.824,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1720,1721,
&end
#
#  110  GLU H  110  GLU QB
 &rst iat= 1728, -1, r1= 0, r2= 0, r3= 4.592, r4= 5.152,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1732,1733,
&end
#
#  110  GLU HA  110  GLU QG
 &rst iat= 1730, -1, r1= 0, r2= 0, r3= 3.808, r4= 4.368,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1735,1736,
&end
#
#  110  GLU QB  110  GLU QG
 &rst iat= -1, -1, r1= 0, r2= 0, r3= 3.38688, r4= 4.01408,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1732,1733,
igr2= 1735,1736,
&end
#
#  110  GLU H  111  VAL H
 &rst iat= 1728,1743, r1= 0, r2= 0, r3= 5, r4= 5.5,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  110  GLU HA  111  VAL H
 &rst iat= 1730,1743, r1= 0, r2= 0, r3= 3.4, r4= 3.9,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  110  GLU QB  111  VAL H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.712, r4= 6.272,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1732,1733,
&end
#
#  110  GLU QG  111  VAL H
 &rst iat= -1,1743, r1= 0, r2= 0, r3= 5.936, r4= 6.496,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1735,1736,
&end
#
#  110  GLU H  112  ASP QB
 &rst iat= 1728, -1, r1= 0, r2= 0, r3= 5.488, r4= 6.048,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1763,1764,
&end
#
#  110  GLU HA  112  ASP H
 &rst iat= 1730,1759, r1= 0, r2= 0, r3= 4.9, r4= 5.4,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  110  GLU QB  112  ASP H
 &rst iat= -1,1759, r1= 0, r2= 0, r3= 6.16, r4= 6.72,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr1= 1732,1733,
&end
#
#  111  VAL H  111  VAL QG
 &rst iat= 1743, -1, r1= 0, r2= 0, r3= 7.02, r4= 7.695,
 rk2= 0.00, rk3= 20.00, ir6=1, 
igr2= 1749,1750,1751,1753,1754,1755,
&end
#
#  111  VAL HA  112  ASP H
 &rst iat= 1745,1759, r1= 0, r2= 0, r3= 3.2, r4= 3.7,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
#  111  VAL HB  112  ASP H
 &rst iat= 1747,1759, r1= 0, r2= 0, r3= 5.5, r4= 6,
 rk2= 0.00, rk3= 20.00, ir6=1, &end
#
# 1775 atoms read from pdb file protein_anneal_neutral_01.pdb.
# 7 THR PHI:  (6 LYS C)-(7 THR N)-(7 THR CA)-(7 THR C) -123.1 -36.7
 &rst     iat =    88,    90,    92,   102,
   r1 = -124.1, r2 = -123.1, r3 = -36.7, r4 = -35.7,
   rk2 =  100.0, rk3 =  100.0,    &end

# 7 THR PSI:  (7 THR N)-(7 THR CA)-(7 THR C)-(8 LEU N) 114.1 156.3
 &rst     iat =    90,    92,   102,   104,
   r1 = 113.1, r2 = 114.1, r3 = 156.3, r4 = 157.3,
 &end

# 11 PHE PHI:  (10 ASP C)-(11 PHE N)-(11 PHE CA)-(11 PHE C) -157.5 -112.2
 &rst     iat =   140,   142,   144,   160,
   r1 = -158.5, r2 = -157.5, r3 = -112.2, r4 = -111.2,
 &end

# 11 PHE PSI:  (11 PHE N)-(11 PHE CA)-(11 PHE C)-(12 ALA N) 138.5 160.0
 &rst     iat =   142,   144,   160,   162,
   r1 = 137.5, r2 = 138.5, r3 = 160.0, r4 = 161.0,
 &end

# 12 ALA PHI:  (11 PHE C)-(12 ALA N)-(12 ALA CA)-(12 ALA C) -164.5 -112.7
 &rst     iat =   160,   162,   164,   170,
   r1 = -165.5, r2 = -164.5, r3 = -112.7, r4 = -111.7,
 &end

# 12 ALA PSI:  (12 ALA N)-(12 ALA CA)-(12 ALA C)-(13 ALA N) 137.5 159.5
 &rst     iat =   162,   164,   170,   172,
   r1 = 136.5, r2 = 137.5, r3 = 159.5, r4 = 160.5,
 &end

# 13 ALA PHI:  (12 ALA C)-(13 ALA N)-(13 ALA CA)-(13 ALA C) -173.6 -106.8
 &rst     iat =   170,   172,   174,   180,
   r1 = -174.6, r2 = -173.6, r3 = -106.8, r4 = -105.8,
 &end

# 13 ALA PSI:  (13 ALA N)-(13 ALA CA)-(13 ALA C)-(14 GLU N) 134.2 157.8
 &rst     iat =   172,   174,   180,   182,
   r1 = 133.2, r2 = 134.2, r3 = 157.8, r4 = 158.8,
 &end

# 14 GLU PHI:  (13 ALA C)-(14 GLU N)-(14 GLU CA)-(14 GLU C) -189.9 -64.2
 &rst     iat =   180,   182,   184,   195,
   r1 = -190.9, r2 = -189.9, r3 = -64.2, r4 = -63.2,
 &end

# 14 GLU PSI:  (14 GLU N)-(14 GLU CA)-(14 GLU C)-(15 TYR N) 150.0 176.8
 &rst     iat =   182,   184,   195,   197,
   r1 = 149.0, r2 = 150.0, r3 = 176.8, r4 = 177.8,
 &end

# 15 TYR PHI:  (14 GLU C)-(15 TYR N)-(15 TYR CA)-(15 TYR C) -138.3 -33.3
 &rst     iat =   195,   197,   199,   216,
   r1 = -139.3, r2 = -138.3, r3 = -33.3, r4 = -32.3,
 &end

# 15 TYR PSI:  (15 TYR N)-(15 TYR CA)-(15 TYR C)-(16 ALA N) 122.6 153.8
 &rst     iat =   197,   199,   216,   218,
   r1 = 121.6, r2 = 122.6, r3 = 153.8, r4 = 154.8,
 &end

# 18 SER PHI:  (17 LYS C)-(18 SER N)-(18 SER CA)-(18 SER C) -154.8 -88.4
 &rst     iat =   248,   250,   252,   259,
   r1 = -155.8, r2 = -154.8, r3 = -88.4, r4 = -87.4,
 &end

# 18 SER PSI:  (18 SER N)-(18 SER CA)-(18 SER C)-(19 ASN N) 128.9 157.8
 &rst     iat =   250,   252,   259,   261,
   r1 = 127.9, r2 = 128.9, r3 = 157.8, r4 = 158.8,
 &end

# 29 LYS PHI:  (28 GLU C)-(29 LYS N)-(29 LYS CA)-(29 LYS C) -94.0 -54.0
 &rst     iat =   403,   405,   407,   425,
   r1 = -95.0, r2 = -94.0, r3 = -54.0, r4 = -53.0,
 &end

# 29 LYS PSI:  (29 LYS N)-(29 LYS CA)-(29 LYS C)-(30 ILE N) 107.3 153.7
 &rst     iat =   405,   407,   425,   427,
   r1 = 106.3, r2 = 107.3, r3 = 153.7, r4 = 154.7,
 &end

# 30 ILE PHI:  (29 LYS C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -128.4 -42.3
 &rst     iat =   425,   427,   429,   444,
   r1 = -129.4, r2 = -128.4, r3 = -42.3, r4 = -41.3,
 &end

# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 GLU N) 117.5 151.6
 &rst     iat =   427,   429,   444,   446,
   r1 = 116.5, r2 = 117.5, r3 = 151.6, r4 = 152.6,
 &end

# 34 GLN PHI:  (33 GLY C)-(34 GLN N)-(34 GLN CA)-(34 GLN C) -128.1 -40.7
 &rst     iat =   488,   490,   492,   505,
   r1 = -129.1, r2 = -128.1, r3 = -40.7, r4 = -39.7,
 &end

# 34 GLN PSI:  (34 GLN N)-(34 GLN CA)-(34 GLN C)-(35 VAL N) 107.7 171.8
 &rst     iat =   490,   492,   505,   507,
   r1 = 106.7, r2 = 107.7, r3 = 171.8, r4 = 172.8,
 &end

# 36 ARG PHI:  (35 VAL C)-(36 ARG N)-(36 ARG CA)-(36 ARG C) -167.1 -89.6
 &rst     iat =   521,   523,   525,   545,
   r1 = -168.1, r2 = -167.1, r3 = -89.6, r4 = -88.6,
 &end

# 36 ARG PSI:  (36 ARG N)-(36 ARG CA)-(36 ARG C)-(37 LEU N) 132.3 170.6
 &rst     iat =   523,   525,   545,   547,
   r1 = 131.3, r2 = 132.3, r3 = 170.6, r4 = 171.6,
 &end

# 37 LEU PHI:  (36 ARG C)-(37 LEU N)-(37 LEU CA)-(37 LEU C) -171.8 -90.6
 &rst     iat =   545,   547,   549,   564,
   r1 = -172.8, r2 = -171.8, r3 = -90.6, r4 = -89.6,
 &end

# 37 LEU PSI:  (37 LEU N)-(37 LEU CA)-(37 LEU C)-(38 SER N) 130.6 156.1
 &rst     iat =   547,   549,   564,   566,
   r1 = 129.6, r2 = 130.6, r3 = 156.1, r4 = 157.1,
 &end

# 38 SER PHI:  (37 LEU C)-(38 SER N)-(38 SER CA)-(38 SER C) -148.2 -108.2
 &rst     iat =   564,   566,   568,   575,
   r1 = -149.2, r2 = -148.2, r3 = -108.2, r4 = -107.2,
 &end

# 38 SER PSI:  (38 SER N)-(38 SER CA)-(38 SER C)-(39 LYS N) 141.5 164.7
 &rst     iat =   566,   568,   575,   577,
   r1 = 140.5, r2 = 141.5, r3 = 164.7, r4 = 165.7,
 &end

# 39 LYS PHI:  (38 SER C)-(39 LYS N)-(39 LYS CA)-(39 LYS C) -162.4 -103.3
 &rst     iat =   575,   577,   579,   597,
   r1 = -163.4, r2 = -162.4, r3 = -103.3, r4 = -102.3,
 &end

# 39 LYS PSI:  (39 LYS N)-(39 LYS CA)-(39 LYS C)-(40 LYS N) 120.4 147.0
 &rst     iat =   577,   579,   597,   599,
   r1 = 119.4, r2 = 120.4, r3 = 147.0, r4 = 148.0,
 &end

# 40 LYS PHI:  (39 LYS C)-(40 LYS N)-(40 LYS CA)-(40 LYS C) -137.8 -83.7
 &rst     iat =   597,   599,   601,   619,
   r1 = -138.8, r2 = -137.8, r3 = -83.7, r4 = -82.7,
 &end

# 40 LYS PSI:  (40 LYS N)-(40 LYS CA)-(40 LYS C)-(41 MET N) 113.5 144.8
 &rst     iat =   599,   601,   619,   621,
   r1 = 112.5, r2 = 113.5, r3 = 144.8, r4 = 145.8,
 &end

# 41 MET PHI:  (40 LYS C)-(41 MET N)-(41 MET CA)-(41 MET C) -177.9 -86.1
 &rst     iat =   619,   621,   623,   636,
   r1 = -178.9, r2 = -177.9, r3 = -86.1, r4 = -85.1,
 &end

# 41 MET PSI:  (41 MET N)-(41 MET CA)-(41 MET C)-(42 VAL N) 128.5 154.9
 &rst     iat =   621,   623,   636,   638,
   r1 = 127.5, r2 = 128.5, r3 = 154.9, r4 = 155.9,
 &end

# 42 VAL PHI:  (41 MET C)-(42 VAL N)-(42 VAL CA)-(42 VAL C) -167.5 -67.4
 &rst     iat =   636,   638,   640,   652,
   r1 = -168.5, r2 = -167.5, r3 = -67.4, r4 = -66.4,
 &end

# 42 VAL PSI:  (42 VAL N)-(42 VAL CA)-(42 VAL C)-(43 ASP N) 111.5 137.8
 &rst     iat =   638,   640,   652,   654,
   r1 = 110.5, r2 = 111.5, r3 = 137.8, r4 = 138.8,
 &end

# 43 ASP PHI:  (42 VAL C)-(43 ASP N)-(43 ASP CA)-(43 ASP C) -136.5 -47.5
 &rst     iat =   652,   654,   656,   664,
   r1 = -137.5, r2 = -136.5, r3 = -47.5, r4 = -46.5,
 &end

# 43 ASP PSI:  (43 ASP N)-(43 ASP CA)-(43 ASP C)-(44 PRO N)  97.7 144.0
 &rst     iat =   654,   656,   664,   666,
   r1 =  96.7, r2 =  97.7, r3 = 144.0, r4 = 145.0,
 &end

# 44 PRO PSI:  (44 PRO N)-(44 PRO CA)-(44 PRO C)-(45 GLU N) -37.1 -15.8
 &rst     iat =   666,   676,   678,   680,
   r1 = -38.1, r2 = -37.1, r3 = -15.8, r4 = -14.8,
 &end

# 46 LYS PHI:  (45 GLU C)-(46 LYS N)-(46 LYS CA)-(46 LYS C) -154.5 -78.4
 &rst     iat =   693,   695,   697,   715,
   r1 = -155.5, r2 = -154.5, r3 = -78.4, r4 = -77.4,
 &end

# 46 LYS PSI:  (46 LYS N)-(46 LYS CA)-(46 LYS C)-(47 PRO N)  51.3 118.2
 &rst     iat =   695,   697,   715,   717,
   r1 =  50.3, r2 =  51.3, r3 = 118.2, r4 = 119.2,
 &end

# 47 PRO PSI:  (47 PRO N)-(47 PRO CA)-(47 PRO C)-(48 GLN N) -38.6 -21.6
 &rst     iat =   717,   727,   729,   731,
   r1 = -39.6, r2 = -38.6, r3 = -21.6, r4 = -20.6,
 &end

# 48 GLN PHI:  (47 PRO C)-(48 GLN N)-(48 GLN CA)-(48 GLN C) -81.6 -41.6
 &rst     iat =   729,   731,   733,   746,
   r1 = -82.6, r2 = -81.6, r3 = -41.6, r4 = -40.6,
 &end

# 48 GLN PSI:  (48 GLN N)-(48 GLN CA)-(48 GLN C)-(49 LEU N) -37.3 -17.3
 &rst     iat =   731,   733,   746,   748,
   r1 = -38.3, r2 = -37.3, r3 = -17.3, r4 = -16.3,
 &end

# 49 LEU PHI:  (48 GLN C)-(49 LEU N)-(49 LEU CA)-(49 LEU C) -96.6 -56.6
 &rst     iat =   746,   748,   750,   765,
   r1 = -97.6, r2 = -96.6, r3 = -56.6, r4 = -55.6,
 &end

# 49 LEU PSI:  (49 LEU N)-(49 LEU CA)-(49 LEU C)-(50 GLY N) -25.9  -2.1
 &rst     iat =   748,   750,   765,   767,
   r1 = -26.9, r2 = -25.9, r3 =  -2.1, r4 =  -1.1,
 &end

# 51 MET PHI:  (50 GLY C)-(51 MET N)-(51 MET CA)-(51 MET C) -125.2 -45.6
 &rst     iat =   772,   774,   776,   789,
   r1 = -126.2, r2 = -125.2, r3 = -45.6, r4 = -44.6,
 &end

# 51 MET PSI:  (51 MET N)-(51 MET CA)-(51 MET C)-(52 ILE N) 121.0 152.8
 &rst     iat =   774,   776,   789,   791,
   r1 = 120.0, r2 = 121.0, r3 = 152.8, r4 = 153.8,
 &end

# 52 ILE PHI:  (51 MET C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -164.4 -82.8
 &rst     iat =   789,   791,   793,   808,
   r1 = -165.4, r2 = -164.4, r3 = -82.8, r4 = -81.8,
 &end

# 52 ILE PSI:  (52 ILE N)-(52 ILE CA)-(52 ILE C)-(53 ASP N) 146.8 171.9
 &rst     iat =   791,   793,   808,   810,
   r1 = 145.8, r2 = 146.8, r3 = 171.9, r4 = 172.9,
 &end

# 54 ARG PHI:  (53 ASP C)-(54 ARG N)-(54 ARG CA)-(54 ARG C) -143.8 -55.8
 &rst     iat =   820,   822,   824,   844,
   r1 = -144.8, r2 = -143.8, r3 = -55.8, r4 = -54.8,
 &end

# 54 ARG PSI:  (54 ARG N)-(54 ARG CA)-(54 ARG C)-(55 TRP N) 101.9 159.2
 &rst     iat =   822,   824,   844,   846,
   r1 = 100.9, r2 = 101.9, r3 = 159.2, r4 = 160.2,
 &end

# 56 TYR PHI:  (55 TRP C)-(56 TYR N)-(56 TYR CA)-(56 TYR C) -175.9 -114.6
 &rst     iat =   868,   870,   872,   889,
   r1 = -176.9, r2 = -175.9, r3 = -114.6, r4 = -113.6,
 &end

# 56 TYR PSI:  (56 TYR N)-(56 TYR CA)-(56 TYR C)-(57 HIE N) 143.8 163.8
 &rst     iat =   870,   872,   889,   891,
   r1 = 142.8, r2 = 143.8, r3 = 163.8, r4 = 164.8,
 &end

# 58 PRO PSI:  (58 PRO N)-(58 PRO CA)-(58 PRO C)-(59 GLY N) -50.2 -37.3
 &rst     iat =   908,   918,   920,   922,
   r1 = -51.2, r2 = -50.2, r3 = -37.3, r4 = -36.3,
 &end

# 59 GLY PHI:  (58 PRO C)-(59 GLY N)-(59 GLY CA)-(59 GLY C) -84.6 -44.6
 &rst     iat =   920,   922,   924,   927,
   r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6,
 &end

# 59 GLY PSI:  (59 GLY N)-(59 GLY CA)-(59 GLY C)-(60 CYM N) -45.8 -25.8
 &rst     iat =   922,   924,   927,   929,
   r1 = -46.8, r2 = -45.8, r3 = -25.8, r4 = -24.8,
 &end

# 60 CYS PHI:  (59 GLY C)-(60 CYM N)-(60 CYM CA)-(60 CYM C) -83.6 -43.6
 &rst     iat =   927,   929,   931,   937,
   r1 = -84.6, r2 = -83.6, r3 = -43.6, r4 = -42.6,
 &end

# 60 CYS PSI:  (60 CYM N)-(60 CYM CA)-(60 CYM C)-(61 PHE N) -53.4 -33.4
 &rst     iat =   929,   931,   937,   939,
   r1 = -54.4, r2 = -53.4, r3 = -33.4, r4 = -32.4,
 &end

# 61 PHE PHI:  (60 CYM C)-(61 PHE N)-(61 PHE CA)-(61 PHE C) -80.1 -40.1
 &rst     iat =   937,   939,   941,   957,
   r1 = -81.1, r2 = -80.1, r3 = -40.1, r4 = -39.1,
 &end

# 61 PHE PSI:  (61 PHE N)-(61 PHE CA)-(61 PHE C)-(62 VAL N) -56.4 -36.4
 &rst     iat =   939,   941,   957,   959,
   r1 = -57.4, r2 = -56.4, r3 = -36.4, r4 = -35.4,
 &end

# 62 VAL PHI:  (61 PHE C)-(62 VAL N)-(62 VAL CA)-(62 VAL C) -83.0 -43.0
 &rst     iat =   957,   959,   961,   973,
   r1 = -84.0, r2 = -83.0, r3 = -43.0, r4 = -42.0,
 &end

# 62 VAL PSI:  (62 VAL N)-(62 VAL CA)-(62 VAL C)-(63 LYS N) -52.2 -32.2
 &rst     iat =   959,   961,   973,   975,
   r1 = -53.2, r2 = -52.2, r3 = -32.2, r4 = -31.2,
 &end

# 63 LYS PHI:  (62 VAL C)-(63 LYS N)-(63 LYS CA)-(63 LYS C) -88.9 -48.6
 &rst     iat =   973,   975,   977,   995,
   r1 = -89.9, r2 = -88.9, r3 = -48.6, r4 = -47.6,
 &end

# 63 LYS PSI:  (63 LYS N)-(63 LYS CA)-(63 LYS C)-(64 ASN N) -42.6 -16.6
 &rst     iat =   975,   977,   995,   997,
   r1 = -43.6, r2 = -42.6, r3 = -16.6, r4 = -15.6,
 &end

# 64 ASN PHI:  (63 LYS C)-(64 ASN N)-(64 ASN CA)-(64 ASN C) -139.9 -38.5
 &rst     iat =   995,   997,   999,  1009,
   r1 = -140.9, r2 = -139.9, r3 = -38.5, r4 = -37.5,
 &end

# 64 ASN PSI:  (64 ASN N)-(64 ASN CA)-(64 ASN C)-(65 ARG N) -38.9   0.4
 &rst     iat =   997,   999,  1009,  1011,
   r1 = -39.9, r2 = -38.9, r3 =   0.4, r4 =   1.4,
 &end

# 65 ARG PHI:  (64 ASN C)-(65 ARG N)-(65 ARG CA)-(65 ARG C) -75.0 -35.0
 &rst     iat =  1009,  1011,  1013,  1033,
   r1 = -76.0, r2 = -75.0, r3 = -35.0, r4 = -34.0,
 &end

# 65 ARG PSI:  (65 ARG N)-(65 ARG CA)-(65 ARG C)-(66 GLU N) -55.7 -35.7
 &rst     iat =  1011,  1013,  1033,  1035,
   r1 = -56.7, r2 = -55.7, r3 = -35.7, r4 = -34.7,
 &end

# 66 GLU PHI:  (65 ARG C)-(66 GLU N)-(66 GLU CA)-(66 GLU C) -85.4 -45.4
 &rst     iat =  1033,  1035,  1037,  1048,
   r1 = -86.4, r2 = -85.4, r3 = -45.4, r4 = -44.4,
 &end

# 66 GLU PSI:  (66 GLU N)-(66 GLU CA)-(66 GLU C)-(67 GLU N) -48.4 -28.4
 &rst     iat =  1035,  1037,  1048,  1050,
   r1 = -49.4, r2 = -48.4, r3 = -28.4, r4 = -27.4,
 &end

# 67 GLU PHI:  (66 GLU C)-(67 GLU N)-(67 GLU CA)-(67 GLU C) -83.5 -43.5
 &rst     iat =  1048,  1050,  1052,  1063,
   r1 = -84.5, r2 = -83.5, r3 = -43.5, r4 = -42.5,
 &end

# 67 GLU PSI:  (67 GLU N)-(67 GLU CA)-(67 GLU C)-(68 LEU N) -41.8 -21.8
 &rst     iat =  1050,  1052,  1063,  1065,
   r1 = -42.8, r2 = -41.8, r3 = -21.8, r4 = -20.8,
 &end

# 69 GLY PHI:  (68 LEU C)-(69 GLY N)-(69 GLY CA)-(69 GLY C)  70.1 113.2
 &rst     iat =  1082,  1084,  1086,  1089,
   r1 =  69.1, r2 =  70.1, r3 = 113.2, r4 = 114.2,
 &end

# 69 GLY PSI:  (69 GLY N)-(69 GLY CA)-(69 GLY C)-(70 PHE N)   0.3  21.3
 &rst     iat =  1084,  1086,  1089,  1091,
   r1 =  -0.7, r2 =   0.3, r3 =  21.3, r4 =  22.3,
 &end

# 70 PHE PHI:  (69 GLY C)-(70 PHE N)-(70 PHE CA)-(70 PHE C) -116.1 -52.4
 &rst     iat =  1089,  1091,  1093,  1109,
   r1 = -117.1, r2 = -116.1, r3 = -52.4, r4 = -51.4,
 &end

# 70 PHE PSI:  (70 PHE N)-(70 PHE CA)-(70 PHE C)-(71 ARG N) 103.5 142.3
 &rst     iat =  1091,  1093,  1109,  1111,
   r1 = 102.5, r2 = 103.5, r3 = 142.3, r4 = 143.3,
 &end

# 72 PRO PSI:  (72 PRO N)-(72 PRO CA)-(72 PRO C)-(73 GLU N) -47.0 -27.5
 &rst     iat =  1135,  1145,  1147,  1149,
   r1 = -48.0, r2 = -47.0, r3 = -27.5, r4 = -26.5,
 &end

# 75 SER PHI:  (74 TYR C)-(75 SER N)-(75 SER CA)-(75 SER C) -163.7 -55.8
 &rst     iat =  1183,  1185,  1187,  1194,
   r1 = -164.7, r2 = -163.7, r3 = -55.8, r4 = -54.8,
 &end

# 75 SER PSI:  (75 SER N)-(75 SER CA)-(75 SER C)-(76 ALA N) 149.5 176.0
 &rst     iat =  1185,  1187,  1194,  1196,
   r1 = 148.5, r2 = 149.5, r3 = 176.0, r4 = 177.0,
 &end

# 76 ALA PHI:  (75 SER C)-(76 ALA N)-(76 ALA CA)-(76 ALA C) -77.5 -37.5
 &rst     iat =  1194,  1196,  1198,  1204,
   r1 = -78.5, r2 = -77.5, r3 = -37.5, r4 = -36.5,
 &end

# 76 ALA PSI:  (76 ALA N)-(76 ALA CA)-(76 ALA C)-(77 SER N) -47.9 -24.0
 &rst     iat =  1196,  1198,  1204,  1206,
   r1 = -48.9, r2 = -47.9, r3 = -24.0, r4 = -23.0,
 &end

# 78 GLN PHI:  (77 SER C)-(78 GLN N)-(78 GLN CA)-(78 GLN C) -129.8 -54.2
 &rst     iat =  1215,  1217,  1219,  1232,
   r1 = -130.8, r2 = -129.8, r3 = -54.2, r4 = -53.2,
 &end

# 78 GLN PSI:  (78 GLN N)-(78 GLN CA)-(78 GLN C)-(79 LEU N) -32.4   0.5
 &rst     iat =  1217,  1219,  1232,  1234,
   r1 = -33.4, r2 = -32.4, r3 =   0.5, r4 =   1.5,
 &end

# 79 LEU PHI:  (78 GLN C)-(79 LEU N)-(79 LEU CA)-(79 LEU C) -158.3 -37.4
 &rst     iat =  1232,  1234,  1236,  1251,
   r1 = -159.3, r2 = -158.3, r3 = -37.4, r4 = -36.4,
 &end

# 79 LEU PSI:  (79 LEU N)-(79 LEU CA)-(79 LEU C)-(80 LYS N)  94.6 134.1
 &rst     iat =  1234,  1236,  1251,  1253,
   r1 =  93.6, r2 =  94.6, r3 = 134.1, r4 = 135.1,
 &end

# 80 LYS PHI:  (79 LEU C)-(80 LYS N)-(80 LYS CA)-(80 LYS C) -91.0 -35.4
 &rst     iat =  1251,  1253,  1255,  1273,
   r1 = -92.0, r2 = -91.0, r3 = -35.4, r4 = -34.4,
 &end

# 80 LYS PSI:  (80 LYS N)-(80 LYS CA)-(80 LYS C)-(81 GLY N) 122.6 142.6
 &rst     iat =  1253,  1255,  1273,  1275,
   r1 = 121.6, r2 = 122.6, r3 = 142.6, r4 = 143.6,
 &end

# 82 PHE PHI:  (81 GLY C)-(82 PHE N)-(82 PHE CA)-(82 PHE C) -71.0 -31.0
 &rst     iat =  1280,  1282,  1284,  1300,
   r1 = -72.0, r2 = -71.0, r3 = -31.0, r4 = -30.0,
 &end

# 82 PHE PSI:  (82 PHE N)-(82 PHE CA)-(82 PHE C)-(83 SER N) -58.1 -29.9
 &rst     iat =  1282,  1284,  1300,  1302,
   r1 = -59.1, r2 = -58.1, r3 = -29.9, r4 = -28.9,
 &end

# 83 SER PHI:  (82 PHE C)-(83 SER N)-(83 SER CA)-(83 SER C) -83.2 -43.2
 &rst     iat =  1300,  1302,  1304,  1311,
   r1 = -84.2, r2 = -83.2, r3 = -43.2, r4 = -42.2,
 &end

# 83 SER PSI:  (83 SER N)-(83 SER CA)-(83 SER C)-(84 LEU N) -45.8 -22.1
 &rst     iat =  1302,  1304,  1311,  1313,
   r1 = -46.8, r2 = -45.8, r3 = -22.1, r4 = -21.1,
 &end

# 84 LEU PHI:  (83 SER C)-(84 LEU N)-(84 LEU CA)-(84 LEU C) -123.7 -54.4
 &rst     iat =  1311,  1313,  1315,  1330,
   r1 = -124.7, r2 = -123.7, r3 = -54.4, r4 = -53.4,
 &end

# 84 LEU PSI:  (84 LEU N)-(84 LEU CA)-(84 LEU C)-(85 LEU N) -30.2  17.5
 &rst     iat =  1313,  1315,  1330,  1332,
   r1 = -31.2, r2 = -30.2, r3 =  17.5, r4 =  18.5,
 &end

# 86 ALA PHI:  (85 LEU C)-(86 ALA N)-(86 ALA CA)-(86 ALA C) -145.8 -31.8
 &rst     iat =  1349,  1351,  1353,  1359,
   r1 = -146.8, r2 = -145.8, r3 = -31.8, r4 = -30.8,
 &end

# 86 ALA PSI:  (86 ALA N)-(86 ALA CA)-(86 ALA C)-(87 THR N) 107.2 148.8
 &rst     iat =  1351,  1353,  1359,  1361,
   r1 = 106.2, r2 = 107.2, r3 = 148.8, r4 = 149.8,
 &end

# 87 THR PHI:  (86 ALA C)-(87 THR N)-(87 THR CA)-(87 THR C) -75.0 -35.0
 &rst     iat =  1359,  1361,  1363,  1373,
   r1 = -76.0, r2 = -75.0, r3 = -35.0, r4 = -34.0,
 &end

# 87 THR PSI:  (87 THR N)-(87 THR CA)-(87 THR C)-(88 GLU N) -58.0 -36.0
 &rst     iat =  1361,  1363,  1373,  1375,
   r1 = -59.0, r2 = -58.0, r3 = -36.0, r4 = -35.0,
 &end

# 88 GLU PHI:  (87 THR C)-(88 GLU N)-(88 GLU CA)-(88 GLU C) -78.5 -38.5
 &rst     iat =  1373,  1375,  1377,  1388,
   r1 = -79.5, r2 = -78.5, r3 = -38.5, r4 = -37.5,
 &end

# 88 GLU PSI:  (88 GLU N)-(88 GLU CA)-(88 GLU C)-(89 ASP N) -51.4 -31.4
 &rst     iat =  1375,  1377,  1388,  1390,
   r1 = -52.4, r2 = -51.4, r3 = -31.4, r4 = -30.4,
 &end

# 89 ASP PHI:  (88 GLU C)-(89 ASP N)-(89 ASP CA)-(89 ASP C) -84.5 -44.5
 &rst     iat =  1388,  1390,  1392,  1400,
   r1 = -85.5, r2 = -84.5, r3 = -44.5, r4 = -43.5,
 &end

# 89 ASP PSI:  (89 ASP N)-(89 ASP CA)-(89 ASP C)-(90 LYS N) -53.1 -33.1
 &rst     iat =  1390,  1392,  1400,  1402,
   r1 = -54.1, r2 = -53.1, r3 = -33.1, r4 = -32.1,
 &end

# 90 LYS PHI:  (89 ASP C)-(90 LYS N)-(90 LYS CA)-(90 LYS C) -79.5 -39.5
 &rst     iat =  1400,  1402,  1404,  1422,
   r1 = -80.5, r2 = -79.5, r3 = -39.5, r4 = -38.5,
 &end

# 90 LYS PSI:  (90 LYS N)-(90 LYS CA)-(90 LYS C)-(91 GLU N) -55.4 -35.4
 &rst     iat =  1402,  1404,  1422,  1424,
   r1 = -56.4, r2 = -55.4, r3 = -35.4, r4 = -34.4,
 &end

# 91 GLU PHI:  (90 LYS C)-(91 GLU N)-(91 GLU CA)-(91 GLU C) -81.0 -41.0
 &rst     iat =  1422,  1424,  1426,  1437,
   r1 = -82.0, r2 = -81.0, r3 = -41.0, r4 = -40.0,
 &end

# 91 GLU PSI:  (91 GLU N)-(91 GLU CA)-(91 GLU C)-(92 ALA N) -51.9 -31.9
 &rst     iat =  1424,  1426,  1437,  1439,
   r1 = -52.9, r2 = -51.9, r3 = -31.9, r4 = -30.9,
 &end

# 92 ALA PHI:  (91 GLU C)-(92 ALA N)-(92 ALA CA)-(92 ALA C) -84.2 -44.2
 &rst     iat =  1437,  1439,  1441,  1447,
   r1 = -85.2, r2 = -84.2, r3 = -44.2, r4 = -43.2,
 &end

# 92 ALA PSI:  (92 ALA N)-(92 ALA CA)-(92 ALA C)-(93 LEU N) -49.4 -29.4
 &rst     iat =  1439,  1441,  1447,  1449,
   r1 = -50.4, r2 = -49.4, r3 = -29.4, r4 = -28.4,
 &end

# 93 LEU PHI:  (92 ALA C)-(93 LEU N)-(93 LEU CA)-(93 LEU C) -85.7 -45.7
 &rst     iat =  1447,  1449,  1451,  1466,
   r1 = -86.7, r2 = -85.7, r3 = -45.7, r4 = -44.7,
 &end

# 93 LEU PSI:  (93 LEU N)-(93 LEU CA)-(93 LEU C)-(94 LYS N) -49.1 -29.1
 &rst     iat =  1449,  1451,  1466,  1468,
   r1 = -50.1, r2 = -49.1, r3 = -29.1, r4 = -28.1,
 &end

# 94 LYS PHI:  (93 LEU C)-(94 LYS N)-(94 LYS CA)-(94 LYS C) -81.0 -41.0
 &rst     iat =  1466,  1468,  1470,  1488,
   r1 = -82.0, r2 = -81.0, r3 = -41.0, r4 = -40.0,
 &end

# 94 LYS PSI:  (94 LYS N)-(94 LYS CA)-(94 LYS C)-(95 LYS N) -53.1 -32.2
 &rst     iat =  1468,  1470,  1488,  1490,
   r1 = -54.1, r2 = -53.1, r3 = -32.2, r4 = -31.2,
 &end

# 95 LYS PHI:  (94 LYS C)-(95 LYS N)-(95 LYS CA)-(95 LYS C) -88.7 -48.7
 &rst     iat =  1488,  1490,  1492,  1510,
   r1 = -89.7, r2 = -88.7, r3 = -48.7, r4 = -47.7,
 &end

# 95 LYS PSI:  (95 LYS N)-(95 LYS CA)-(95 LYS C)-(96 GLN N) -47.1 -27.1
 &rst     iat =  1490,  1492,  1510,  1512,
   r1 = -48.1, r2 = -47.1, r3 = -27.1, r4 = -26.1,
 &end

# 96 GLN PHI:  (95 LYS C)-(96 GLN N)-(96 GLN CA)-(96 GLN C) -100.5 -55.0
 &rst     iat =  1510,  1512,  1514,  1527,
   r1 = -101.5, r2 = -100.5, r3 = -55.0, r4 = -54.0,
 &end

# 96 GLN PSI:  (96 GLN N)-(96 GLN CA)-(96 GLN C)-(97 LEU N) -46.8 -19.5
 &rst     iat =  1512,  1514,  1527,  1529,
   r1 = -47.8, r2 = -46.8, r3 = -19.5, r4 = -18.5,
 &end

# 97 LEU PHI:  (96 GLN C)-(97 LEU N)-(97 LEU CA)-(97 LEU C) -152.7 -96.2
 &rst     iat =  1527,  1529,  1531,  1546,
   r1 = -153.7, r2 = -152.7, r3 = -96.2, r4 = -95.2,
 &end

# 97 LEU PSI:  (97 LEU N)-(97 LEU CA)-(97 LEU C)-(98 PRO N)  57.2  86.7
 &rst     iat =  1529,  1531,  1546,  1548,
   r1 =  56.2, r2 =  57.2, r3 =  86.7, r4 =  87.7,
 &end

# 98 PRO PSI:  (98 PRO N)-(98 PRO CA)-(98 PRO C)-(99 GLY N) 142.2 158.4
 &rst     iat =  1548,  1558,  1560,  1562,
   r1 = 141.2, r2 = 142.2, r3 = 158.4, r4 = 159.4,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -7.560  21.034  14.058
    2    H2   GLY   1           H2       GLY   1  -7.224  21.603  15.556
    3    H3   GLY   1           H3       GLY   1  -8.714  21.006  15.222
    4    HA2  GLY   1           2HA      GLY   1  -7.458  19.413  16.517
    5    HA3  GLY   1           3HA      GLY   1  -7.847  18.794  14.902
    6    H    SER   2           H        SER   2  -5.643  18.045  16.718
    7    HA   SER   2           HA       SER   2  -3.150  19.121  15.817
    8    HB2  SER   2           2HB      SER   2  -3.729  16.429  17.107
    9    HB3  SER   2           3HB      SER   2  -2.147  17.226  16.996
   10    HG   SER   2           HG       SER   2  -3.174  17.597  19.025
   11    H    LYS   3           H        LYS   3  -1.529  18.249  14.512
   12    HA   LYS   3           HA       LYS   3  -2.378  16.808  12.117
   13    HB2  LYS   3           2HB      LYS   3   0.358  17.768  13.056
   14    HB3  LYS   3           3HB      LYS   3   0.037  17.015  11.489
   15    HG2  LYS   3           2HG      LYS   3  -1.528  18.838  10.896
   16    HG3  LYS   3           3HG      LYS   3  -1.275  19.590  12.475
   17    HD2  LYS   3           2HD      LYS   3   0.033  20.774  10.850
   18    HD3  LYS   3           3HD      LYS   3   1.129  19.919  11.944
   19    HE2  LYS   3           2HE      LYS   3   1.432  18.129  10.245
   20    HE3  LYS   3           3HE      LYS   3   0.290  18.949   9.170
   21    HZ1  LYS   3           3HZ      LYS   3   1.833  20.836   9.086
   22    HZ2  LYS   3           1HZ      LYS   3   2.885  20.080  10.082
   23    HZ3  LYS   3           2HZ      LYS   3   2.590  19.478   8.595
   24    H    ALA   4           H        ALA   4  -1.630  14.826  11.350
   25    HA   ALA   4           HA       ALA   4  -1.256  12.763  13.386
   26    HB1  ALA   4           1HB      ALA   4  -2.786  12.438  11.483
   27    HB2  ALA   4           2HB      ALA   4  -1.419  12.578  10.350
   28    HB3  ALA   4           3HB      ALA   4  -1.498  11.220  11.491
   29    H    GLU   5           H        GLU   5   0.472  11.368  13.613
   30    HA   GLU   5           HA       GLU   5   3.068  12.111  12.300
   31    HB2  GLU   5           2HB      GLU   5   4.191  11.367  14.287
   32    HB3  GLU   5           3HB      GLU   5   2.991  12.593  14.690
   33    HG2  GLU   5           2HG      GLU   5   1.430  10.789  15.457
   34    HG3  GLU   5           3HG      GLU   5   2.660   9.582  15.081
   35    H    LYS   6           H        LYS   6   0.820   9.497  12.711
   36    HA   LYS   6           HA       LYS   6   2.731   7.384  11.990
   37    HB2  LYS   6           2HB      LYS   6   0.857   7.097  13.592
   38    HB3  LYS   6           3HB      LYS   6  -0.304   7.312  12.274
   39    HG2  LYS   6           2HG      LYS   6   0.537   5.300  11.147
   40    HG3  LYS   6           3HG      LYS   6   1.824   5.119  12.347
   41    HD2  LYS   6           2HD      LYS   6  -1.171   4.931  12.912
   42    HD3  LYS   6           3HD      LYS   6  -0.073   3.563  12.676
   43    HE2  LYS   6           2HE      LYS   6   1.300   4.404  14.627
   44    HE3  LYS   6           3HE      LYS   6   0.052   5.624  14.926
   45    HZ1  LYS   6           3HZ      LYS   6  -1.542   3.791  15.232
   46    HZ2  LYS   6           1HZ      LYS   6  -0.357   2.690  14.949
   47    HZ3  LYS   6           2HZ      LYS   6  -0.297   3.638  16.282
   48    H    THR   7           H        THR   7   0.578   9.493  10.252
   49    HA   THR   7           HA       THR   7   1.305   8.149   7.701
   50    HB   THR   7           HB       THR   7  -1.438   9.352   8.069
   51    HG1  THR   7           1HG      THR   7  -1.414   7.754   9.553
   52   HG21  THR   7          1HG2      THR   7  -0.578   7.088   6.241
   53   HG22  THR   7          2HG2      THR   7  -2.029   8.112   6.137
   54   HG23  THR   7          3HG2      THR   7  -0.451   8.752   5.735
   55    H    LEU   8           H        LEU   8   1.739   9.538   5.957
   56    HA   LEU   8           HA       LEU   8   1.894  12.402   6.462
   57    HB2  LEU   8           2HB      LEU   8   2.853  12.654   4.419
   58    HB3  LEU   8           3HB      LEU   8   3.347  11.029   4.851
   59    HG   LEU   8           HG       LEU   8   1.124  11.810   2.892
   60   HD11  LEU   8          1HD1      LEU   8   3.815  10.494   2.404
   61   HD12  LEU   8          2HD1      LEU   8   2.597  10.914   1.185
   62   HD13  LEU   8          3HD1      LEU   8   3.428  12.198   2.077
   63   HD21  LEU   8          3HD2      LEU   8   2.152   9.072   3.718
   64   HD22  LEU   8          1HD2      LEU   8   0.498   9.682   3.907
   65   HD23  LEU   8          2HD2      LEU   8   1.135   9.374   2.301
   66    H    GLY   9           H        GLY   9  -0.806  10.491   5.713
   67    HA2  GLY   9           2HA      GLY   9  -3.028  11.171   5.580
   68    HA3  GLY   9           3HA      GLY   9  -2.526  12.836   5.303
   69    H    ASP  10           H        ASP  10  -1.733   9.834   3.429
   70    HA   ASP  10           HA       ASP  10  -3.244  10.800   1.098
   71    HB2  ASP  10           2HB      ASP  10  -0.951  11.990   1.201
   72    HB3  ASP  10           3HB      ASP  10  -0.263  10.389   0.872
   73    H    PHE  11           H        PHE  11  -1.264   8.214   2.600
   74    HA   PHE  11           HA       PHE  11  -2.689   6.275   0.908
   75    HB2  PHE  11           2HB      PHE  11  -0.419   5.051   0.607
   76    HB3  PHE  11           3HB      PHE  11  -0.922   6.316  -0.464
   77    HD1  PHE  11           HD1      PHE  11   1.147   6.090   2.730
   78    HD2  PHE  11           HD2      PHE  11   0.636   7.797  -1.202
   79    HE1  PHE  11           HE1      PHE  11   3.434   7.024   2.832
   80    HE2  PHE  11           HE2      PHE  11   2.888   8.813  -1.045
   81    HZ   PHE  11           HZ       PHE  11   4.299   8.398   0.958
   82    H    ALA  12           H        ALA  12  -2.657   4.106   1.605
   83    HA   ALA  12           HA       ALA  12  -2.524   3.830   4.574
   84    HB1  ALA  12           1HB      ALA  12  -4.812   2.961   4.501
   85    HB2  ALA  12           2HB      ALA  12  -4.768   4.587   3.776
   86    HB3  ALA  12           3HB      ALA  12  -4.853   3.152   2.740
   87    H    ALA  13           H        ALA  13  -2.559   1.701   5.418
   88    HA   ALA  13           HA       ALA  13  -2.132  -0.578   3.542
   89    HB1  ALA  13           1HB      ALA  13  -0.489   0.097   6.028
   90    HB2  ALA  13           2HB      ALA  13  -0.238  -1.273   4.915
   91    HB3  ALA  13           3HB      ALA  13   0.023   0.394   4.357
   92    H    GLU  14           H        GLU  14  -3.157  -2.460   4.138
   93    HA   GLU  14           HA       GLU  14  -3.826  -3.054   6.930
   94    HB2  GLU  14           2HB      GLU  14  -6.240  -3.370   6.488
   95    HB3  GLU  14           3HB      GLU  14  -5.749  -1.685   6.404
   96    HG2  GLU  14           2HG      GLU  14  -5.810  -1.733   3.948
   97    HG3  GLU  14           3HG      GLU  14  -6.138  -3.468   3.964
   98    H    TYR  15           H        TYR  15  -4.871  -5.307   7.084
   99    HA   TYR  15           HA       TYR  15  -4.012  -7.152   4.947
  100    HB2  TYR  15           2HB      TYR  15  -5.940  -7.583   7.243
  101    HB3  TYR  15           3HB      TYR  15  -5.275  -8.823   6.189
  102    HD1  TYR  15           HD2      TYR  15  -2.304  -7.579   6.280
  103    HD2  TYR  15           HD1      TYR  15  -5.258  -8.700   9.232
  104    HE1  TYR  15           HE2      TYR  15  -0.490  -8.108   7.899
  105    HE2  TYR  15           HE1      TYR  15  -3.444  -9.198  10.850
  106    HH   TYR  15           HH       TYR  15  -1.218  -9.330  11.195
  107    H    ALA  16           H        ALA  16  -5.199  -7.915   3.314
  108    HA   ALA  16           HA       ALA  16  -7.540  -6.602   2.392
  109    HB1  ALA  16           1HB      ALA  16  -6.265  -9.233   1.637
  110    HB2  ALA  16           2HB      ALA  16  -7.480  -8.368   0.665
  111    HB3  ALA  16           3HB      ALA  16  -5.876  -7.652   0.939
  112    H    LYS  17           H        LYS  17  -9.229  -6.636   3.837
  113    HA   LYS  17           HA       LYS  17 -10.289  -8.972   5.119
  114    HB2  LYS  17           2HB      LYS  17 -10.628  -6.580   5.796
  115    HB3  LYS  17           3HB      LYS  17 -11.632  -6.332   4.373
  116    HG2  LYS  17           2HG      LYS  17 -12.986  -6.571   6.365
  117    HG3  LYS  17           3HG      LYS  17 -13.321  -7.899   5.260
  118    HD2  LYS  17           2HD      LYS  17 -11.931  -9.421   6.633
  119    HD3  LYS  17           3HD      LYS  17 -11.477  -8.066   7.693
  120    HE2  LYS  17           2HE      LYS  17 -13.881  -7.749   8.276
  121    HE3  LYS  17           3HE      LYS  17 -14.310  -9.116   7.241
  122    HZ1  LYS  17           3HZ      LYS  17 -12.962 -10.546   8.692
  123    HZ2  LYS  17           1HZ      LYS  17 -12.568  -9.278   9.647
  124    HZ3  LYS  17           2HZ      LYS  17 -14.114  -9.791   9.566
  125    H    SER  18           H        SER  18 -10.508  -7.929   1.861
  126    HA   SER  18           HA       SER  18 -12.462 -10.035   1.140
  127    HB2  SER  18           2HB      SER  18 -13.730  -8.395  -0.201
  128    HB3  SER  18           3HB      SER  18 -13.744  -7.970   1.515
  129    HG   SER  18           HG       SER  18 -13.292  -6.136   0.276
  130    H    ASN  19           H        ASN  19 -12.426 -10.610  -1.098
  131    HA   ASN  19           HA       ASN  19  -9.972  -9.959  -2.623
  132    HB2  ASN  19           2HB      ASN  19 -10.727 -12.292  -2.405
  133    HB3  ASN  19           3HB      ASN  19 -12.273 -11.883  -3.152
  134   HD21  ASN  19          2HD2      ASN  19  -8.783 -11.242  -4.022
  135   HD22  ASN  19          1HD2      ASN  19  -8.941 -12.052  -5.569
  136    H    ARG  20           H        ARG  20 -12.566  -8.192  -2.080
  137    HA   ARG  20           HA       ARG  20 -13.508  -7.500  -4.774
  138    HB2  ARG  20           2HB      ARG  20 -13.958  -6.225  -2.038
  139    HB3  ARG  20           3HB      ARG  20 -14.772  -5.726  -3.517
  140    HG2  ARG  20           2HG      ARG  20 -15.034  -8.473  -2.213
  141    HG3  ARG  20           3HG      ARG  20 -16.194  -7.147  -2.104
  142    HD2  ARG  20           2HD      ARG  20 -16.488  -7.222  -4.581
  143    HD3  ARG  20           3HD      ARG  20 -15.398  -8.625  -4.645
  144    HE   ARG  20           HE       ARG  20 -17.438  -9.203  -2.765
  145   HH11  ARG  20          1HH2      ARG  20 -17.216  -8.762  -6.234
  146   HH12  ARG  20          2HH2      ARG  20 -18.585  -9.795  -6.544
  147   HH21  ARG  20          1HH1      ARG  20 -19.175 -10.508  -3.231
  148   HH22  ARG  20          2HH1      ARG  20 -19.660 -10.754  -4.883
  149    H    SER  21           H        SER  21 -10.910  -6.420  -2.735
  150    HA   SER  21           HA       SER  21 -10.386  -3.963  -4.235
  151    HB2  SER  21           2HB      SER  21  -8.124  -4.145  -3.121
  152    HB3  SER  21           3HB      SER  21  -9.513  -3.997  -2.036
  153    HG   SER  21           HG       SER  21  -8.408  -6.519  -2.767
  154    H    THR  22           H        THR  22  -9.064  -3.697  -5.958
  155    HA   THR  22           HA       THR  22  -7.631  -6.046  -7.122
  156    HB   THR  22           HB       THR  22  -9.232  -3.997  -8.656
  157    HG1  THR  22           1HG      THR  22 -10.631  -5.686  -9.090
  158   HG21  THR  22          1HG2      THR  22  -7.921  -6.536  -9.696
  159   HG22  THR  22          2HG2      THR  22  -8.859  -5.368 -10.638
  160   HG23  THR  22          3HG2      THR  22  -7.295  -4.892  -9.969
  161    H    CYS  23           HN       CYS  23  -5.628  -5.616  -7.898
  162    HA   CYS  23           HA       CYS  23  -4.390  -3.180  -6.978
  163    HB2  CYS  23           2HB      CYS  23  -3.280  -5.277  -6.724
  164    HB3  CYS  23           3HB      CYS  23  -3.522  -5.667  -8.428
  165    H    LYS  24           H        LYS  24  -4.585  -1.346  -8.106
  166    HA   LYS  24           HA       LYS  24  -4.877  -1.199 -11.025
  167    HB2  LYS  24           2HB      LYS  24  -4.573   0.752  -8.735
  168    HB3  LYS  24           3HB      LYS  24  -4.357   1.295 -10.401
  169    HG2  LYS  24           2HG      LYS  24  -6.628   1.681  -9.813
  170    HG3  LYS  24           3HG      LYS  24  -6.582   0.415 -11.023
  171    HD2  LYS  24           2HD      LYS  24  -7.161  -1.268  -9.391
  172    HD3  LYS  24           3HD      LYS  24  -6.801  -0.175  -8.048
  173    HE2  LYS  24           2HE      LYS  24  -9.187  -0.384  -8.235
  174    HE3  LYS  24           3HE      LYS  24  -8.713   1.261  -8.660
  175    HZ1  LYS  24           3HZ      LYS  24  -8.953   0.636 -11.022
  176    HZ2  LYS  24           1HZ      LYS  24  -9.418  -0.881 -10.602
  177    HZ3  LYS  24           2HZ      LYS  24 -10.348   0.397 -10.216
  178    H    GLY  25           H        GLY  25  -2.222  -1.723  -9.008
  179    HA2  GLY  25           2HA      GLY  25  -0.136  -0.500 -10.628
  180    HA3  GLY  25           3HA      GLY  25   0.068  -1.719  -9.369
  181    H    CYS  26           HN       CYS  26  -1.724  -3.662 -10.726
  182    HA   CYS  26           HA       CYS  26  -0.328  -4.153 -13.286
  183    HB2  CYS  26           2HB      CYS  26   0.291  -6.405 -12.793
  184    HB3  CYS  26           3HB      CYS  26   0.990  -5.338 -11.575
  185    H    MET  27           H        MET  27  -3.291  -4.058 -11.817
  186    HA   MET  27           HA       MET  27  -5.356  -4.653 -12.316
  187    HB2  MET  27           2HB      MET  27  -4.333  -5.018 -15.136
  188    HB3  MET  27           3HB      MET  27  -6.035  -5.013 -14.690
  189    HG2  MET  27           2HG      MET  27  -4.324  -2.657 -13.887
  190    HG3  MET  27           3HG      MET  27  -4.804  -2.847 -15.560
  191    HE1  MET  27           3HE      MET  27  -7.352  -3.797 -12.482
  192    HE2  MET  27           1HE      MET  27  -6.161  -2.617 -11.889
  193    HE3  MET  27           2HE      MET  27  -7.857  -2.137 -12.126
  194    H    GLU  28           H        GLU  28  -4.350  -6.399 -10.826
  195    HA   GLU  28           HA       GLU  28  -5.839  -8.815 -11.651
  196    HB2  GLU  28           2HB      GLU  28  -3.087  -8.953 -10.341
  197    HB3  GLU  28           3HB      GLU  28  -4.240 -10.283 -10.454
  198    HG2  GLU  28           2HG      GLU  28  -4.199  -9.980 -12.987
  199    HG3  GLU  28           3HG      GLU  28  -2.834  -8.883 -12.755
  200    H    LYS  29           H        LYS  29  -6.791  -9.932  -9.805
  201    HA   LYS  29           HA       LYS  29  -7.661  -7.951  -7.875
  202    HB2  LYS  29           2HB      LYS  29  -8.306 -10.900  -7.844
  203    HB3  LYS  29           3HB      LYS  29  -9.083  -9.595  -6.920
  204    HG2  LYS  29           2HG      LYS  29  -9.834  -8.548  -9.050
  205    HG3  LYS  29           3HG      LYS  29  -9.222  -9.951  -9.941
  206    HD2  LYS  29           2HD      LYS  29 -11.279 -10.085  -7.686
  207    HD3  LYS  29           3HD      LYS  29 -11.700 -10.017  -9.401
  208    HE2  LYS  29           2HE      LYS  29 -10.707 -12.141  -9.863
  209    HE3  LYS  29           3HE      LYS  29  -9.874 -12.191  -8.306
  210    HZ1  LYS  29           3HZ      LYS  29 -11.887 -13.583  -8.351
  211    HZ2  LYS  29           1HZ      LYS  29 -11.948 -12.451  -7.180
  212    HZ3  LYS  29           2HZ      LYS  29 -12.827 -12.263  -8.562
  213    H    ILE  30           H        ILE  30  -7.324  -7.777  -5.740
  214    HA   ILE  30           HA       ILE  30  -4.796  -8.878  -4.739
  215    HB   ILE  30           HB       ILE  30  -6.780  -6.821  -3.808
  216   HG12  ILE  30          2HG1      ILE  30  -3.794  -6.547  -4.313
  217   HG13  ILE  30          3HG1      ILE  30  -4.950  -6.481  -5.635
  218   HG21  ILE  30          1HG2      ILE  30  -4.332  -7.653  -2.218
  219   HG22  ILE  30          2HG2      ILE  30  -5.477  -6.327  -1.888
  220   HG23  ILE  30          3HG2      ILE  30  -6.020  -7.987  -1.743
  221   HD11  ILE  30          3HD1      ILE  30  -4.388  -4.252  -4.955
  222   HD12  ILE  30          1HD1      ILE  30  -6.090  -4.567  -4.597
  223   HD13  ILE  30          2HD1      ILE  30  -4.883  -4.565  -3.280
  224    H    GLU  31           H        GLU  31  -4.515 -10.461  -3.295
  225    HA   GLU  31           HA       GLU  31  -6.703 -12.310  -2.875
  226    HB2  GLU  31           2HB      GLU  31  -3.807 -12.303  -1.936
  227    HB3  GLU  31           3HB      GLU  31  -4.925 -13.640  -1.672
  228    HG2  GLU  31           2HG      GLU  31  -4.098 -12.592  -4.415
  229    HG3  GLU  31           3HG      GLU  31  -3.353 -13.948  -3.581
  230    H    LYS  32           H        LYS  32  -7.817 -12.771  -1.110
  231    HA   LYS  32           HA       LYS  32  -7.973 -10.954   1.126
  232    HB2  LYS  32           2HB      LYS  32  -9.881 -12.265   0.235
  233    HB3  LYS  32           3HB      LYS  32  -9.115 -13.759   0.796
  234    HG2  LYS  32           2HG      LYS  32  -9.267 -12.955   3.146
  235    HG3  LYS  32           3HG      LYS  32  -9.998 -11.439   2.577
  236    HD2  LYS  32           2HD      LYS  32 -11.912 -12.672   1.680
  237    HD3  LYS  32           3HD      LYS  32 -11.159 -14.216   2.149
  238    HE2  LYS  32           2HE      LYS  32 -11.213 -13.529   4.528
  239    HE3  LYS  32           3HE      LYS  32 -11.947 -11.986   4.078
  240    HZ1  LYS  32           3HZ      LYS  32 -13.622 -13.591   4.800
  241    HZ2  LYS  32           1HZ      LYS  32 -13.872 -13.217   3.233
  242    HZ3  LYS  32           2HZ      LYS  32 -13.193 -14.650   3.636
  243    H    GLY  33           H        GLY  33  -7.350 -11.179   3.215
  244    HA2  GLY  33           2HA      GLY  33  -6.289 -11.972   5.109
  245    HA3  GLY  33           3HA      GLY  33  -6.029 -13.518   4.305
  246    H    GLN  34           H        GLN  34  -4.670 -10.958   2.499
  247    HA   GLN  34           HA       GLN  34  -2.080 -10.958   3.943
  248    HB2  GLN  34           2HB      GLN  34  -0.802 -11.211   1.901
  249    HB3  GLN  34           3HB      GLN  34  -1.807 -12.608   2.222
  250    HG2  GLN  34           2HG      GLN  34  -1.915 -12.294  -0.108
  251    HG3  GLN  34           3HG      GLN  34  -3.462 -11.738   0.496
  252   HE21  GLN  34          1HE2      GLN  34  -4.057  -9.549  -0.023
  253   HE22  GLN  34          2HE2      GLN  34  -2.849  -8.364  -0.549
  254    H    VAL  35           H        VAL  35  -0.632  -9.067   2.998
  255    HA   VAL  35           HA       VAL  35  -2.126  -6.741   3.700
  256    HB   VAL  35           HB       VAL  35   0.681  -7.017   2.595
  257   HG11  VAL  35          1HG1      VAL  35  -0.662  -4.576   3.847
  258   HG12  VAL  35          2HG1      VAL  35   1.083  -4.753   3.558
  259   HG13  VAL  35          3HG1      VAL  35  -0.021  -4.697   2.193
  260   HG21  VAL  35          3HG2      VAL  35   0.291  -8.082   4.813
  261   HG22  VAL  35          1HG2      VAL  35   1.341  -6.670   4.925
  262   HG23  VAL  35          2HG2      VAL  35  -0.356  -6.540   5.422
  263    H    ARG  36           H        ARG  36  -2.956  -5.054   2.646
  264    HA   ARG  36           HA       ARG  36  -2.445  -4.679  -0.243
  265    HB2  ARG  36           2HB      ARG  36  -4.712  -4.176  -0.762
  266    HB3  ARG  36           3HB      ARG  36  -4.580  -5.797  -0.063
  267    HG2  ARG  36           2HG      ARG  36  -5.574  -5.082   2.018
  268    HG3  ARG  36           3HG      ARG  36  -5.582  -3.397   1.497
  269    HD2  ARG  36           2HD      ARG  36  -7.117  -3.959  -0.374
  270    HD3  ARG  36           3HD      ARG  36  -7.104  -5.653   0.126
  271    HE   ARG  36           HE       ARG  36  -7.984  -3.711   2.188
  272   HH11  ARG  36          1HH2      ARG  36  -9.240  -5.844  -0.344
  273   HH12  ARG  36          2HH2      ARG  36 -10.787  -5.958   0.453
  274   HH21  ARG  36          1HH1      ARG  36  -9.851  -3.847   3.031
  275   HH22  ARG  36          2HH1      ARG  36 -11.179  -4.752   2.288
  276    H    LEU  37           H        LEU  37  -2.113  -2.626  -0.879
  277    HA   LEU  37           HA       LEU  37  -2.256  -0.480   1.181
  278    HB2  LEU  37           2HB      LEU  37  -0.387  -0.475  -1.204
  279    HB3  LEU  37           3HB      LEU  37  -0.424   0.591   0.221
  280    HG   LEU  37           HG       LEU  37   1.482  -0.593   0.461
  281   HD11  LEU  37          1HD1      LEU  37   0.068  -0.463   2.438
  282   HD12  LEU  37          2HD1      LEU  37  -0.438  -2.148   2.208
  283   HD13  LEU  37          3HD1      LEU  37   1.272  -1.768   2.512
  284   HD21  LEU  37          3HD2      LEU  37   1.777  -2.973   0.377
  285   HD22  LEU  37          1HD2      LEU  37   0.066  -3.262   0.040
  286   HD23  LEU  37          2HD2      LEU  37   1.072  -2.419  -1.160
  287    H    SER  38           H        SER  38  -2.808   1.666   0.422
  288    HA   SER  38           HA       SER  38  -3.671   1.912  -2.372
  289    HB2  SER  38           2HB      SER  38  -5.851   2.919  -1.796
  290    HB3  SER  38           3HB      SER  38  -5.743   1.232  -1.293
  291    HG   SER  38           HG       SER  38  -6.588   2.354   0.417
  292    H    LYS  39           H        LYS  39  -3.992   4.061  -3.117
  293    HA   LYS  39           HA       LYS  39  -2.978   6.255  -1.336
  294    HB2  LYS  39           2HB      LYS  39  -1.261   6.055  -2.951
  295    HB3  LYS  39           3HB      LYS  39  -2.405   5.789  -4.276
  296    HG2  LYS  39           2HG      LYS  39  -3.110   8.043  -4.313
  297    HG3  LYS  39           3HG      LYS  39  -2.372   8.400  -2.735
  298    HD2  LYS  39           2HD      LYS  39  -0.178   8.402  -3.629
  299    HD3  LYS  39           3HD      LYS  39  -0.712   7.691  -5.158
  300    HE2  LYS  39           2HE      LYS  39  -0.221  10.110  -5.342
  301    HE3  LYS  39           3HE      LYS  39  -1.856   9.682  -5.830
  302    HZ1  LYS  39           3HZ      LYS  39  -1.167  10.777  -3.158
  303    HZ2  LYS  39           1HZ      LYS  39  -1.728  11.693  -4.392
  304    HZ3  LYS  39           2HZ      LYS  39  -2.677  10.541  -3.711
  305    H    LYS  40           H        LYS  40  -4.130   8.131  -1.266
  306    HA   LYS  40           HA       LYS  40  -6.795   8.166  -2.567
  307    HB2  LYS  40           2HB      LYS  40  -6.903   8.749  -0.339
  308    HB3  LYS  40           3HB      LYS  40  -5.536   9.828  -0.402
  309    HG2  LYS  40           2HG      LYS  40  -8.123  10.325  -1.991
  310    HG3  LYS  40           3HG      LYS  40  -7.964  10.780  -0.302
  311    HD2  LYS  40           2HD      LYS  40  -6.492  11.966  -2.661
  312    HD3  LYS  40           3HD      LYS  40  -7.561  12.758  -1.511
  313    HE2  LYS  40           2HE      LYS  40  -5.862  12.404   0.290
  314    HE3  LYS  40           3HE      LYS  40  -4.801  11.616  -0.891
  315    HZ1  LYS  40           3HZ      LYS  40  -4.164  13.886  -0.607
  316    HZ2  LYS  40           1HZ      LYS  40  -4.689  13.679  -2.124
  317    HZ3  LYS  40           2HZ      LYS  40  -5.646  14.450  -1.028
  318    H    MET  41           H        MET  41  -6.969   8.887  -4.559
  319    HA   MET  41           HA       MET  41  -5.982  11.486  -5.327
  320    HB2  MET  41           2HB      MET  41  -4.650  10.837  -7.283
  321    HB3  MET  41           3HB      MET  41  -3.894  10.350  -5.778
  322    HG2  MET  41           2HG      MET  41  -4.822   8.029  -6.123
  323    HG3  MET  41           3HG      MET  41  -5.419   8.562  -7.700
  324    HE1  MET  41           3HE      MET  41  -2.595   6.186  -8.667
  325    HE2  MET  41           1HE      MET  41  -3.776   6.078  -7.333
  326    HE3  MET  41           2HE      MET  41  -4.281   6.719  -8.916
  327    H    VAL  42           H        VAL  42  -7.072  12.291  -7.233
  328    HA   VAL  42           HA       VAL  42  -9.391  10.940  -8.129
  329    HB   VAL  42           HB       VAL  42  -9.230  13.300  -8.371
  330   HG11  VAL  42          1HG1      VAL  42  -7.055  12.898 -10.464
  331   HG12  VAL  42          2HG1      VAL  42  -7.837  14.427 -10.027
  332   HG13  VAL  42          3HG1      VAL  42  -6.818  13.595  -8.847
  333   HG21  VAL  42          3HG2      VAL  42  -9.319  12.066 -11.140
  334   HG22  VAL  42          1HG2      VAL  42 -10.644  11.995  -9.954
  335   HG23  VAL  42          2HG2      VAL  42 -10.109  13.559 -10.593
  336    H    ASP  43           H        ASP  43  -9.773   9.395  -9.602
  337    HA   ASP  43           HA       ASP  43  -7.603   7.788 -10.560
  338    HB2  ASP  43           2HB      ASP  43  -9.898   6.996  -9.941
  339    HB3  ASP  43           3HB      ASP  43 -10.528   7.755 -11.401
  340    HA   PRO  44           HA       PRO  44  -6.970  10.434 -14.126
  341    HB2  PRO  44           2HB      PRO  44  -4.764   9.225 -15.244
  342    HB3  PRO  44           3HB      PRO  44  -4.689  10.130 -13.700
  343    HG2  PRO  44           2HG      PRO  44  -5.015   7.126 -14.071
  344    HG3  PRO  44           3HG      PRO  44  -3.832   7.986 -13.029
  345    HD2  PRO  44           2HD      PRO  44  -6.161   7.004 -12.058
  346    HD3  PRO  44           3HD      PRO  44  -5.488   8.556 -11.468
  347    H    GLU  45           H        GLU  45  -7.913   7.124 -14.299
  348    HA   GLU  45           HA       GLU  45  -8.293   7.161 -17.262
  349    HB2  GLU  45           2HB      GLU  45  -8.588   4.935 -15.209
  350    HB3  GLU  45           3HB      GLU  45  -8.872   4.772 -16.940
  351    HG2  GLU  45           2HG      GLU  45  -6.552   5.239 -17.459
  352    HG3  GLU  45           3HG      GLU  45  -6.190   5.668 -15.789
  353    H    LYS  46           H        LYS  46  -9.971   7.707 -14.313
  354    HA   LYS  46           HA       LYS  46 -12.390   8.472 -15.791
  355    HB2  LYS  46           2HB      LYS  46 -13.900   7.286 -14.137
  356    HB3  LYS  46           3HB      LYS  46 -13.156   6.336 -15.423
  357    HG2  LYS  46           2HG      LYS  46 -11.433   5.511 -13.746
  358    HG3  LYS  46           3HG      LYS  46 -12.311   6.391 -12.491
  359    HD2  LYS  46           2HD      LYS  46 -12.979   4.098 -12.400
  360    HD3  LYS  46           3HD      LYS  46 -14.352   5.009 -13.059
  361    HE2  LYS  46           2HE      LYS  46 -13.674   4.330 -15.361
  362    HE3  LYS  46           3HE      LYS  46 -12.282   3.470 -14.699
  363    HZ1  LYS  46           3HZ      LYS  46 -15.129   2.802 -14.137
  364    HZ2  LYS  46           1HZ      LYS  46 -14.143   1.962 -15.128
  365    HZ3  LYS  46           2HZ      LYS  46 -13.843   1.998 -13.525
  366    HA   PRO  47           HA       PRO  47 -11.016  11.218 -12.376
  367    HB2  PRO  47           2HB      PRO  47 -11.568  13.391 -14.364
  368    HB3  PRO  47           3HB      PRO  47 -10.169  13.179 -13.256
  369    HG2  PRO  47           2HG      PRO  47  -9.931  12.650 -15.911
  370    HG3  PRO  47           3HG      PRO  47  -9.143  11.612 -14.682
  371    HD2  PRO  47           2HD      PRO  47 -11.751  11.139 -16.146
  372    HD3  PRO  47           3HD      PRO  47 -10.397  10.013 -15.853
  373    H    GLN  48           H        GLN  48 -13.907  11.072 -14.253
  374    HA   GLN  48           HA       GLN  48 -15.564  13.011 -13.049
  375    HB2  GLN  48           2HB      GLN  48 -16.338  10.294 -14.216
  376    HB3  GLN  48           3HB      GLN  48 -17.416  11.644 -13.903
  377    HG2  GLN  48           2HG      GLN  48 -17.066  11.826 -16.174
  378    HG3  GLN  48           3HG      GLN  48 -15.970  13.033 -15.519
  379   HE21  GLN  48          2HE2      GLN  48 -15.258  12.562 -17.960
  380   HE22  GLN  48          1HE2      GLN  48 -13.988  11.353 -18.106
  381    H    LEU  49           H        LEU  49 -14.633   9.820 -11.745
  382    HA   LEU  49           HA       LEU  49 -16.692  10.051  -9.631
  383    HB2  LEU  49           2HB      LEU  49 -15.889   7.892  -8.821
  384    HB3  LEU  49           3HB      LEU  49 -16.565   7.894 -10.438
  385    HG   LEU  49           HG       LEU  49 -14.399   7.570 -11.449
  386   HD11  LEU  49          1HD1      LEU  49 -12.388   7.127  -9.954
  387   HD12  LEU  49          2HD1      LEU  49 -12.863   8.820 -10.069
  388   HD13  LEU  49          3HD1      LEU  49 -13.306   7.876  -8.633
  389   HD21  LEU  49          3HD2      LEU  49 -13.846   5.367 -10.468
  390   HD22  LEU  49          1HD2      LEU  49 -14.792   5.766  -9.024
  391   HD23  LEU  49          2HD2      LEU  49 -15.598   5.597 -10.600
  392    H    GLY  50           H        GLY  50 -13.616  11.347 -10.024
  393    HA2  GLY  50           2HA      GLY  50 -12.572  12.823  -8.591
  394    HA3  GLY  50           3HA      GLY  50 -13.745  12.431  -7.338
  395    H    MET  51           H        MET  51 -11.857  12.590  -5.938
  396    HA   MET  51           HA       MET  51  -9.633  10.919  -6.048
  397    HB2  MET  51           2HB      MET  51 -10.719  12.067  -3.473
  398    HB3  MET  51           3HB      MET  51  -9.050  11.728  -3.929
  399    HG2  MET  51           2HG      MET  51  -9.559  13.512  -5.853
  400    HG3  MET  51           3HG      MET  51 -10.871  13.986  -4.778
  401    HE1  MET  51           3HE      MET  51  -6.362  14.561  -4.295
  402    HE2  MET  51           1HE      MET  51  -7.124  12.983  -4.631
  403    HE3  MET  51           2HE      MET  51  -7.294  14.309  -5.794
  404    H    ILE  52           H        ILE  52  -9.392   8.808  -5.744
  405    HA   ILE  52           HA       ILE  52 -11.323   7.383  -3.976
  406    HB   ILE  52           HB       ILE  52 -10.858   5.363  -5.385
  407   HG12  ILE  52          2HG1      ILE  52  -9.953   7.231  -7.598
  408   HG13  ILE  52          3HG1      ILE  52  -8.774   6.483  -6.520
  409   HG21  ILE  52          1HG2      ILE  52 -12.484   5.994  -7.131
  410   HG22  ILE  52          2HG2      ILE  52 -12.937   6.551  -5.505
  411   HG23  ILE  52          3HG2      ILE  52 -12.266   7.700  -6.690
  412   HD11  ILE  52          3HD1      ILE  52 -10.772   4.952  -8.222
  413   HD12  ILE  52          1HD1      ILE  52  -9.029   5.111  -8.489
  414   HD13  ILE  52          2HD1      ILE  52  -9.622   4.243  -7.058
  415    H    ASP  53           H        ASP  53 -10.561   5.478  -3.011
  416    HA   ASP  53           HA       ASP  53  -7.723   5.604  -2.118
  417    HB2  ASP  53           2HB      ASP  53 -10.073   3.910  -1.174
  418    HB3  ASP  53           3HB      ASP  53  -8.428   3.775  -0.560
  419    H    ARG  54           H        ARG  54  -6.852   5.046  -4.180
  420    HA   ARG  54           HA       ARG  54  -7.801   2.742  -5.693
  421    HB2  ARG  54           2HB      ARG  54  -6.735   5.052  -6.413
  422    HB3  ARG  54           3HB      ARG  54  -5.199   4.201  -6.245
  423    HG2  ARG  54           2HG      ARG  54  -5.712   2.682  -7.989
  424    HG3  ARG  54           3HG      ARG  54  -7.449   3.088  -7.944
  425    HD2  ARG  54           2HD      ARG  54  -6.721   5.510  -8.526
  426    HD3  ARG  54           3HD      ARG  54  -5.167   4.787  -8.981
  427    HE   ARG  54           HE       ARG  54  -7.833   4.429 -10.298
  428   HH11  ARG  54          1HH2      ARG  54  -4.371   3.841 -10.626
  429   HH12  ARG  54          2HH2      ARG  54  -4.560   3.551 -12.343
  430   HH21  ARG  54          1HH1      ARG  54  -7.904   4.257 -12.376
  431   HH22  ARG  54          2HH1      ARG  54  -6.525   3.678 -13.314
  432    H    TRP  55           H        TRP  55  -7.212   0.660  -5.350
  433    HA   TRP  55           HA       TRP  55  -5.140   0.098  -3.380
  434    HB2  TRP  55           2HB      TRP  55  -7.116  -1.738  -4.746
  435    HB3  TRP  55           3HB      TRP  55  -5.996  -2.215  -3.479
  436    HD1  TRP  55           HD1      TRP  55  -9.305  -0.497  -4.004
  437    HE1  TRP  55           HE1      TRP  55 -10.395   0.079  -1.767
  438    HE3  TRP  55           HE3      TRP  55  -5.382  -1.582  -0.861
  439    HZ2  TRP  55           HZ2      TRP  55  -9.641   0.200   1.006
  440    HZ3  TRP  55           HZ3      TRP  55  -5.565  -1.076   1.557
  441    HH2  TRP  55           HH2      TRP  55  -7.685  -0.201   2.505
  442    H    TYR  56           H        TYR  56  -3.501  -1.346  -3.509
  443    HA   TYR  56           HA       TYR  56  -2.359  -2.294  -6.061
  444    HB2  TYR  56           2HB      TYR  56  -1.021  -0.445  -4.032
  445    HB3  TYR  56           3HB      TYR  56  -0.203  -1.229  -5.377
  446    HD1  TYR  56           HD1      TYR  56  -0.665  -0.576  -7.687
  447    HD2  TYR  56           HD2      TYR  56  -2.417   1.563  -4.411
  448    HE1  TYR  56           HE1      TYR  56  -1.267   1.290  -9.241
  449    HE2  TYR  56           HE2      TYR  56  -3.057   3.408  -5.955
  450    HH   TYR  56           HH       TYR  56  -2.273   3.299  -9.455
  451    H    HIS  57           H        HIS  57  -0.818  -3.938  -5.784
  452    HA   HIS  57           HA       HIS  57  -0.889  -5.603  -3.385
  453    HB2  HIS  57           2HB      HIS  57   0.899  -5.739  -5.811
  454    HB3  HIS  57           3HB      HIS  57   0.994  -6.874  -4.500
  455    HD2  HIS  57           HD2      HIS  57  -1.445  -8.235  -3.919
  456    HE1  HIS  57           HE1      HIS  57  -2.617  -8.295  -8.006
  457    HE2  HIS  57           HE2      HIS  57  -2.987  -9.357  -5.748
  458    HA   PRO  58           HA       PRO  58   2.749  -4.053  -1.137
  459    HB2  PRO  58           2HB      PRO  58   3.581  -6.950  -1.034
  460    HB3  PRO  58           3HB      PRO  58   3.563  -5.733   0.284
  461    HG2  PRO  58           2HG      PRO  58   1.563  -7.533   0.127
  462    HG3  PRO  58           3HG      PRO  58   1.165  -5.803   0.404
  463    HD2  PRO  58           2HD      PRO  58   1.099  -7.347  -2.202
  464    HD3  PRO  58           3HD      PRO  58  -0.134  -6.254  -1.505
  465    H    GLY  59           H        GLY  59   3.359  -6.209  -3.873
  466    HA2  GLY  59           2HA      GLY  59   6.149  -5.278  -4.215
  467    HA3  GLY  59           3HA      GLY  59   5.229  -6.319  -5.306
  468    H    CYS  60           HN       CYS  60   2.995  -4.845  -5.907
  469    HA   CYS  60           HA       CYS  60   4.015  -3.229  -7.926
  470    HB2  CYS  60           2HB      CYS  60   1.154  -3.371  -6.919
  471    HB3  CYS  60           3HB      CYS  60   1.684  -2.888  -8.535
  472    H    PHE  61           H        PHE  61   2.450  -2.203  -4.848
  473    HA   PHE  61           HA       PHE  61   2.261   0.540  -5.592
  474    HB2  PHE  61           2HB      PHE  61   1.444   0.895  -3.562
  475    HB3  PHE  61           3HB      PHE  61   1.361  -0.857  -3.489
  476    HD1  PHE  61           HD1      PHE  61   3.248  -2.118  -2.393
  477    HD2  PHE  61           HD2      PHE  61   2.915   2.146  -2.162
  478    HE1  PHE  61           HE1      PHE  61   4.643  -2.144  -0.321
  479    HE2  PHE  61           HE2      PHE  61   4.310   2.149  -0.076
  480    HZ   PHE  61           HZ       PHE  61   5.157  -0.000   0.849
  481    H    VAL  62           H        VAL  62   5.004  -1.286  -4.238
  482    HA   VAL  62           HA       VAL  62   6.825   0.965  -4.135
  483    HB   VAL  62           HB       VAL  62   7.545  -1.967  -4.451
  484   HG11  VAL  62          1HG1      VAL  62   9.672  -1.272  -3.387
  485   HG12  VAL  62          2HG1      VAL  62   9.443  -0.463  -4.930
  486   HG13  VAL  62          3HG1      VAL  62   9.141   0.420  -3.416
  487   HG21  VAL  62          3HG2      VAL  62   7.072  -0.274  -1.959
  488   HG22  VAL  62          1HG2      VAL  62   6.201  -1.738  -2.460
  489   HG23  VAL  62          2HG2      VAL  62   7.875  -1.859  -1.956
  490    H    LYS  63           H        LYS  63   6.051  -1.392  -6.715
  491    HA   LYS  63           HA       LYS  63   8.022  -0.565  -8.587
  492    HB2  LYS  63           2HB      LYS  63   6.715  -2.645  -8.764
  493    HB3  LYS  63           3HB      LYS  63   5.239  -1.715  -9.023
  494    HG2  LYS  63           2HG      LYS  63   6.120  -0.846 -11.164
  495    HG3  LYS  63           3HG      LYS  63   7.610  -1.761 -10.909
  496    HD2  LYS  63           2HD      LYS  63   6.124  -2.935 -12.455
  497    HD3  LYS  63           3HD      LYS  63   6.368  -3.871 -10.989
  498    HE2  LYS  63           2HE      LYS  63   4.063  -4.030 -11.722
  499    HE3  LYS  63           3HE      LYS  63   4.135  -3.240 -10.152
  500    HZ1  LYS  63           3HZ      LYS  63   3.647  -1.145 -11.173
  501    HZ2  LYS  63           1HZ      LYS  63   3.937  -1.714 -12.696
  502    HZ3  LYS  63           2HZ      LYS  63   2.623  -2.196 -11.859
  503    H    ASN  64           H        ASN  64   4.789   0.825  -7.988
  504    HA   ASN  64           HA       ASN  64   5.406   3.018  -9.903
  505    HB2  ASN  64           2HB      ASN  64   2.743   3.332  -9.487
  506    HB3  ASN  64           3HB      ASN  64   3.505   2.527 -10.835
  507   HD21  ASN  64          1HD2      ASN  64   1.840   1.918  -7.712
  508   HD22  ASN  64          2HD2      ASN  64   1.371   0.301  -8.222
  509    H    ARG  65           H        ARG  65   6.179   2.668  -6.868
  510    HA   ARG  65           HA       ARG  65   4.993   4.614  -5.328
  511    HB2  ARG  65           2HB      ARG  65   7.006   4.647  -4.039
  512    HB3  ARG  65           3HB      ARG  65   6.861   3.040  -4.709
  513    HG2  ARG  65           2HG      ARG  65   8.441   3.809  -6.592
  514    HG3  ARG  65           3HG      ARG  65   8.698   5.288  -5.648
  515    HD2  ARG  65           2HD      ARG  65   9.582   4.031  -3.797
  516    HD3  ARG  65           3HD      ARG  65   9.224   2.489  -4.591
  517    HE   ARG  65           HE       ARG  65  11.491   4.255  -5.071
  518   HH11  ARG  65          1HH2      ARG  65   9.575   1.741  -6.640
  519   HH12  ARG  65          2HH2      ARG  65  10.892   1.318  -7.704
  520   HH21  ARG  65          1HH1      ARG  65  13.087   3.649  -6.476
  521   HH22  ARG  65          2HH1      ARG  65  12.806   2.371  -7.619
  522    H    GLU  66           H        GLU  66   7.292   5.188  -7.917
  523    HA   GLU  66           HA       GLU  66   7.574   8.024  -7.371
  524    HB2  GLU  66           2HB      GLU  66   9.019   8.009  -9.357
  525    HB3  GLU  66           3HB      GLU  66   9.456   6.789  -8.153
  526    HG2  GLU  66           2HG      GLU  66   8.433   5.014  -9.487
  527    HG3  GLU  66           3HG      GLU  66   7.849   6.188 -10.672
  528    H    GLU  67           H        GLU  67   5.398   6.118  -9.297
  529    HA   GLU  67           HA       GLU  67   4.279   8.414 -10.761
  530    HB2  GLU  67           2HB      GLU  67   4.309   6.031 -11.649
  531    HB3  GLU  67           3HB      GLU  67   3.142   5.623 -10.394
  532    HG2  GLU  67           2HG      GLU  67   1.920   5.983 -12.396
  533    HG3  GLU  67           3HG      GLU  67   1.576   7.350 -11.350
  534    H    LEU  68           H        LEU  68   3.532   6.361  -7.916
  535    HA   LEU  68           HA       LEU  68   1.199   7.832  -7.067
  536    HB2  LEU  68           2HB      LEU  68   3.113   6.003  -5.571
  537    HB3  LEU  68           3HB      LEU  68   1.580   6.570  -4.923
  538    HG   LEU  68           HG       LEU  68   1.870   4.827  -7.414
  539   HD11  LEU  68          1HD1      LEU  68   1.025   4.122  -4.577
  540   HD12  LEU  68          2HD1      LEU  68   0.955   3.034  -5.974
  541   HD13  LEU  68          3HD1      LEU  68   2.525   3.617  -5.385
  542   HD21  LEU  68          3HD2      LEU  68  -0.502   4.483  -7.272
  543   HD22  LEU  68          1HD2      LEU  68  -0.631   5.505  -5.835
  544   HD23  LEU  68          2HD2      LEU  68  -0.209   6.210  -7.418
  545    H    GLY  69           H        GLY  69   4.620   8.518  -6.621
  546    HA2  GLY  69           2HA      GLY  69   5.332  10.753  -6.274
  547    HA3  GLY  69           3HA      GLY  69   3.819  11.145  -5.464
  548    H    PHE  70           H        PHE  70   5.564   8.256  -4.499
  549    HA   PHE  70           HA       PHE  70   6.002   9.069  -1.772
  550    HB2  PHE  70           2HB      PHE  70   7.018   6.826  -3.530
  551    HB3  PHE  70           3HB      PHE  70   7.676   7.067  -1.935
  552    HD1  PHE  70           HD1      PHE  70   4.462   6.294  -3.710
  553    HD2  PHE  70           HD2      PHE  70   6.587   6.405   0.019
  554    HE1  PHE  70           HE1      PHE  70   2.693   4.898  -2.664
  555    HE2  PHE  70           HE2      PHE  70   4.843   4.995   1.077
  556    HZ   PHE  70           HZ       PHE  70   2.881   4.242  -0.274
  557    H    ARG  71           H        ARG  71   7.750   9.829  -0.732
  558    HA   ARG  71           HA       ARG  71  10.359  10.129  -2.110
  559    HB2  ARG  71           2HB      ARG  71   9.023  12.211  -0.335
  560    HB3  ARG  71           3HB      ARG  71  10.730  12.234  -0.753
  561    HG2  ARG  71           2HG      ARG  71  10.286  12.591  -3.083
  562    HG3  ARG  71           3HG      ARG  71   8.557  12.267  -2.886
  563    HD2  ARG  71           2HD      ARG  71   8.999  14.688  -3.086
  564    HD3  ARG  71           3HD      ARG  71   8.224  14.236  -1.573
  565    HE   ARG  71           HE       ARG  71  10.118  14.845  -0.345
  566   HH11  ARG  71          1HH2      ARG  71  11.029  15.108  -3.736
  567   HH12  ARG  71          2HH2      ARG  71  12.514  15.922  -3.320
  568   HH21  ARG  71          1HH1      ARG  71  11.865  15.776   0.083
  569   HH22  ARG  71          2HH1      ARG  71  13.007  16.323  -1.152
  570    HA   PRO  72           HA       PRO  72  11.971   7.845   1.238
  571    HB2  PRO  72           2HB      PRO  72  14.145   9.925   1.517
  572    HB3  PRO  72           3HB      PRO  72  14.294   8.140   1.425
  573    HG2  PRO  72           2HG      PRO  72  14.798   9.636  -0.762
  574    HG3  PRO  72           3HG      PRO  72  13.799   8.152  -0.921
  575    HD2  PRO  72           2HD      PRO  72  12.865  11.031  -0.717
  576    HD3  PRO  72           3HD      PRO  72  12.344   9.743  -1.841
  577    H    GLU  73           H        GLU  73  11.579  11.301   1.946
  578    HA   GLU  73           HA       GLU  73  11.809  11.150   4.795
  579    HB2  GLU  73           2HB      GLU  73  10.856  13.360   4.797
  580    HB3  GLU  73           3HB      GLU  73  12.020  13.208   3.482
  581    HG2  GLU  73           2HG      GLU  73  10.030  12.776   1.920
  582    HG3  GLU  73           3HG      GLU  73   8.984  13.224   3.269
  583    H    TYR  74           H        TYR  74   9.281  10.007   2.760
  584    HA   TYR  74           HA       TYR  74   7.685   9.230   5.072
  585    HB2  TYR  74           2HB      TYR  74   5.551  10.183   4.105
  586    HB3  TYR  74           3HB      TYR  74   6.653  11.240   4.939
  587    HD1  TYR  74           HD2      TYR  74   6.862  10.252   1.280
  588    HD2  TYR  74           HD1      TYR  74   6.009  13.320   4.193
  589    HE1  TYR  74           HE2      TYR  74   6.606  11.925  -0.544
  590    HE2  TYR  74           HE1      TYR  74   5.780  14.986   2.369
  591    HH   TYR  74           HH       TYR  74   5.804  15.353   0.113
  592    H    SER  75           H        SER  75   8.983   7.442   3.880
  593    HA   SER  75           HA       SER  75   7.649   6.052   1.737
  594    HB2  SER  75           2HB      SER  75   9.641   5.032   3.737
  595    HB3  SER  75           3HB      SER  75   9.269   4.342   2.150
  596    HG   SER  75           HG       SER  75  11.184   5.688   2.245
  597    H    ALA  76           H        ALA  76   7.787   3.327   2.942
  598    HA   ALA  76           HA       ALA  76   5.075   2.981   3.448
  599    HB1  ALA  76           1HB      ALA  76   5.721   0.694   4.080
  600    HB2  ALA  76           2HB      ALA  76   6.642   1.240   2.664
  601    HB3  ALA  76           3HB      ALA  76   7.411   1.199   4.269
  602    H    SER  77           H        SER  77   7.447   3.959   5.835
  603    HA   SER  77           HA       SER  77   5.945   3.177   8.189
  604    HB2  SER  77           2HB      SER  77   7.621   4.632   9.340
  605    HB3  SER  77           3HB      SER  77   8.343   3.378   8.317
  606    HG   SER  77           HG       SER  77   9.275   5.508   8.056
  607    H    GLN  78           H        GLN  78   5.218   5.472   5.862
  608    HA   GLN  78           HA       GLN  78   3.579   7.004   7.764
  609    HB2  GLN  78           2HB      GLN  78   4.932   7.931   5.223
  610    HB3  GLN  78           3HB      GLN  78   3.695   8.864   6.054
  611    HG2  GLN  78           2HG      GLN  78   6.322   8.020   7.354
  612    HG3  GLN  78           3HG      GLN  78   6.012   9.583   6.619
  613   HE21  GLN  78          2HE2      GLN  78   5.151   7.529   9.430
  614   HE22  GLN  78          1HE2      GLN  78   4.539   8.910  10.357
  615    H    LEU  79           H        LEU  79   3.022   4.433   6.280
  616    HA   LEU  79           HA       LEU  79   0.548   5.169   4.815
  617    HB2  LEU  79           2HB      LEU  79   1.825   2.520   5.591
  618    HB3  LEU  79           3HB      LEU  79   0.260   2.643   4.806
  619    HG   LEU  79           HG       LEU  79   2.679   3.864   3.458
  620   HD11  LEU  79          1HD1      LEU  79   1.859   0.942   3.172
  621   HD12  LEU  79          2HD1      LEU  79   3.140   1.788   2.289
  622   HD13  LEU  79          3HD1      LEU  79   3.297   1.495   4.031
  623   HD21  LEU  79          3HD2      LEU  79   1.434   3.495   1.461
  624   HD22  LEU  79          1HD2      LEU  79   0.275   2.429   2.280
  625   HD23  LEU  79          2HD2      LEU  79   0.293   4.156   2.642
  626    H    LYS  80           H        LYS  80  -1.484   5.103   5.711
  627    HA   LYS  80           HA       LYS  80  -2.007   5.130   8.472
  628    HB2  LYS  80           2HB      LYS  80  -3.971   3.987   6.453
  629    HB3  LYS  80           3HB      LYS  80  -4.338   4.699   8.017
  630    HG2  LYS  80           2HG      LYS  80  -3.601   6.912   7.189
  631    HG3  LYS  80           3HG      LYS  80  -3.238   6.172   5.614
  632    HD2  LYS  80           2HD      LYS  80  -5.772   5.365   5.751
  633    HD3  LYS  80           3HD      LYS  80  -5.918   6.683   6.926
  634    HE2  LYS  80           2HE      LYS  80  -4.975   8.259   5.231
  635    HE3  LYS  80           3HE      LYS  80  -4.816   6.914   4.088
  636    HZ1  LYS  80           3HZ      LYS  80  -6.864   8.187   3.694
  637    HZ2  LYS  80           1HZ      LYS  80  -7.245   6.666   4.139
  638    HZ3  LYS  80           2HZ      LYS  80  -7.397   7.894   5.208
  639    H    GLY  81           H        GLY  81  -2.417   3.626  10.014
  640    HA2  GLY  81           2HA      GLY  81  -2.701   1.605  11.088
  641    HA3  GLY  81           3HA      GLY  81  -3.393   1.010   9.577
  642    H    PHE  82           H        PHE  82  -0.117   1.942   9.093
  643    HA   PHE  82           HA       PHE  82   0.755  -0.611   8.340
  644    HB2  PHE  82           2HB      PHE  82   1.913   1.213   7.460
  645    HB3  PHE  82           3HB      PHE  82   2.063   2.021   9.009
  646    HD1  PHE  82           HD2      PHE  82   3.802   1.494  10.603
  647    HD2  PHE  82           HD1      PHE  82   3.643  -0.471   6.762
  648    HE1  PHE  82           HE2      PHE  82   6.136   0.700  10.909
  649    HE2  PHE  82           HE1      PHE  82   5.977  -1.237   7.069
  650    HZ   PHE  82           HZ       PHE  82   7.216  -0.681   9.141
  651    H    SER  83           H        SER  83   0.994   1.047  11.487
  652    HA   SER  83           HA       SER  83   2.821  -0.726  12.733
  653    HB2  SER  83           2HB      SER  83   2.135   0.412  14.794
  654    HB3  SER  83           3HB      SER  83   2.340   1.564  13.459
  655    HG   SER  83           HG       SER  83  -0.112   0.510  14.457
  656    H    LEU  84           H        LEU  84  -0.583  -1.166  12.116
  657    HA   LEU  84           HA       LEU  84  -0.971  -3.185  14.233
  658    HB2  LEU  84           2HB      LEU  84  -2.732  -1.805  12.195
  659    HB3  LEU  84           3HB      LEU  84  -3.258  -3.321  12.870
  660    HG   LEU  84           HG       LEU  84  -4.256  -1.407  13.986
  661   HD11  LEU  84          1HD1      LEU  84  -3.960  -2.144  16.276
  662   HD12  LEU  84          2HD1      LEU  84  -3.972  -3.549  15.197
  663   HD13  LEU  84          3HD1      LEU  84  -2.437  -2.959  15.873
  664   HD21  LEU  84          3HD2      LEU  84  -1.523  -0.789  15.150
  665   HD22  LEU  84          1HD2      LEU  84  -2.325   0.163  13.865
  666   HD23  LEU  84          2HD2      LEU  84  -3.053   0.045  15.477
  667    H    LEU  85           H        LEU  85   0.298  -3.261  11.060
  668    HA   LEU  85           HA       LEU  85  -0.554  -5.960  10.334
  669    HB2  LEU  85           2HB      LEU  85   1.651  -4.088   9.443
  670    HB3  LEU  85           3HB      LEU  85   1.636  -5.755   8.920
  671    HG   LEU  85           HG       LEU  85  -0.458  -5.500   7.765
  672   HD11  LEU  85          1HD1      LEU  85  -0.484  -2.626   8.756
  673   HD12  LEU  85          2HD1      LEU  85  -1.513  -3.259   7.457
  674   HD13  LEU  85          3HD1      LEU  85  -1.694  -3.882   9.101
  675   HD21  LEU  85          3HD2      LEU  85   1.428  -3.177   7.175
  676   HD22  LEU  85          1HD2      LEU  85   1.652  -4.853   6.635
  677   HD23  LEU  85          2HD2      LEU  85   0.278  -3.910   6.037
  678    H    ALA  86           H        ALA  86   0.956  -7.829  10.240
  679    HA   ALA  86           HA       ALA  86   2.294  -8.431  12.689
  680    HB1  ALA  86           1HB      ALA  86   3.103 -10.423  11.426
  681    HB2  ALA  86           2HB      ALA  86   1.362 -10.165  11.235
  682    HB3  ALA  86           3HB      ALA  86   2.472  -9.708   9.925
  683    H    THR  87           H        THR  87   4.505  -8.582  13.198
  684    HA   THR  87           HA       THR  87   6.199  -6.512  12.435
  685    HB   THR  87           HB       THR  87   7.118  -9.235  13.407
  686    HG1  THR  87           1HG      THR  87   6.701  -8.417  15.469
  687   HG21  THR  87          1HG2      THR  87   8.822  -7.901  14.648
  688   HG22  THR  87          2HG2      THR  87   8.980  -7.685  12.901
  689   HG23  THR  87          3HG2      THR  87   8.210  -6.417  13.880
  690    H    GLU  88           H        GLU  88   6.122  -9.831  11.060
  691    HA   GLU  88           HA       GLU  88   8.410  -9.481   9.370
  692    HB2  GLU  88           2HB      GLU  88   7.691 -11.497   8.258
  693    HB3  GLU  88           3HB      GLU  88   7.555 -11.668  10.006
  694    HG2  GLU  88           2HG      GLU  88   5.079 -11.222   9.812
  695    HG3  GLU  88           3HG      GLU  88   5.259 -11.182   8.057
  696    H    ASP  89           H        ASP  89   5.013  -8.540   8.871
  697    HA   ASP  89           HA       ASP  89   5.465  -7.872   6.032
  698    HB2  ASP  89           2HB      ASP  89   3.135  -7.436   7.928
  699    HB3  ASP  89           3HB      ASP  89   3.188  -6.809   6.285
  700    H    LYS  90           H        LYS  90   5.259  -6.128   9.148
  701    HA   LYS  90           HA       LYS  90   5.599  -3.467   8.118
  702    HB2  LYS  90           2HB      LYS  90   6.291  -4.762  10.787
  703    HB3  LYS  90           3HB      LYS  90   6.516  -3.032  10.477
  704    HG2  LYS  90           2HG      LYS  90   4.222  -2.639  10.135
  705    HG3  LYS  90           3HG      LYS  90   3.849  -4.353   9.945
  706    HD2  LYS  90           2HD      LYS  90   3.019  -3.577  12.054
  707    HD3  LYS  90           3HD      LYS  90   4.285  -4.789  12.296
  708    HE2  LYS  90           2HE      LYS  90   5.899  -2.983  12.835
  709    HE3  LYS  90           3HE      LYS  90   4.637  -1.776  12.545
  710    HZ1  LYS  90           3HZ      LYS  90   3.345  -2.826  14.368
  711    HZ2  LYS  90           1HZ      LYS  90   4.560  -3.879  14.652
  712    HZ3  LYS  90           2HZ      LYS  90   4.798  -2.288  14.918
  713    H    GLU  91           H        GLU  91   8.022  -5.911   9.067
  714    HA   GLU  91           HA       GLU  91  10.314  -4.304   8.312
  715    HB2  GLU  91           2HB      GLU  91   9.905  -7.304   8.598
  716    HB3  GLU  91           3HB      GLU  91  11.453  -6.574   8.182
  717    HG2  GLU  91           2HG      GLU  91   9.893  -5.970  10.729
  718    HG3  GLU  91           3HG      GLU  91  11.219  -7.120  10.603
  719    H    ALA  92           H        ALA  92   8.465  -6.836   6.470
  720    HA   ALA  92           HA       ALA  92  10.085  -6.665   4.163
  721    HB1  ALA  92           1HB      ALA  92   8.224  -7.810   3.044
  722    HB2  ALA  92           2HB      ALA  92   8.570  -8.510   4.638
  723    HB3  ALA  92           3HB      ALA  92   7.162  -7.437   4.423
  724    H    LEU  93           H        LEU  93   7.227  -4.649   4.980
  725    HA   LEU  93           HA       LEU  93   7.084  -3.313   2.420
  726    HB2  LEU  93           2HB      LEU  93   6.183  -2.572   5.225
  727    HB3  LEU  93           3HB      LEU  93   5.860  -1.561   3.820
  728    HG   LEU  93           HG       LEU  93   4.884  -4.438   4.054
  729   HD11  LEU  93          1HD1      LEU  93   3.428  -1.808   4.568
  730   HD12  LEU  93          2HD1      LEU  93   2.697  -3.427   4.569
  731   HD13  LEU  93          3HD1      LEU  93   3.893  -3.006   5.801
  732   HD21  LEU  93          3HD2      LEU  93   4.104  -2.181   2.168
  733   HD22  LEU  93          1HD2      LEU  93   5.021  -3.642   1.727
  734   HD23  LEU  93          2HD2      LEU  93   3.342  -3.784   2.254
  735    H    LYS  94           H        LYS  94   8.775  -2.454   5.486
  736    HA   LYS  94           HA       LYS  94  10.042  -0.070   4.431
  737    HB2  LYS  94           2HB      LYS  94  10.790  -1.944   6.703
  738    HB3  LYS  94           3HB      LYS  94  11.646  -0.439   6.349
  739    HG2  LYS  94           2HG      LYS  94   9.580   0.868   6.712
  740    HG3  LYS  94           3HG      LYS  94   8.697  -0.607   7.108
  741    HD2  LYS  94           2HD      LYS  94  11.090   0.524   8.630
  742    HD3  LYS  94           3HD      LYS  94   9.399   0.601   9.148
  743    HE2  LYS  94           2HE      LYS  94   9.305  -1.878   9.263
  744    HE3  LYS  94           3HE      LYS  94  10.973  -1.976   8.697
  745    HZ1  LYS  94           3HZ      LYS  94  11.644  -0.764  10.720
  746    HZ2  LYS  94           1HZ      LYS  94  10.108  -0.851  11.293
  747    HZ3  LYS  94           2HZ      LYS  94  10.978  -2.225  11.010
  748    H    LYS  95           H        LYS  95  11.065  -3.508   4.512
  749    HA   LYS  95           HA       LYS  95  13.706  -3.050   3.594
  750    HB2  LYS  95           2HB      LYS  95  11.881  -5.461   3.489
  751    HB3  LYS  95           3HB      LYS  95  13.481  -5.516   2.744
  752    HG2  LYS  95           2HG      LYS  95  14.594  -4.990   4.818
  753    HG3  LYS  95           3HG      LYS  95  13.065  -4.708   5.652
  754    HD2  LYS  95           2HD      LYS  95  12.436  -7.089   5.329
  755    HD3  LYS  95           3HD      LYS  95  13.972  -7.373   4.476
  756    HE2  LYS  95           2HE      LYS  95  15.213  -6.645   6.519
  757    HE3  LYS  95           3HE      LYS  95  13.678  -6.418   7.364
  758    HZ1  LYS  95           3HZ      LYS  95  14.650  -8.583   7.868
  759    HZ2  LYS  95           1HZ      LYS  95  13.250  -8.813   7.060
  760    HZ3  LYS  95           2HZ      LYS  95  14.681  -9.007   6.294
  761    H    GLN  96           H        GLN  96  10.782  -2.992   1.783
  762    HA   GLN  96           HA       GLN  96  12.202  -2.903  -0.838
  763    HB2  GLN  96           2HB      GLN  96   9.257  -3.030  -0.097
  764    HB3  GLN  96           3HB      GLN  96   9.886  -2.940  -1.749
  765    HG2  GLN  96           2HG      GLN  96  10.969  -5.081  -1.577
  766    HG3  GLN  96           3HG      GLN  96  10.638  -5.195   0.153
  767   HE21  GLN  96          2HE2      GLN  96   8.395  -5.426   0.869
  768   HE22  GLN  96          1HE2      GLN  96   7.214  -6.138  -0.240
  769    H    LEU  97           H        LEU  97  10.280  -0.850   1.376
  770    HA   LEU  97           HA       LEU  97  11.193   1.574  -0.071
  771    HB2  LEU  97           2HB      LEU  97   9.083   0.828  -1.039
  772    HB3  LEU  97           3HB      LEU  97   8.299   0.836   0.532
  773    HG   LEU  97           HG       LEU  97   8.247   3.209   0.617
  774   HD11  LEU  97          1HD1      LEU  97  10.193   3.212  -1.728
  775   HD12  LEU  97          2HD1      LEU  97   9.328   4.653  -1.133
  776   HD13  LEU  97          3HD1      LEU  97  10.492   3.835  -0.091
  777   HD21  LEU  97          3HD2      LEU  97   7.808   2.398  -2.283
  778   HD22  LEU  97          1HD2      LEU  97   6.658   2.167  -0.952
  779   HD23  LEU  97          2HD2      LEU  97   7.097   3.802  -1.462
  780    HA   PRO  98           HA       PRO  98  11.407   1.993   4.510
  781    HB2  PRO  98           2HB      PRO  98  14.108   2.502   4.791
  782    HB3  PRO  98           3HB      PRO  98  13.379   0.881   4.706
  783    HG2  PRO  98           2HG      PRO  98  14.967   2.308   2.642
  784    HG3  PRO  98           3HG      PRO  98  14.613   0.559   2.805
  785    HD2  PRO  98           2HD      PRO  98  13.339   2.497   1.070
  786    HD3  PRO  98           3HD      PRO  98  13.028   0.747   1.217
  787    H    GLY  99           H        GLY  99  11.442   3.787   5.889
  788    HA2  GLY  99           2HA      GLY  99  11.452   6.422   4.592
  789    HA3  GLY  99           3HA      GLY  99  10.658   5.987   6.095
  790    H    VAL 100           H        VAL 100  12.586   8.019   5.240
  791    HA   VAL 100           HA       VAL 100  15.059   7.717   6.727
  792    HB   VAL 100           HB       VAL 100  13.699  10.199   5.607
  793   HG11  VAL 100          1HG1      VAL 100  16.491   9.877   6.789
  794   HG12  VAL 100          2HG1      VAL 100  15.949  11.274   5.830
  795   HG13  VAL 100          3HG1      VAL 100  15.188  10.936   7.384
  796   HG21  VAL 100          3HG2      VAL 100  15.382  10.041   3.835
  797   HG22  VAL 100          1HG2      VAL 100  16.082   8.589   4.592
  798   HG23  VAL 100          2HG2      VAL 100  14.447   8.545   3.904
  799    H    LYS 101           H        LYS 101  15.533   7.994   8.688
  800    HA   LYS 101           HA       LYS 101  13.528   8.945  10.633
  801    HB2  LYS 101           2HB      LYS 101  15.011   6.715  10.647
  802    HB3  LYS 101           3HB      LYS 101  16.202   7.784  11.413
  803    HG2  LYS 101           2HG      LYS 101  14.327   8.477  13.012
  804    HG3  LYS 101           3HG      LYS 101  13.321   7.255  12.226
  805    HD2  LYS 101           2HD      LYS 101  14.192   6.410  14.332
  806    HD3  LYS 101           3HD      LYS 101  14.882   5.476  12.997
  807    HE2  LYS 101           2HE      LYS 101  17.008   6.566  13.190
  808    HE3  LYS 101           3HE      LYS 101  16.338   7.870  14.182
  809    HZ1  LYS 101           3HZ      LYS 101  16.514   5.053  15.097
  810    HZ2  LYS 101           1HZ      LYS 101  17.574   6.230  15.508
  811    HZ3  LYS 101           2HZ      LYS 101  16.012   6.354  15.975
  812    H    SER 102           H        SER 102  16.447  10.135   9.233
  813    HA   SER 102           HA       SER 102  17.596  11.667  11.228
  814    HB2  SER 102           2HB      SER 102  17.490  12.376   8.274
  815    HB3  SER 102           3HB      SER 102  18.745  12.829   9.444
  816    HG   SER 102           HG       SER 102  19.379  11.014   8.205
  817    H    GLU 103           H        GLU 103  14.602  12.407   9.714
  818    HA   GLU 103           HA       GLU 103  14.362  15.230  10.213
  819    HB2  GLU 103           2HB      GLU 103  12.892  13.852   8.784
  820    HB3  GLU 103           3HB      GLU 103  12.364  12.931  10.197
  821    HG2  GLU 103           2HG      GLU 103  11.247  14.916  11.114
  822    HG3  GLU 103           3HG      GLU 103  11.903  15.916   9.805
  823    H    GLY 104           H        GLY 104  14.548  12.518  12.387
  824    HA2  GLY 104           2HA      GLY 104  14.727  12.643  14.743
  825    HA3  GLY 104           3HA      GLY 104  13.858  14.178  14.766
  826    H    LYS 105           H        LYS 105  12.901  11.133  13.120
  827    HA   LYS 105           HA       LYS 105  10.174  11.235  14.133
  828    HB2  LYS 105           2HB      LYS 105  11.749   9.076  12.662
  829    HB3  LYS 105           3HB      LYS 105  10.069   8.888  13.163
  830    HG2  LYS 105           2HG      LYS 105   9.428  10.865  11.793
  831    HG3  LYS 105           3HG      LYS 105  11.104  10.987  11.212
  832    HD2  LYS 105           2HD      LYS 105  10.958   8.728  10.231
  833    HD3  LYS 105           3HD      LYS 105   9.365   8.490  10.944
  834    HE2  LYS 105           2HE      LYS 105   9.090   8.919   8.614
  835    HE3  LYS 105           3HE      LYS 105   8.415  10.274   9.523
  836    HZ1  LYS 105           3HZ      LYS 105  10.230  11.629   8.905
  837    HZ2  LYS 105           1HZ      LYS 105  11.153  10.343   8.383
  838    HZ3  LYS 105           2HZ      LYS 105   9.836  10.847   7.537
  839    H    ARG 106           H        ARG 106  13.006   9.279  14.960
  840    HA   ARG 106           HA       ARG 106  12.124   9.107  17.729
  841    HB2  ARG 106           2HB      ARG 106  11.026   7.106  16.591
  842    HB3  ARG 106           3HB      ARG 106  12.625   6.512  16.196
  843    HG2  ARG 106           2HG      ARG 106  12.018   5.305  18.098
  844    HG3  ARG 106           3HG      ARG 106  13.098   6.536  18.753
  845    HD2  ARG 106           2HD      ARG 106  11.100   7.869  19.462
  846    HD3  ARG 106           3HD      ARG 106  10.048   6.661  18.742
  847    HE   ARG 106           HE       ARG 106  10.619   5.079  20.424
  848   HH11  ARG 106          1HH2      ARG 106  12.146   8.188  21.153
  849   HH12  ARG 106          2HH2      ARG 106  12.215   7.796  22.861
  850   HH21  ARG 106          1HH1      ARG 106  10.969   4.658  22.619
  851   HH22  ARG 106          2HH1      ARG 106  11.787   5.880  23.584
  852    H    LYS 107           H        LYS 107  13.929  10.273  18.297
  853    HA   LYS 107           HA       LYS 107  16.671   9.489  17.529
  854    HB2  LYS 107           2HB      LYS 107  15.745  11.385  19.713
  855    HB3  LYS 107           3HB      LYS 107  17.348  11.307  18.986
  856    HG2  LYS 107           2HG      LYS 107  16.386  12.061  16.806
  857    HG3  LYS 107           3HG      LYS 107  14.803  12.214  17.558
  858    HD2  LYS 107           2HD      LYS 107  17.301  13.827  18.132
  859    HD3  LYS 107           3HD      LYS 107  15.777  14.402  17.468
  860    HE2  LYS 107           2HE      LYS 107  16.296  13.451  20.316
  861    HE3  LYS 107           3HE      LYS 107  16.085  15.119  19.805
  862    HZ1  LYS 107           3HZ      LYS 107  14.058  14.092  20.789
  863    HZ2  LYS 107           1HZ      LYS 107  13.788  14.644  19.262
  864    HZ3  LYS 107           2HZ      LYS 107  13.962  13.040  19.564
  865    H    GLY 108           H        GLY 108  14.394   8.578  19.929
  866    HA2  GLY 108           2HA      GLY 108  14.573   7.070  21.723
  867    HA3  GLY 108           3HA      GLY 108  16.344   7.122  21.650
  868    H    ASP 109           H        ASP 109  14.338   9.988  21.472
  869    HA   ASP 109           HA       ASP 109  14.703  10.834  24.248
  870    HB2  ASP 109           2HB      ASP 109  16.895  11.393  23.261
  871    HB3  ASP 109           3HB      ASP 109  16.103  12.273  21.960
  872    H    GLU 110           H        GLU 110  12.449  10.234  23.417
  873    HA   GLU 110           HA       GLU 110  10.969  12.676  22.477
  874    HB2  GLU 110           2HB      GLU 110  10.463   9.729  21.889
  875    HB3  GLU 110           3HB      GLU 110   9.276  10.988  21.627
  876    HG2  GLU 110           2HG      GLU 110  10.279  10.449  19.543
  877    HG3  GLU 110           3HG      GLU 110  10.705  12.102  19.991
  878    H    VAL 111           H        VAL 111  10.911   9.813  24.497
  879    HA   VAL 111           HA       VAL 111   8.865  10.957  26.347
  880    HB   VAL 111           HB       VAL 111   7.634   8.798  26.341
  881   HG11  VAL 111          1HG1      VAL 111   7.699  10.019  23.565
  882   HG12  VAL 111          2HG1      VAL 111   6.379   9.113  24.323
  883   HG13  VAL 111          3HG1      VAL 111   6.840  10.698  24.966
  884   HG21  VAL 111          3HG2      VAL 111   7.919   7.171  24.544
  885   HG22  VAL 111          1HG2      VAL 111   9.273   8.091  23.862
  886   HG23  VAL 111          2HG2      VAL 111   9.432   7.311  25.450
  887    H    ASP 112           H        ASP 112  11.830  10.160  26.296
  888    HA   ASP 112           HA       ASP 112  11.926   7.685  27.854
  889    HB2  ASP 112           2HB      ASP 112  14.106   9.129  26.317
  890    HB3  ASP 112           3HB      ASP 112  14.139   7.468  26.901
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1   0.016  14.997  20.116
    2    H2   GLY   1           H2       GLY   1  -0.561  13.806  21.083
    3    H3   GLY   1           H3       GLY   1  -0.023  15.207  21.742
    4    HA2  GLY   1           2HA      GLY   1  -2.430  15.157  21.754
    5    HA3  GLY   1           3HA      GLY   1  -1.797  16.464  20.737
    6    H    SER   2           H        SER   2  -4.371  14.855  20.664
    7    HA   SER   2           HA       SER   2  -4.327  13.020  18.482
    8    HB2  SER   2           2HB      SER   2  -6.801  13.148  18.684
    9    HB3  SER   2           3HB      SER   2  -5.976  12.886  20.230
   10    HG   SER   2           HG       SER   2  -7.613  14.508  20.365
   11    H    LYS   3           H        LYS   3  -4.261  16.425  18.312
   12    HA   LYS   3           HA       LYS   3  -5.678  16.915  15.867
   13    HB2  LYS   3           2HB      LYS   3  -4.937  18.582  17.590
   14    HB3  LYS   3           3HB      LYS   3  -3.270  18.386  17.032
   15    HG2  LYS   3           2HG      LYS   3  -3.922  19.216  14.788
   16    HG3  LYS   3           3HG      LYS   3  -5.602  19.369  15.316
   17    HD2  LYS   3           2HD      LYS   3  -3.228  20.885  16.493
   18    HD3  LYS   3           3HD      LYS   3  -4.340  21.517  15.271
   19    HE2  LYS   3           2HE      LYS   3  -6.243  21.233  16.856
   20    HE3  LYS   3           3HE      LYS   3  -5.118  20.659  18.094
   21    HZ1  LYS   3           3HZ      LYS   3  -5.575  23.027  18.353
   22    HZ2  LYS   3           1HZ      LYS   3  -3.999  22.823  17.987
   23    HZ3  LYS   3           2HZ      LYS   3  -5.043  23.355  16.847
   24    H    ALA   4           H        ALA   4  -2.559  15.448  16.420
   25    HA   ALA   4           HA       ALA   4  -1.966  15.454  13.487
   26    HB1  ALA   4           1HB      ALA   4   0.405  15.371  14.105
   27    HB2  ALA   4           2HB      ALA   4  -0.375  16.812  14.784
   28    HB3  ALA   4           3HB      ALA   4  -0.023  15.414  15.828
   29    H    GLU   5           H        GLU   5  -0.849  13.610  12.650
   30    HA   GLU   5           HA       GLU   5  -1.097  11.034  14.118
   31    HB2  GLU   5           2HB      GLU   5  -2.232  11.581  11.340
   32    HB3  GLU   5           3HB      GLU   5  -2.041   9.981  12.065
   33    HG2  GLU   5           2HG      GLU   5  -3.547  10.673  13.942
   34    HG3  GLU   5           3HG      GLU   5  -3.831  12.210  13.118
   35    H    LYS   6           H        LYS   6   0.111   9.277  13.072
   36    HA   LYS   6           HA       LYS   6   2.795  10.080  12.444
   37    HB2  LYS   6           2HB      LYS   6   2.092   8.029  13.695
   38    HB3  LYS   6           3HB      LYS   6   1.467   7.344  12.188
   39    HG2  LYS   6           2HG      LYS   6   3.762   7.444  11.217
   40    HG3  LYS   6           3HG      LYS   6   4.369   8.114  12.747
   41    HD2  LYS   6           2HD      LYS   6   3.555   6.041  13.914
   42    HD3  LYS   6           3HD      LYS   6   3.069   5.375  12.351
   43    HE2  LYS   6           2HE      LYS   6   5.905   6.124  13.201
   44    HE3  LYS   6           3HE      LYS   6   5.241   4.489  13.101
   45    HZ1  LYS   6           3HZ      LYS   6   4.898   4.910  10.673
   46    HZ2  LYS   6           1HZ      LYS   6   5.684   6.327  10.800
   47    HZ3  LYS   6           2HZ      LYS   6   6.461   4.917  11.091
   48    H    THR   7           H        THR   7   0.195   8.835  10.374
   49    HA   THR   7           HA       THR   7   1.598   8.375   7.988
   50    HB   THR   7           HB       THR   7  -1.232   9.429   8.224
   51    HG1  THR   7           1HG      THR   7  -1.859   7.517   8.905
   52   HG21  THR   7          1HG2      THR   7  -0.483   7.175   6.386
   53   HG22  THR   7          2HG2      THR   7  -1.754   8.417   6.230
   54   HG23  THR   7          3HG2      THR   7  -0.095   8.784   5.868
   55    H    LEU   8           H        LEU   8   1.963   9.611   6.080
   56    HA   LEU   8           HA       LEU   8   2.106  12.493   6.318
   57    HB2  LEU   8           2HB      LEU   8   3.021  12.568   4.272
   58    HB3  LEU   8           3HB      LEU   8   3.396  10.910   4.698
   59    HG   LEU   8           HG       LEU   8   1.120  11.842   2.868
   60   HD11  LEU   8          1HD1      LEU   8   3.699  10.415   2.177
   61   HD12  LEU   8          2HD1      LEU   8   2.417  10.906   1.056
   62   HD13  LEU   8          3HD1      LEU   8   3.368  12.138   1.897
   63   HD21  LEU   8          3HD2      LEU   8   2.064   9.056   3.628
   64   HD22  LEU   8          1HD2      LEU   8   0.460   9.739   3.901
   65   HD23  LEU   8          2HD2      LEU   8   0.989   9.413   2.256
   66    H    GLY   9           H        GLY   9  -0.655  10.548   5.717
   67    HA2  GLY   9           2HA      GLY   9  -2.879  11.204   5.577
   68    HA3  GLY   9           3HA      GLY   9  -2.390  12.878   5.327
   69    H    ASP  10           H        ASP  10  -1.736   9.835   3.436
   70    HA   ASP  10           HA       ASP  10  -3.256  10.834   1.172
   71    HB2  ASP  10           2HB      ASP  10  -0.679  11.771   1.250
   72    HB3  ASP  10           3HB      ASP  10  -0.433  10.242   0.395
   73    H    PHE  11           H        PHE  11  -1.161   8.253   2.512
   74    HA   PHE  11           HA       PHE  11  -2.714   6.300   0.930
   75    HB2  PHE  11           2HB      PHE  11  -0.465   5.063   0.548
   76    HB3  PHE  11           3HB      PHE  11  -0.992   6.337  -0.496
   77    HD1  PHE  11           HD2      PHE  11   1.119   6.170   2.672
   78    HD2  PHE  11           HD1      PHE  11   0.625   7.681  -1.341
   79    HE1  PHE  11           HE2      PHE  11   3.403   7.116   2.739
   80    HE2  PHE  11           HE1      PHE  11   2.885   8.689  -1.233
   81    HZ   PHE  11           HZ       PHE  11   4.285   8.384   0.799
   82    H    ALA  12           H        ALA  12  -2.630   4.129   1.616
   83    HA   ALA  12           HA       ALA  12  -2.498   3.813   4.582
   84    HB1  ALA  12           1HB      ALA  12  -4.786   2.951   4.511
   85    HB2  ALA  12           2HB      ALA  12  -4.746   4.580   3.795
   86    HB3  ALA  12           3HB      ALA  12  -4.838   3.154   2.749
   87    H    ALA  13           H        ALA  13  -2.582   1.641   5.375
   88    HA   ALA  13           HA       ALA  13  -2.078  -0.599   3.491
   89    HB1  ALA  13           1HB      ALA  13  -0.381   0.120   5.932
   90    HB2  ALA  13           2HB      ALA  13  -0.100  -1.207   4.771
   91    HB3  ALA  13           3HB      ALA  13   0.063   0.482   4.257
   92    H    GLU  14           H        GLU  14  -3.050  -2.540   4.150
   93    HA   GLU  14           HA       GLU  14  -3.569  -3.194   6.894
   94    HB2  GLU  14           2HB      GLU  14  -5.997  -3.370   6.752
   95    HB3  GLU  14           3HB      GLU  14  -5.495  -1.697   6.625
   96    HG2  GLU  14           2HG      GLU  14  -5.927  -1.665   4.229
   97    HG3  GLU  14           3HG      GLU  14  -6.206  -3.411   4.210
   98    H    TYR  15           H        TYR  15  -4.991  -5.382   6.792
   99    HA   TYR  15           HA       TYR  15  -3.921  -7.019   4.570
  100    HB2  TYR  15           2HB      TYR  15  -5.491  -7.728   7.051
  101    HB3  TYR  15           3HB      TYR  15  -4.968  -8.879   5.822
  102    HD1  TYR  15           HD1      TYR  15  -2.398  -8.601   5.099
  103    HD2  TYR  15           HD2      TYR  15  -3.981  -7.272   8.864
  104    HE1  TYR  15           HE1      TYR  15  -0.166  -8.992   6.166
  105    HE2  TYR  15           HE2      TYR  15  -1.766  -7.678   9.937
  106    HH   TYR  15           HH       TYR  15   1.040  -8.908   8.061
  107    H    ALA  16           H        ALA  16  -5.043  -8.103   3.077
  108    HA   ALA  16           HA       ALA  16  -7.446  -6.966   2.028
  109    HB1  ALA  16           1HB      ALA  16  -5.952  -9.513   1.428
  110    HB2  ALA  16           2HB      ALA  16  -7.243  -8.820   0.416
  111    HB3  ALA  16           3HB      ALA  16  -5.716  -7.937   0.646
  112    H    LYS  17           H        LYS  17  -9.101  -7.066   3.611
  113    HA   LYS  17           HA       LYS  17  -9.777  -9.392   5.108
  114    HB2  LYS  17           2HB      LYS  17 -11.556  -7.024   4.368
  115    HB3  LYS  17           3HB      LYS  17 -11.875  -8.214   5.633
  116    HG2  LYS  17           2HG      LYS  17  -9.685  -7.509   6.732
  117    HG3  LYS  17           3HG      LYS  17  -9.617  -6.169   5.574
  118    HD2  LYS  17           2HD      LYS  17 -11.878  -5.400   6.400
  119    HD3  LYS  17           3HD      LYS  17 -11.855  -6.732   7.560
  120    HE2  LYS  17           2HE      LYS  17 -11.118  -5.008   8.889
  121    HE3  LYS  17           3HE      LYS  17  -9.592  -5.735   8.383
  122    HZ1  LYS  17           3HZ      LYS  17  -9.547  -3.317   8.169
  123    HZ2  LYS  17           1HZ      LYS  17  -9.432  -3.942   6.666
  124    HZ3  LYS  17           2HZ      LYS  17 -10.845  -3.311   7.188
  125    H    SER  18           H        SER  18 -10.720  -8.487   1.893
  126    HA   SER  18           HA       SER  18 -11.991 -11.117   1.437
  127    HB2  SER  18           2HB      SER  18 -13.345  -8.476   0.729
  128    HB3  SER  18           3HB      SER  18 -13.887 -10.087   0.221
  129    HG   SER  18           HG       SER  18 -15.015  -9.324   2.074
  130    H    ASN  19           H        ASN  19 -12.050 -11.685  -0.823
  131    HA   ASN  19           HA       ASN  19  -9.857 -10.609  -2.399
  132    HB2  ASN  19           2HB      ASN  19 -10.347 -13.026  -2.131
  133    HB3  ASN  19           3HB      ASN  19 -11.899 -12.798  -2.947
  134   HD21  ASN  19          2HD2      ASN  19  -8.626 -11.506  -3.911
  135   HD22  ASN  19          1HD2      ASN  19  -8.598 -12.473  -5.372
  136    H    ARG  20           H        ARG  20 -11.995  -8.715  -1.966
  137    HA   ARG  20           HA       ARG  20 -13.293  -8.374  -4.635
  138    HB2  ARG  20           2HB      ARG  20 -13.867  -7.034  -1.958
  139    HB3  ARG  20           3HB      ARG  20 -14.754  -6.746  -3.451
  140    HG2  ARG  20           2HG      ARG  20 -14.637  -9.398  -1.946
  141    HG3  ARG  20           3HG      ARG  20 -15.971  -8.246  -1.944
  142    HD2  ARG  20           2HD      ARG  20 -16.208  -8.582  -4.435
  143    HD3  ARG  20           3HD      ARG  20 -14.946  -9.810  -4.350
  144    HE   ARG  20           HE       ARG  20 -16.397 -11.311  -3.341
  145   HH11  ARG  20          1HH2      ARG  20 -18.063  -8.226  -3.510
  146   HH12  ARG  20          2HH2      ARG  20 -19.599  -8.939  -3.102
  147   HH21  ARG  20          1HH1      ARG  20 -18.385 -12.141  -2.825
  148   HH22  ARG  20          2HH1      ARG  20 -19.770 -11.093  -2.725
  149    H    SER  21           H        SER  21 -10.796  -6.933  -2.675
  150    HA   SER  21           HA       SER  21 -10.604  -4.433  -4.139
  151    HB2  SER  21           2HB      SER  21  -8.534  -6.013  -2.561
  152    HB3  SER  21           3HB      SER  21  -8.257  -4.403  -3.255
  153    HG   SER  21           HG       SER  21  -9.956  -3.610  -1.974
  154    H    THR  22           H        THR  22  -9.247  -3.897  -5.862
  155    HA   THR  22           HA       THR  22  -7.812  -6.095  -7.284
  156    HB   THR  22           HB       THR  22  -9.459  -3.957  -8.629
  157    HG1  THR  22           1HG      THR  22 -10.773  -5.568  -7.760
  158   HG21  THR  22          1HG2      THR  22  -7.531  -4.649 -10.025
  159   HG22  THR  22          2HG2      THR  22  -8.015  -6.351  -9.834
  160   HG23  THR  22          3HG2      THR  22  -9.058  -5.217 -10.710
  161    H    CYS  23           HN       CYS  23  -5.838  -5.599  -7.960
  162    HA   CYS  23           HA       CYS  23  -4.604  -3.203  -6.954
  163    HB2  CYS  23           2HB      CYS  23  -3.513  -5.336  -6.855
  164    HB3  CYS  23           3HB      CYS  23  -3.746  -5.582  -8.587
  165    H    LYS  24           H        LYS  24  -4.825  -1.345  -7.929
  166    HA   LYS  24           HA       LYS  24  -5.237  -0.976 -10.804
  167    HB2  LYS  24           2HB      LYS  24  -4.673   0.965  -8.539
  168    HB3  LYS  24           3HB      LYS  24  -5.257   1.395 -10.161
  169    HG2  LYS  24           2HG      LYS  24  -6.751  -0.161  -8.003
  170    HG3  LYS  24           3HG      LYS  24  -7.116   1.442  -8.610
  171    HD2  LYS  24           2HD      LYS  24  -7.668   0.462 -10.842
  172    HD3  LYS  24           3HD      LYS  24  -7.436  -1.161 -10.135
  173    HE2  LYS  24           2HE      LYS  24  -9.161  -0.708  -8.444
  174    HE3  LYS  24           3HE      LYS  24  -9.376   0.934  -9.065
  175    HZ1  LYS  24           3HZ      LYS  24 -11.077  -0.552  -9.936
  176    HZ2  LYS  24           1HZ      LYS  24 -10.151  -0.027 -11.170
  177    HZ3  LYS  24           2HZ      LYS  24  -9.968  -1.549 -10.595
  178    H    GLY  25           H        GLY  25  -2.523  -1.654  -8.954
  179    HA2  GLY  25           2HA      GLY  25  -0.523  -0.259 -10.588
  180    HA3  GLY  25           3HA      GLY  25  -0.236  -1.487  -9.356
  181    H    CYS  26           HN       CYS  26  -2.003  -3.493 -10.695
  182    HA   CYS  26           HA       CYS  26  -0.636  -3.890 -13.296
  183    HB2  CYS  26           2HB      CYS  26   0.070  -6.106 -12.862
  184    HB3  CYS  26           3HB      CYS  26   0.718  -5.066 -11.596
  185    H    MET  27           H        MET  27  -3.600  -3.850 -11.846
  186    HA   MET  27           HA       MET  27  -5.663  -4.413 -12.432
  187    HB2  MET  27           2HB      MET  27  -4.574  -4.964 -15.203
  188    HB3  MET  27           3HB      MET  27  -6.270  -4.780 -14.796
  189    HG2  MET  27           2HG      MET  27  -4.381  -2.526 -14.116
  190    HG3  MET  27           3HG      MET  27  -4.816  -2.809 -15.787
  191    HE1  MET  27           3HE      MET  27  -7.520  -3.284 -12.738
  192    HE2  MET  27           1HE      MET  27  -6.227  -2.178 -12.219
  193    HE3  MET  27           2HE      MET  27  -7.866  -1.556 -12.530
  194    H    GLU  28           H        GLU  28  -4.593  -6.229 -10.896
  195    HA   GLU  28           HA       GLU  28  -6.074  -8.653 -11.751
  196    HB2  GLU  28           2HB      GLU  28  -3.276  -8.765 -10.545
  197    HB3  GLU  28           3HB      GLU  28  -4.401 -10.119 -10.656
  198    HG2  GLU  28           2HG      GLU  28  -4.469  -9.739 -13.176
  199    HG3  GLU  28           3HG      GLU  28  -3.125  -8.612 -12.966
  200    H    LYS  29           H        LYS  29  -6.965  -9.862  -9.982
  201    HA   LYS  29           HA       LYS  29  -7.849  -8.033  -7.942
  202    HB2  LYS  29           2HB      LYS  29  -9.301  -9.772  -7.143
  203    HB3  LYS  29           3HB      LYS  29  -9.431  -9.566  -8.887
  204    HG2  LYS  29           2HG      LYS  29  -8.098 -11.605  -9.272
  205    HG3  LYS  29           3HG      LYS  29  -7.842 -11.787  -7.523
  206    HD2  LYS  29           2HD      LYS  29 -10.313 -11.947  -7.202
  207    HD3  LYS  29           3HD      LYS  29 -10.535 -11.894  -8.958
  208    HE2  LYS  29           2HE      LYS  29  -9.384 -13.981  -9.270
  209    HE3  LYS  29           3HE      LYS  29  -8.747 -13.962  -7.621
  210    HZ1  LYS  29           3HZ      LYS  29 -10.647 -15.462  -7.810
  211    HZ2  LYS  29           1HZ      LYS  29 -10.982 -14.240  -6.772
  212    HZ3  LYS  29           2HZ      LYS  29 -11.626 -14.242  -8.284
  213    H    ILE  30           H        ILE  30  -7.465  -7.866  -5.852
  214    HA   ILE  30           HA       ILE  30  -4.895  -8.887  -4.914
  215    HB   ILE  30           HB       ILE  30  -6.948  -6.946  -3.868
  216   HG12  ILE  30          2HG1      ILE  30  -3.995  -6.574  -4.540
  217   HG13  ILE  30          3HG1      ILE  30  -5.252  -6.454  -5.759
  218   HG21  ILE  30          1HG2      ILE  30  -4.381  -7.682  -2.418
  219   HG22  ILE  30          2HG2      ILE  30  -5.541  -6.410  -1.979
  220   HG23  ILE  30          3HG2      ILE  30  -6.027  -8.092  -1.860
  221   HD11  ILE  30          3HD1      ILE  30  -6.295  -4.581  -4.572
  222   HD12  ILE  30          1HD1      ILE  30  -5.019  -4.651  -3.323
  223   HD13  ILE  30          2HD1      ILE  30  -4.610  -4.260  -5.000
  224    H    GLU  31           H        GLU  31  -4.479 -10.542  -3.588
  225    HA   GLU  31           HA       GLU  31  -6.559 -12.490  -3.154
  226    HB2  GLU  31           2HB      GLU  31  -3.706 -12.578  -2.125
  227    HB3  GLU  31           3HB      GLU  31  -4.830 -13.922  -2.333
  228    HG2  GLU  31           2HG      GLU  31  -4.803 -13.353  -4.841
  229    HG3  GLU  31           3HG      GLU  31  -3.453 -12.264  -4.466
  230    H    LYS  32           H        LYS  32  -7.541 -13.111  -1.305
  231    HA   LYS  32           HA       LYS  32  -7.701 -11.356   0.968
  232    HB2  LYS  32           2HB      LYS  32  -9.535 -12.842   0.271
  233    HB3  LYS  32           3HB      LYS  32  -8.563 -14.265   0.684
  234    HG2  LYS  32           2HG      LYS  32  -8.538 -13.576   3.063
  235    HG3  LYS  32           3HG      LYS  32  -9.448 -12.105   2.655
  236    HD2  LYS  32           2HD      LYS  32 -11.348 -13.453   1.925
  237    HD3  LYS  32           3HD      LYS  32 -10.428 -14.949   2.226
  238    HE2  LYS  32           2HE      LYS  32 -10.260 -14.387   4.623
  239    HE3  LYS  32           3HE      LYS  32 -11.117 -12.867   4.349
  240    HZ1  LYS  32           3HZ      LYS  32 -12.280 -15.566   3.908
  241    HZ2  LYS  32           1HZ      LYS  32 -12.611 -14.593   5.174
  242    HZ3  LYS  32           2HZ      LYS  32 -13.069 -14.151   3.674
  243    H    GLY  33           H        GLY  33  -6.868 -11.465   2.996
  244    HA2  GLY  33           2HA      GLY  33  -5.563 -12.096   4.778
  245    HA3  GLY  33           3HA      GLY  33  -5.317 -13.663   4.012
  246    H    GLN  34           H        GLN  34  -4.191 -11.083   1.984
  247    HA   GLN  34           HA       GLN  34  -1.536 -10.996   3.303
  248    HB2  GLN  34           2HB      GLN  34  -0.383 -10.967   1.178
  249    HB3  GLN  34           3HB      GLN  34  -1.229 -12.472   1.465
  250    HG2  GLN  34           2HG      GLN  34  -1.476 -11.972  -0.859
  251    HG3  GLN  34           3HG      GLN  34  -3.044 -11.731  -0.108
  252   HE21  GLN  34          2HE2      GLN  34  -4.017  -9.703  -0.454
  253   HE22  GLN  34          1HE2      GLN  34  -3.057  -8.242  -0.497
  254    H    VAL  35           H        VAL  35  -0.309  -8.928   2.432
  255    HA   VAL  35           HA       VAL  35  -1.882  -6.771   3.476
  256    HB   VAL  35           HB       VAL  35   0.784  -6.694   2.025
  257   HG11  VAL  35          1HG1      VAL  35  -0.140  -4.430   2.060
  258   HG12  VAL  35          2HG1      VAL  35  -0.547  -4.587   3.788
  259   HG13  VAL  35          3HG1      VAL  35   1.146  -4.552   3.251
  260   HG21  VAL  35          3HG2      VAL  35   1.745  -6.568   4.300
  261   HG22  VAL  35          1HG2      VAL  35   0.128  -6.719   5.008
  262   HG23  VAL  35          2HG2      VAL  35   0.845  -8.066   4.100
  263    H    ARG  36           H        ARG  36  -2.784  -4.939   2.543
  264    HA   ARG  36           HA       ARG  36  -2.585  -4.569  -0.384
  265    HB2  ARG  36           2HB      ARG  36  -4.930  -3.943  -0.603
  266    HB3  ARG  36           3HB      ARG  36  -4.737  -5.627  -0.112
  267    HG2  ARG  36           2HG      ARG  36  -5.404  -5.147   2.153
  268    HG3  ARG  36           3HG      ARG  36  -5.446  -3.412   1.847
  269    HD2  ARG  36           2HD      ARG  36  -7.298  -3.665   0.273
  270    HD3  ARG  36           3HD      ARG  36  -7.223  -5.426   0.420
  271    HE   ARG  36           HE       ARG  36  -7.568  -4.278   3.026
  272   HH11  ARG  36          1HH2      ARG  36  -9.547  -4.803   0.137
  273   HH12  ARG  36          2HH2      ARG  36 -10.987  -4.919   1.097
  274   HH21  ARG  36          1HH1      ARG  36  -9.444  -4.165   4.061
  275   HH22  ARG  36          2HH1      ARG  36 -10.950  -4.541   3.247
  276    H    LEU  37           H        LEU  37  -2.170  -2.526  -0.964
  277    HA   LEU  37           HA       LEU  37  -2.232  -0.432   1.152
  278    HB2  LEU  37           2HB      LEU  37  -0.459  -0.381  -1.305
  279    HB3  LEU  37           3HB      LEU  37  -0.472   0.697   0.117
  280    HG   LEU  37           HG       LEU  37   1.455  -0.483   0.305
  281   HD11  LEU  37          1HD1      LEU  37  -0.419  -1.985   2.145
  282   HD12  LEU  37          2HD1      LEU  37   1.297  -1.584   2.397
  283   HD13  LEU  37          3HD1      LEU  37   0.077  -0.292   2.307
  284   HD21  LEU  37          3HD2      LEU  37   0.025  -3.167   0.036
  285   HD22  LEU  37          1HD2      LEU  37   0.964  -2.373  -1.243
  286   HD23  LEU  37          2HD2      LEU  37   1.748  -2.861   0.280
  287    H    SER  38           H        SER  38  -2.897   1.683   0.537
  288    HA   SER  38           HA       SER  38  -4.239   1.940  -2.092
  289    HB2  SER  38           2HB      SER  38  -6.056   1.444  -0.622
  290    HB3  SER  38           3HB      SER  38  -5.461   2.589   0.595
  291    HG   SER  38           HG       SER  38  -7.126   3.530  -0.531
  292    H    LYS  39           H        LYS  39  -4.287   4.035  -2.947
  293    HA   LYS  39           HA       LYS  39  -3.125   6.249  -1.301
  294    HB2  LYS  39           2HB      LYS  39  -1.445   5.770  -2.972
  295    HB3  LYS  39           3HB      LYS  39  -2.653   5.784  -4.264
  296    HG2  LYS  39           2HG      LYS  39  -3.043   8.162  -3.989
  297    HG3  LYS  39           3HG      LYS  39  -2.012   8.226  -2.539
  298    HD2  LYS  39           2HD      LYS  39  -0.037   7.740  -3.851
  299    HD3  LYS  39           3HD      LYS  39  -1.028   7.373  -5.279
  300    HE2  LYS  39           2HE      LYS  39  -0.363   9.445  -5.873
  301    HE3  LYS  39           3HE      LYS  39  -1.865   9.848  -5.041
  302    HZ1  LYS  39           3HZ      LYS  39   0.016  11.256  -4.364
  303    HZ2  LYS  39           1HZ      LYS  39  -0.556  10.435  -3.082
  304    HZ3  LYS  39           2HZ      LYS  39   0.846   9.946  -3.835
  305    H    LYS  40           H        LYS  40  -4.332   8.016  -1.132
  306    HA   LYS  40           HA       LYS  40  -6.959   8.137  -2.496
  307    HB2  LYS  40           2HB      LYS  40  -7.114   8.442  -0.211
  308    HB3  LYS  40           3HB      LYS  40  -5.762   9.529  -0.109
  309    HG2  LYS  40           2HG      LYS  40  -8.356  10.211  -1.615
  310    HG3  LYS  40           3HG      LYS  40  -8.161  10.464   0.114
  311    HD2  LYS  40           2HD      LYS  40  -6.822  11.929  -2.143
  312    HD3  LYS  40           3HD      LYS  40  -7.764  12.573  -0.807
  313    HE2  LYS  40           2HE      LYS  40  -5.922  12.090   0.774
  314    HE3  LYS  40           3HE      LYS  40  -5.012  11.296  -0.521
  315    HZ1  LYS  40           3HZ      LYS  40  -5.553  14.183  -0.315
  316    HZ2  LYS  40           1HZ      LYS  40  -4.104  13.377  -0.384
  317    HZ3  LYS  40           2HZ      LYS  40  -5.026  13.462  -1.702
  318    H    MET  41           H        MET  41  -6.970   8.985  -4.488
  319    HA   MET  41           HA       MET  41  -5.967  11.675  -4.906
  320    HB2  MET  41           2HB      MET  41  -4.469  11.274  -6.763
  321    HB3  MET  41           3HB      MET  41  -3.844  10.589  -5.271
  322    HG2  MET  41           2HG      MET  41  -4.578   8.341  -5.975
  323    HG3  MET  41           3HG      MET  41  -5.249   9.021  -7.465
  324    HE1  MET  41           3HE      MET  41  -3.350   6.630  -7.289
  325    HE2  MET  41           1HE      MET  41  -4.007   7.289  -8.807
  326    HE3  MET  41           2HE      MET  41  -2.262   6.924  -8.677
  327    H    VAL  42           H        VAL  42  -6.916  12.719  -6.707
  328    HA   VAL  42           HA       VAL  42  -9.113  11.576  -8.049
  329    HB   VAL  42           HB       VAL  42  -8.860  13.941  -7.908
  330   HG11  VAL  42          1HG1      VAL  42  -7.288  15.247  -9.222
  331   HG12  VAL  42          2HG1      VAL  42  -6.408  14.206  -8.099
  332   HG13  VAL  42          3HG1      VAL  42  -6.503  13.776  -9.823
  333   HG21  VAL  42          3HG2      VAL  42  -8.762  13.102 -10.810
  334   HG22  VAL  42          1HG2      VAL  42 -10.180  13.001  -9.732
  335   HG23  VAL  42          2HG2      VAL  42  -9.485  14.579 -10.134
  336    H    ASP  43           H        ASP  43  -9.348  10.206  -9.694
  337    HA   ASP  43           HA       ASP  43  -7.025   8.780 -10.653
  338    HB2  ASP  43           2HB      ASP  43  -9.133   7.664 -10.144
  339    HB3  ASP  43           3HB      ASP  43  -9.954   8.570 -11.412
  340    HA   PRO  44           HA       PRO  44  -6.214  11.443 -14.050
  341    HB2  PRO  44           2HB      PRO  44  -4.388   9.961 -15.490
  342    HB3  PRO  44           3HB      PRO  44  -4.035  10.701 -13.900
  343    HG2  PRO  44           2HG      PRO  44  -4.939   7.849 -14.454
  344    HG3  PRO  44           3HG      PRO  44  -3.544   8.394 -13.458
  345    HD2  PRO  44           2HD      PRO  44  -5.894   7.763 -12.327
  346    HD3  PRO  44           3HD      PRO  44  -4.966   9.179 -11.745
  347    H    GLU  45           H        GLU  45  -7.773   8.375 -14.652
  348    HA   GLU  45           HA       GLU  45  -8.437   9.164 -17.467
  349    HB2  GLU  45           2HB      GLU  45  -8.879   6.542 -15.991
  350    HB3  GLU  45           3HB      GLU  45  -9.301   6.865 -17.665
  351    HG2  GLU  45           2HG      GLU  45  -6.490   6.792 -16.492
  352    HG3  GLU  45           3HG      GLU  45  -7.236   5.570 -17.509
  353    H    LYS  46           H        LYS  46  -9.636   9.333 -14.303
  354    HA   LYS  46           HA       LYS  46 -12.437   9.846 -15.192
  355    HB2  LYS  46           2HB      LYS  46 -11.614   8.019 -12.909
  356    HB3  LYS  46           3HB      LYS  46 -13.269   8.497 -13.296
  357    HG2  LYS  46           2HG      LYS  46 -13.195   7.339 -15.422
  358    HG3  LYS  46           3HG      LYS  46 -11.516   6.846 -15.156
  359    HD2  LYS  46           2HD      LYS  46 -13.844   6.188 -13.314
  360    HD3  LYS  46           3HD      LYS  46 -13.231   5.091 -14.560
  361    HE2  LYS  46           2HE      LYS  46 -11.782   6.042 -12.050
  362    HE3  LYS  46           3HE      LYS  46 -12.358   4.414 -12.404
  363    HZ1  LYS  46           3HZ      LYS  46 -10.716   4.410 -14.294
  364    HZ2  LYS  46           1HZ      LYS  46 -10.097   5.834 -13.719
  365    HZ3  LYS  46           2HZ      LYS  46 -10.017   4.493 -12.817
  366    HA   PRO  47           HA       PRO  47 -10.811  12.763 -11.874
  367    HB2  PRO  47           2HB      PRO  47 -10.744  15.165 -13.193
  368    HB3  PRO  47           3HB      PRO  47  -9.381  14.010 -13.136
  369    HG2  PRO  47           2HG      PRO  47 -11.485  14.299 -15.318
  370    HG3  PRO  47           3HG      PRO  47  -9.701  14.212 -15.510
  371    HD2  PRO  47           2HD      PRO  47 -11.274  12.023 -15.838
  372    HD3  PRO  47           3HD      PRO  47  -9.668  11.908 -15.056
  373    H    GLN  48           H        GLN  48 -13.531  12.575 -13.979
  374    HA   GLN  48           HA       GLN  48 -15.313  14.455 -12.746
  375    HB2  GLN  48           2HB      GLN  48 -15.818  11.802 -14.164
  376    HB3  GLN  48           3HB      GLN  48 -17.078  12.948 -13.691
  377    HG2  GLN  48           2HG      GLN  48 -16.041  14.697 -15.123
  378    HG3  GLN  48           3HG      GLN  48 -14.806  13.547 -15.641
  379   HE21  GLN  48          2HE2      GLN  48 -18.347  14.207 -15.743
  380   HE22  GLN  48          1HE2      GLN  48 -18.616  13.210 -17.167
  381    H    LEU  49           H        LEU  49 -14.205  11.205 -11.667
  382    HA   LEU  49           HA       LEU  49 -16.140  10.888  -9.538
  383    HB2  LEU  49           2HB      LEU  49 -13.216  10.055  -9.831
  384    HB3  LEU  49           3HB      LEU  49 -14.275   9.484  -8.555
  385    HG   LEU  49           HG       LEU  49 -14.719   8.932 -11.520
  386   HD11  LEU  49          1HD1      LEU  49 -13.650   7.242  -9.229
  387   HD12  LEU  49          2HD1      LEU  49 -13.919   6.674 -10.894
  388   HD13  LEU  49          3HD1      LEU  49 -12.676   7.910 -10.549
  389   HD21  LEU  49          3HD2      LEU  49 -16.069   7.908  -8.981
  390   HD22  LEU  49          1HD2      LEU  49 -16.821   8.883 -10.263
  391   HD23  LEU  49          2HD2      LEU  49 -16.313   7.224 -10.609
  392    H    GLY  50           H        GLY  50 -13.239  12.885  -9.823
  393    HA2  GLY  50           2HA      GLY  50 -11.982  14.051  -8.246
  394    HA3  GLY  50           3HA      GLY  50 -13.193  13.711  -7.007
  395    H    MET  51           H        MET  51 -11.762  12.934  -5.540
  396    HA   MET  51           HA       MET  51  -9.570  11.247  -6.038
  397    HB2  MET  51           2HB      MET  51 -10.626  11.788  -3.273
  398    HB3  MET  51           3HB      MET  51  -8.965  11.631  -3.840
  399    HG2  MET  51           2HG      MET  51  -9.574  13.833  -5.226
  400    HG3  MET  51           3HG      MET  51 -10.876  13.967  -4.045
  401    HE1  MET  51           3HE      MET  51  -6.378  14.536  -3.516
  402    HE2  MET  51           1HE      MET  51  -7.132  13.068  -4.196
  403    HE3  MET  51           2HE      MET  51  -7.336  14.622  -5.018
  404    H    ILE  52           H        ILE  52  -9.254   9.078  -5.806
  405    HA   ILE  52           HA       ILE  52 -11.403   7.508  -4.463
  406    HB   ILE  52           HB       ILE  52 -10.796   5.606  -5.948
  407   HG12  ILE  52          2HG1      ILE  52  -9.528   7.641  -7.822
  408   HG13  ILE  52          3HG1      ILE  52  -8.567   6.659  -6.714
  409   HG21  ILE  52          1HG2      ILE  52 -12.817   6.977  -6.212
  410   HG22  ILE  52          2HG2      ILE  52 -11.960   8.004  -7.394
  411   HG23  ILE  52          3HG2      ILE  52 -12.246   6.276  -7.731
  412   HD11  ILE  52          3HD1      ILE  52  -8.630   5.573  -8.867
  413   HD12  ILE  52          1HD1      ILE  52  -9.510   4.594  -7.671
  414   HD13  ILE  52          2HD1      ILE  52 -10.400   5.563  -8.875
  415    H    ASP  53           H        ASP  53 -10.794   5.517  -3.622
  416    HA   ASP  53           HA       ASP  53  -8.150   5.534  -2.250
  417    HB2  ASP  53           2HB      ASP  53 -10.723   3.969  -1.759
  418    HB3  ASP  53           3HB      ASP  53  -9.211   3.675  -0.906
  419    H    ARG  54           H        ARG  54  -6.893   4.948  -3.970
  420    HA   ARG  54           HA       ARG  54  -7.659   2.809  -5.843
  421    HB2  ARG  54           2HB      ARG  54  -6.448   5.226  -6.114
  422    HB3  ARG  54           3HB      ARG  54  -5.009   4.214  -6.003
  423    HG2  ARG  54           2HG      ARG  54  -5.579   3.004  -7.962
  424    HG3  ARG  54           3HG      ARG  54  -7.251   3.634  -7.963
  425    HD2  ARG  54           2HD      ARG  54  -6.306   5.952  -8.235
  426    HD3  ARG  54           3HD      ARG  54  -4.709   5.222  -8.426
  427    HE   ARG  54           HE       ARG  54  -6.910   5.302 -10.374
  428   HH11  ARG  54          1HH2      ARG  54  -3.770   3.780  -9.747
  429   HH12  ARG  54          2HH2      ARG  54  -3.551   3.480 -11.449
  430   HH21  ARG  54          1HH1      ARG  54  -6.556   4.963 -12.337
  431   HH22  ARG  54          2HH1      ARG  54  -5.124   4.120 -12.937
  432    H    TRP  55           H        TRP  55  -7.278   0.719  -5.250
  433    HA   TRP  55           HA       TRP  55  -5.230   0.121  -3.277
  434    HB2  TRP  55           2HB      TRP  55  -7.236  -1.670  -4.650
  435    HB3  TRP  55           3HB      TRP  55  -6.100  -2.202  -3.420
  436    HD1  TRP  55           HD1      TRP  55  -9.406  -0.504  -3.821
  437    HE1  TRP  55           HE1      TRP  55 -10.431   0.059  -1.543
  438    HE3  TRP  55           HE3      TRP  55  -5.370  -1.546  -0.802
  439    HZ2  TRP  55           HZ2      TRP  55  -9.599   0.143   1.211
  440    HZ3  TRP  55           HZ3      TRP  55  -5.497  -1.105   1.630
  441    HH2  TRP  55           HH2      TRP  55  -7.603  -0.280   2.653
  442    H    TYR  56           H        TYR  56  -3.606  -1.352  -3.394
  443    HA   TYR  56           HA       TYR  56  -2.494  -2.343  -5.948
  444    HB2  TYR  56           2HB      TYR  56  -1.029  -0.710  -3.827
  445    HB3  TYR  56           3HB      TYR  56  -0.295  -1.435  -5.253
  446    HD1  TYR  56           HD2      TYR  56  -0.938  -0.630  -7.520
  447    HD2  TYR  56           HD1      TYR  56  -2.131   1.447  -3.958
  448    HE1  TYR  56           HE2      TYR  56  -1.607   1.364  -8.908
  449    HE2  TYR  56           HE1      TYR  56  -2.802   3.413  -5.322
  450    HH   TYR  56           HH       TYR  56  -2.949   4.300  -7.402
  451    H    HIS  57           H        HIS  57  -1.048  -4.030  -5.715
  452    HA   HIS  57           HA       HIS  57  -1.096  -5.841  -3.388
  453    HB2  HIS  57           2HB      HIS  57   0.649  -5.757  -5.862
  454    HB3  HIS  57           3HB      HIS  57   0.807  -6.975  -4.633
  455    HD2  HIS  57           HD2      HIS  57  -1.640  -8.403  -4.103
  456    HE1  HIS  57           HE1      HIS  57  -2.803  -8.254  -8.194
  457    HE2  HIS  57           HE2      HIS  57  -3.165  -9.448  -5.994
  458    HA   PRO  58           HA       PRO  58   2.526  -4.055  -1.276
  459    HB2  PRO  58           2HB      PRO  58   3.824  -6.280  -0.303
  460    HB3  PRO  58           3HB      PRO  58   2.330  -5.585   0.389
  461    HG2  PRO  58           2HG      PRO  58   2.581  -7.890  -1.566
  462    HG3  PRO  58           3HG      PRO  58   1.589  -7.801  -0.071
  463    HD2  PRO  58           2HD      PRO  58   0.483  -7.360  -2.480
  464    HD3  PRO  58           3HD      PRO  58   0.033  -6.348  -1.082
  465    H    GLY  59           H        GLY  59   3.059  -6.278  -3.916
  466    HA2  GLY  59           2HA      GLY  59   5.893  -5.489  -4.273
  467    HA3  GLY  59           3HA      GLY  59   4.915  -6.480  -5.361
  468    H    CYS  60           HN       CYS  60   2.746  -4.891  -5.939
  469    HA   CYS  60           HA       CYS  60   3.840  -3.329  -7.956
  470    HB2  CYS  60           2HB      CYS  60   0.981  -3.360  -6.929
  471    HB3  CYS  60           3HB      CYS  60   1.507  -2.849  -8.542
  472    H    PHE  61           H        PHE  61   2.362  -2.209  -4.874
  473    HA   PHE  61           HA       PHE  61   2.328   0.539  -5.638
  474    HB2  PHE  61           2HB      PHE  61   1.551   0.939  -3.589
  475    HB3  PHE  61           3HB      PHE  61   1.372  -0.808  -3.525
  476    HD1  PHE  61           HD2      PHE  61   3.113  -2.190  -2.420
  477    HD2  PHE  61           HD1      PHE  61   3.187   2.089  -2.256
  478    HE1  PHE  61           HE2      PHE  61   4.528  -2.308  -0.353
  479    HE2  PHE  61           HE1      PHE  61   4.589   2.001  -0.181
  480    HZ   PHE  61           HZ       PHE  61   5.252  -0.203   0.768
  481    H    VAL  62           H        VAL  62   4.973  -1.444  -4.338
  482    HA   VAL  62           HA       VAL  62   6.932   0.696  -4.237
  483    HB   VAL  62           HB       VAL  62   7.381  -2.302  -4.482
  484   HG11  VAL  62          1HG1      VAL  62   9.406  -1.110  -5.079
  485   HG12  VAL  62          2HG1      VAL  62   9.257  -0.053  -3.648
  486   HG13  VAL  62          3HG1      VAL  62   9.597  -1.787  -3.469
  487   HG21  VAL  62          3HG2      VAL  62   7.194  -0.480  -2.046
  488   HG22  VAL  62          1HG2      VAL  62   6.137  -1.847  -2.468
  489   HG23  VAL  62          2HG2      VAL  62   7.802  -2.152  -2.013
  490    H    LYS  63           H        LYS  63   5.908  -1.546  -6.823
  491    HA   LYS  63           HA       LYS  63   7.927  -0.825  -8.725
  492    HB2  LYS  63           2HB      LYS  63   6.554  -2.846  -8.924
  493    HB3  LYS  63           3HB      LYS  63   5.093  -1.876  -9.079
  494    HG2  LYS  63           2HG      LYS  63   5.877  -0.966 -11.239
  495    HG3  LYS  63           3HG      LYS  63   7.350  -1.933 -11.095
  496    HD2  LYS  63           2HD      LYS  63   5.757  -3.029 -12.581
  497    HD3  LYS  63           3HD      LYS  63   6.029  -4.002 -11.143
  498    HE2  LYS  63           2HE      LYS  63   3.693  -4.075 -11.764
  499    HE3  LYS  63           3HE      LYS  63   3.854  -3.290 -10.198
  500    HZ1  LYS  63           3HZ      LYS  63   3.604  -1.755 -12.732
  501    HZ2  LYS  63           1HZ      LYS  63   2.309  -2.184 -11.840
  502    HZ3  LYS  63           2HZ      LYS  63   3.402  -1.179 -11.198
  503    H    ASN  64           H        ASN  64   4.767   0.670  -8.026
  504    HA   ASN  64           HA       ASN  64   5.399   2.896  -9.905
  505    HB2  ASN  64           2HB      ASN  64   2.768   3.289  -9.374
  506    HB3  ASN  64           3HB      ASN  64   3.454   2.511 -10.774
  507   HD21  ASN  64          1HD2      ASN  64   1.766   1.917  -7.695
  508   HD22  ASN  64          2HD2      ASN  64   1.268   0.306  -8.200
  509    H    ARG  65           H        ARG  65   6.409   2.513  -6.997
  510    HA   ARG  65           HA       ARG  65   5.279   4.344  -5.303
  511    HB2  ARG  65           2HB      ARG  65   7.242   4.272  -4.064
  512    HB3  ARG  65           3HB      ARG  65   7.331   2.790  -4.987
  513    HG2  ARG  65           2HG      ARG  65   8.799   4.115  -6.678
  514    HG3  ARG  65           3HG      ARG  65   8.816   5.405  -5.467
  515    HD2  ARG  65           2HD      ARG  65  10.798   4.279  -5.104
  516    HD3  ARG  65           3HD      ARG  65   9.733   3.639  -3.838
  517    HE   ARG  65           HE       ARG  65   9.375   1.852  -5.902
  518   HH11  ARG  65          1HH2      ARG  65  12.303   2.907  -4.276
  519   HH12  ARG  65          2HH2      ARG  65  13.199   1.517  -4.819
  520   HH21  ARG  65          1HH1      ARG  65  10.584   0.193  -6.623
  521   HH22  ARG  65          2HH1      ARG  65  12.239  -0.001  -6.106
  522    H    GLU  66           H        GLU  66   7.383   5.161  -8.013
  523    HA   GLU  66           HA       GLU  66   7.524   7.976  -7.341
  524    HB2  GLU  66           2HB      GLU  66   8.707   8.208  -9.483
  525    HB3  GLU  66           3HB      GLU  66   9.392   6.968  -8.436
  526    HG2  GLU  66           2HG      GLU  66   8.316   5.194  -9.771
  527    HG3  GLU  66           3HG      GLU  66   7.551   6.407 -10.802
  528    H    GLU  67           H        GLU  67   5.324   6.034  -9.241
  529    HA   GLU  67           HA       GLU  67   3.961   8.307 -10.485
  530    HB2  GLU  67           2HB      GLU  67   4.049   6.063 -11.532
  531    HB3  GLU  67           3HB      GLU  67   3.074   5.423 -10.205
  532    HG2  GLU  67           2HG      GLU  67   1.207   6.885 -10.809
  533    HG3  GLU  67           3HG      GLU  67   2.195   7.697 -12.029
  534    H    LEU  68           H        LEU  68   3.566   6.175  -7.647
  535    HA   LEU  68           HA       LEU  68   1.271   7.591  -6.555
  536    HB2  LEU  68           2HB      LEU  68   3.258   5.688  -5.273
  537    HB3  LEU  68           3HB      LEU  68   1.734   6.198  -4.553
  538    HG   LEU  68           HG       LEU  68   2.084   4.493  -7.056
  539   HD11  LEU  68          1HD1      LEU  68   1.007   3.841  -4.289
  540   HD12  LEU  68          2HD1      LEU  68   1.049   2.736  -5.673
  541   HD13  LEU  68          3HD1      LEU  68   2.568   3.318  -4.960
  542   HD21  LEU  68          3HD2      LEU  68  -0.528   5.185  -5.690
  543   HD22  LEU  68          1HD2      LEU  68   0.033   5.923  -7.219
  544   HD23  LEU  68          2HD2      LEU  68  -0.258   4.196  -7.139
  545    H    GLY  69           H        GLY  69   4.612   8.419  -6.616
  546    HA2  GLY  69           2HA      GLY  69   5.409  10.548  -6.125
  547    HA3  GLY  69           3HA      GLY  69   3.945  10.914  -5.212
  548    H    PHE  70           H        PHE  70   5.702   8.003  -4.386
  549    HA   PHE  70           HA       PHE  70   6.212   8.780  -1.670
  550    HB2  PHE  70           2HB      PHE  70   7.085   6.487  -3.432
  551    HB3  PHE  70           3HB      PHE  70   7.808   6.709  -1.861
  552    HD1  PHE  70           HD1      PHE  70   4.594   5.920  -3.562
  553    HD2  PHE  70           HD2      PHE  70   6.653   6.321   0.181
  554    HE1  PHE  70           HE1      PHE  70   2.802   4.616  -2.442
  555    HE2  PHE  70           HE2      PHE  70   4.895   4.990   1.312
  556    HZ   PHE  70           HZ       PHE  70   2.964   4.125  -0.014
  557    H    ARG  71           H        ARG  71   7.979   9.408  -0.613
  558    HA   ARG  71           HA       ARG  71  10.599   9.772  -1.971
  559    HB2  ARG  71           2HB      ARG  71   9.230  11.704  -0.057
  560    HB3  ARG  71           3HB      ARG  71  10.908  11.833  -0.564
  561    HG2  ARG  71           2HG      ARG  71  10.217  12.224  -2.901
  562    HG3  ARG  71           3HG      ARG  71   8.504  12.109  -2.413
  563    HD2  ARG  71           2HD      ARG  71   8.884  13.904  -0.737
  564    HD3  ARG  71           3HD      ARG  71  10.561  14.061  -1.291
  565    HE   ARG  71           HE       ARG  71   8.878  14.418  -3.543
  566   HH11  ARG  71          1HH2      ARG  71   9.610  16.091  -0.528
  567   HH12  ARG  71          2HH2      ARG  71   9.185  17.649  -1.200
  568   HH21  ARG  71          1HH1      ARG  71   8.356  16.449  -4.318
  569   HH22  ARG  71          2HH1      ARG  71   8.500  17.840  -3.284
  570    HA   PRO  72           HA       PRO  72  12.320   7.805   1.695
  571    HB2  PRO  72           2HB      PRO  72  14.196  10.172   1.793
  572    HB3  PRO  72           3HB      PRO  72  14.572   8.427   1.950
  573    HG2  PRO  72           2HG      PRO  72  15.033   9.689  -0.392
  574    HG3  PRO  72           3HG      PRO  72  14.236   8.079  -0.405
  575    HD2  PRO  72           2HD      PRO  72  12.939  10.818  -0.617
  576    HD3  PRO  72           3HD      PRO  72  12.646   9.352  -1.599
  577    H    GLU  73           H        GLU  73  11.598  11.321   1.895
  578    HA   GLU  73           HA       GLU  73  11.552  11.396   4.764
  579    HB2  GLU  73           2HB      GLU  73  10.602  13.598   4.533
  580    HB3  GLU  73           3HB      GLU  73  11.918  13.387   3.379
  581    HG2  GLU  73           2HG      GLU  73  10.274  12.972   1.572
  582    HG3  GLU  73           3HG      GLU  73   8.948  13.194   2.711
  583    H    TYR  74           H        TYR  74   9.235  10.031   2.623
  584    HA   TYR  74           HA       TYR  74   7.540   9.409   4.894
  585    HB2  TYR  74           2HB      TYR  74   5.420  10.129   3.694
  586    HB3  TYR  74           3HB      TYR  74   6.388  11.321   4.506
  587    HD1  TYR  74           HD1      TYR  74   6.660   9.907   0.990
  588    HD2  TYR  74           HD2      TYR  74   6.060  13.364   3.499
  589    HE1  TYR  74           HE1      TYR  74   6.604  11.360  -1.018
  590    HE2  TYR  74           HE2      TYR  74   5.969  14.808   1.473
  591    HH   TYR  74           HH       TYR  74   6.221  13.457  -1.835
  592    H    SER  75           H        SER  75   9.086   7.644   3.838
  593    HA   SER  75           HA       SER  75   7.833   5.952   1.831
  594    HB2  SER  75           2HB      SER  75  10.089   5.548   3.788
  595    HB3  SER  75           3HB      SER  75   9.596   4.348   2.580
  596    HG   SER  75           HG       SER  75  10.036   6.988   1.733
  597    H    ALA  76           H        ALA  76   7.666   3.514   2.611
  598    HA   ALA  76           HA       ALA  76   5.116   3.200   3.286
  599    HB1  ALA  76           1HB      ALA  76   5.612   0.831   3.576
  600    HB2  ALA  76           2HB      ALA  76   6.645   1.503   2.306
  601    HB3  ALA  76           3HB      ALA  76   7.315   1.186   3.924
  602    H    SER  77           H        SER  77   7.430   3.702   5.906
  603    HA   SER  77           HA       SER  77   5.823   2.577   8.023
  604    HB2  SER  77           2HB      SER  77   8.297   3.252   8.088
  605    HB3  SER  77           3HB      SER  77   7.736   4.927   8.242
  606    HG   SER  77           HG       SER  77   7.371   2.724  10.000
  607    H    GLN  78           H        GLN  78   5.539   5.545   6.130
  608    HA   GLN  78           HA       GLN  78   3.685   6.775   8.011
  609    HB2  GLN  78           2HB      GLN  78   4.767   7.863   5.401
  610    HB3  GLN  78           3HB      GLN  78   3.956   8.764   6.678
  611    HG2  GLN  78           2HG      GLN  78   6.728   7.495   6.871
  612    HG3  GLN  78           3HG      GLN  78   6.350   9.194   6.662
  613   HE21  GLN  78          2HE2      GLN  78   6.159  10.474   8.492
  614   HE22  GLN  78          1HE2      GLN  78   5.981   9.806  10.104
  615    H    LEU  79           H        LEU  79   2.994   4.327   6.284
  616    HA   LEU  79           HA       LEU  79   0.584   5.270   4.819
  617    HB2  LEU  79           2HB      LEU  79   1.737   2.531   5.496
  618    HB3  LEU  79           3HB      LEU  79   0.189   2.748   4.708
  619    HG   LEU  79           HG       LEU  79   2.633   3.928   3.387
  620   HD11  LEU  79          1HD1      LEU  79   1.833   1.015   2.993
  621   HD12  LEU  79          2HD1      LEU  79   3.143   1.897   2.197
  622   HD13  LEU  79          3HD1      LEU  79   3.235   1.511   3.922
  623   HD21  LEU  79          3HD2      LEU  79   0.229   2.474   2.229
  624   HD22  LEU  79          1HD2      LEU  79   0.266   4.205   2.555
  625   HD23  LEU  79          2HD2      LEU  79   1.385   3.504   1.378
  626    H    LYS  80           H        LYS  80  -1.454   5.294   5.652
  627    HA   LYS  80           HA       LYS  80  -2.000   5.237   8.424
  628    HB2  LYS  80           2HB      LYS  80  -4.013   4.535   6.236
  629    HB3  LYS  80           3HB      LYS  80  -4.378   5.018   7.889
  630    HG2  LYS  80           2HG      LYS  80  -3.205   7.195   7.425
  631    HG3  LYS  80           3HG      LYS  80  -3.132   6.723   5.716
  632    HD2  LYS  80           2HD      LYS  80  -5.647   7.106   7.416
  633    HD3  LYS  80           3HD      LYS  80  -5.005   8.273   6.256
  634    HE2  LYS  80           2HE      LYS  80  -5.361   6.659   4.411
  635    HE3  LYS  80           3HE      LYS  80  -6.004   5.475   5.563
  636    HZ1  LYS  80           3HZ      LYS  80  -7.801   7.040   6.069
  637    HZ2  LYS  80           1HZ      LYS  80  -7.211   8.137   5.013
  638    HZ3  LYS  80           2HZ      LYS  80  -7.790   6.712   4.472
  639    H    GLY  81           H        GLY  81  -2.284   3.644   9.892
  640    HA2  GLY  81           2HA      GLY  81  -2.756   1.570  10.809
  641    HA3  GLY  81           3HA      GLY  81  -3.410   1.058   9.255
  642    H    PHE  82           H        PHE  82  -0.147   2.063   8.793
  643    HA   PHE  82           HA       PHE  82   0.905  -0.476   8.171
  644    HB2  PHE  82           2HB      PHE  82   2.039   1.433   7.381
  645    HB3  PHE  82           3HB      PHE  82   2.072   2.206   8.957
  646    HD1  PHE  82           HD1      PHE  82   3.712   1.663  10.644
  647    HD2  PHE  82           HD2      PHE  82   3.806  -0.203   6.761
  648    HE1  PHE  82           HE1      PHE  82   6.028   0.868  11.085
  649    HE2  PHE  82           HE2      PHE  82   6.139  -0.952   7.186
  650    HZ   PHE  82           HZ       PHE  82   7.243  -0.438   9.344
  651    H    SER  83           H        SER  83   1.132   1.378  11.226
  652    HA   SER  83           HA       SER  83   2.706  -0.368  12.717
  653    HB2  SER  83           2HB      SER  83   0.477   1.454  13.697
  654    HB3  SER  83           3HB      SER  83   1.827   0.831  14.672
  655    HG   SER  83           HG       SER  83   2.246   2.943  13.890
  656    H    LEU  84           H        LEU  84  -0.624  -0.831  11.842
  657    HA   LEU  84           HA       LEU  84  -1.231  -2.693  14.056
  658    HB2  LEU  84           2HB      LEU  84  -2.947  -1.760  11.726
  659    HB3  LEU  84           3HB      LEU  84  -3.495  -2.657  13.135
  660    HG   LEU  84           HG       LEU  84  -2.432   0.204  13.152
  661   HD11  LEU  84          1HD1      LEU  84  -4.746   0.806  13.680
  662   HD12  LEU  84          2HD1      LEU  84  -4.660  -0.045  12.128
  663   HD13  LEU  84          3HD1      LEU  84  -5.236  -0.901  13.577
  664   HD21  LEU  84          3HD2      LEU  84  -3.236   0.258  15.501
  665   HD22  LEU  84          1HD2      LEU  84  -3.578  -1.485  15.419
  666   HD23  LEU  84          2HD2      LEU  84  -1.907  -0.888  15.293
  667    H    LEU  85           H        LEU  85   0.225  -2.974  11.010
  668    HA   LEU  85           HA       LEU  85  -0.754  -5.644  10.305
  669    HB2  LEU  85           2HB      LEU  85   1.694  -4.057   9.484
  670    HB3  LEU  85           3HB      LEU  85   1.260  -5.607   8.788
  671    HG   LEU  85           HG       LEU  85  -0.546  -3.152   8.625
  672   HD11  LEU  85          1HD1      LEU  85   1.434  -4.269   6.588
  673   HD12  LEU  85          2HD1      LEU  85   0.311  -2.918   6.325
  674   HD13  LEU  85          3HD1      LEU  85   1.632  -2.753   7.493
  675   HD21  LEU  85          3HD2      LEU  85  -1.512  -4.389   6.694
  676   HD22  LEU  85          1HD2      LEU  85  -0.532  -5.794   7.136
  677   HD23  LEU  85          2HD2      LEU  85  -1.782  -5.189   8.249
  678    H    ALA  86           H        ALA  86   0.920  -7.483  10.167
  679    HA   ALA  86           HA       ALA  86   2.050  -8.086  12.764
  680    HB1  ALA  86           1HB      ALA  86   2.479  -9.446  10.071
  681    HB2  ALA  86           2HB      ALA  86   2.838 -10.127  11.670
  682    HB3  ALA  86           3HB      ALA  86   1.155  -9.812  11.202
  683    H    THR  87           H        THR  87   4.242  -8.234  13.358
  684    HA   THR  87           HA       THR  87   5.993  -6.203  12.640
  685    HB   THR  87           HB       THR  87   6.839  -8.937  13.636
  686    HG1  THR  87           1HG      THR  87   6.361  -8.121  15.688
  687   HG21  THR  87          1HG2      THR  87   8.514  -7.628  14.943
  688   HG22  THR  87          2HG2      THR  87   8.735  -7.407  13.203
  689   HG23  THR  87          3HG2      THR  87   7.945  -6.135  14.160
  690    H    GLU  88           H        GLU  88   5.900  -9.521  11.260
  691    HA   GLU  88           HA       GLU  88   8.266  -9.227   9.670
  692    HB2  GLU  88           2HB      GLU  88   7.548 -11.226   8.527
  693    HB3  GLU  88           3HB      GLU  88   7.332 -11.391  10.268
  694    HG2  GLU  88           2HG      GLU  88   4.878 -10.888   9.968
  695    HG3  GLU  88           3HG      GLU  88   5.133 -10.855   8.221
  696    H    ASP  89           H        ASP  89   4.915  -8.225   9.015
  697    HA   ASP  89           HA       ASP  89   5.535  -7.541   6.208
  698    HB2  ASP  89           2HB      ASP  89   3.085  -7.109   7.943
  699    HB3  ASP  89           3HB      ASP  89   3.238  -6.513   6.292
  700    H    LYS  90           H        LYS  90   5.211  -5.843   9.331
  701    HA   LYS  90           HA       LYS  90   5.624  -3.168   8.349
  702    HB2  LYS  90           2HB      LYS  90   6.194  -4.504  11.025
  703    HB3  LYS  90           3HB      LYS  90   6.453  -2.774  10.742
  704    HG2  LYS  90           2HG      LYS  90   4.165  -2.360  10.304
  705    HG3  LYS  90           3HG      LYS  90   3.796  -4.071  10.098
  706    HD2  LYS  90           2HD      LYS  90   2.866  -3.301  12.161
  707    HD3  LYS  90           3HD      LYS  90   4.120  -4.506  12.472
  708    HE2  LYS  90           2HE      LYS  90   5.704  -2.709  13.092
  709    HE3  LYS  90           3HE      LYS  90   4.485  -1.489  12.694
  710    HZ1  LYS  90           3HZ      LYS  90   3.063  -2.455  14.456
  711    HZ2  LYS  90           1HZ      LYS  90   4.226  -3.538  14.838
  712    HZ3  LYS  90           2HZ      LYS  90   4.493  -1.947  15.082
  713    H    GLU  91           H        GLU  91   7.966  -5.688   9.294
  714    HA   GLU  91           HA       GLU  91  10.306  -4.112   8.601
  715    HB2  GLU  91           2HB      GLU  91   9.825  -7.105   8.854
  716    HB3  GLU  91           3HB      GLU  91  11.392  -6.412   8.453
  717    HG2  GLU  91           2HG      GLU  91   9.830  -5.803  10.999
  718    HG3  GLU  91           3HG      GLU  91  11.147  -6.962  10.865
  719    H    ALA  92           H        ALA  92   8.462  -6.612   6.715
  720    HA   ALA  92           HA       ALA  92  10.128  -6.453   4.448
  721    HB1  ALA  92           1HB      ALA  92   7.196  -7.215   4.625
  722    HB2  ALA  92           2HB      ALA  92   8.306  -7.613   3.293
  723    HB3  ALA  92           3HB      ALA  92   8.590  -8.291   4.908
  724    H    LEU  93           H        LEU  93   7.279  -4.400   5.200
  725    HA   LEU  93           HA       LEU  93   7.160  -3.132   2.611
  726    HB2  LEU  93           2HB      LEU  93   6.204  -2.382   5.395
  727    HB3  LEU  93           3HB      LEU  93   5.920  -1.350   3.999
  728    HG   LEU  93           HG       LEU  93   4.939  -4.231   4.166
  729   HD11  LEU  93          1HD1      LEU  93   3.457  -1.609   4.649
  730   HD12  LEU  93          2HD1      LEU  93   2.733  -3.232   4.613
  731   HD13  LEU  93          3HD1      LEU  93   3.885  -2.813   5.889
  732   HD21  LEU  93          3HD2      LEU  93   4.228  -1.954   2.276
  733   HD22  LEU  93          1HD2      LEU  93   5.150  -3.416   1.852
  734   HD23  LEU  93          2HD2      LEU  93   3.454  -3.551   2.320
  735    H    LYS  94           H        LYS  94   8.897  -2.255   5.639
  736    HA   LYS  94           HA       LYS  94  10.175   0.113   4.530
  737    HB2  LYS  94           2HB      LYS  94  10.964  -1.751   6.800
  738    HB3  LYS  94           3HB      LYS  94  11.808  -0.252   6.406
  739    HG2  LYS  94           2HG      LYS  94   9.764   1.063   6.848
  740    HG3  LYS  94           3HG      LYS  94   8.892  -0.408   7.291
  741    HD2  LYS  94           2HD      LYS  94  11.398   0.654   8.678
  742    HD3  LYS  94           3HD      LYS  94   9.745   0.855   9.277
  743    HE2  LYS  94           2HE      LYS  94   9.478  -1.536   9.596
  744    HE3  LYS  94           3HE      LYS  94  10.991  -1.876   8.760
  745    HZ1  LYS  94           3HZ      LYS  94  12.200  -0.761  10.526
  746    HZ2  LYS  94           1HZ      LYS  94  10.807  -0.501  11.368
  747    HZ3  LYS  94           2HZ      LYS  94  11.338  -2.038  11.077
  748    H    LYS  95           H        LYS  95  11.137  -3.333   4.737
  749    HA   LYS  95           HA       LYS  95  13.763  -2.915   3.705
  750    HB2  LYS  95           2HB      LYS  95  12.005  -5.373   3.877
  751    HB3  LYS  95           3HB      LYS  95  13.627  -5.442   3.179
  752    HG2  LYS  95           2HG      LYS  95  14.659  -4.644   5.206
  753    HG3  LYS  95           3HG      LYS  95  13.097  -4.329   5.968
  754    HD2  LYS  95           2HD      LYS  95  12.545  -6.748   5.858
  755    HD3  LYS  95           3HD      LYS  95  14.126  -7.082   5.140
  756    HE2  LYS  95           2HE      LYS  95  13.651  -5.847   7.900
  757    HE3  LYS  95           3HE      LYS  95  13.995  -7.550   7.590
  758    HZ1  LYS  95           3HZ      LYS  95  15.849  -5.276   7.159
  759    HZ2  LYS  95           1HZ      LYS  95  16.028  -6.541   8.163
  760    HZ3  LYS  95           2HZ      LYS  95  16.132  -6.782   6.558
  761    H    GLN  96           H        GLN  96  10.777  -3.115   1.969
  762    HA   GLN  96           HA       GLN  96  12.142  -3.257  -0.675
  763    HB2  GLN  96           2HB      GLN  96   9.219  -3.243   0.155
  764    HB3  GLN  96           3HB      GLN  96   9.784  -3.253  -1.521
  765    HG2  GLN  96           2HG      GLN  96  10.836  -5.403  -1.281
  766    HG3  GLN  96           3HG      GLN  96  10.581  -5.418   0.465
  767   HE21  GLN  96          2HE2      GLN  96   8.324  -5.455   1.259
  768   HE22  GLN  96          1HE2      GLN  96   7.107  -6.271   0.265
  769    H    LEU  97           H        LEU  97  10.415  -0.947   1.424
  770    HA   LEU  97           HA       LEU  97  11.402   1.287  -0.253
  771    HB2  LEU  97           2HB      LEU  97   9.181   0.715  -1.053
  772    HB3  LEU  97           3HB      LEU  97   8.509   0.821   0.569
  773    HG   LEU  97           HG       LEU  97   8.733   3.211   0.618
  774   HD11  LEU  97          1HD1      LEU  97  10.429   2.902  -1.885
  775   HD12  LEU  97          2HD1      LEU  97   9.741   4.459  -1.341
  776   HD13  LEU  97          3HD1      LEU  97  10.908   3.610  -0.328
  777   HD21  LEU  97          3HD2      LEU  97   6.867   2.305  -0.700
  778   HD22  LEU  97          1HD2      LEU  97   7.420   3.853  -1.357
  779   HD23  LEU  97          2HD2      LEU  97   7.865   2.338  -2.169
  780    HA   PRO  98           HA       PRO  98  11.925   2.148   4.216
  781    HB2  PRO  98           2HB      PRO  98  14.661   2.394   4.323
  782    HB3  PRO  98           3HB      PRO  98  13.782   0.852   4.439
  783    HG2  PRO  98           2HG      PRO  98  15.395   1.894   2.174
  784    HG3  PRO  98           3HG      PRO  98  14.875   0.217   2.531
  785    HD2  PRO  98           2HD      PRO  98  13.705   2.112   0.668
  786    HD3  PRO  98           3HD      PRO  98  13.248   0.418   0.985
  787    H    GLY  99           H        GLY  99  12.130   4.154   5.298
  788    HA2  GLY  99           2HA      GLY  99  12.359   6.535   3.667
  789    HA3  GLY  99           3HA      GLY  99  11.924   6.434   5.367
  790    H    VAL 100           H        VAL 100  13.223   8.382   5.113
  791    HA   VAL 100           HA       VAL 100  16.095   8.277   4.877
  792    HB   VAL 100           HB       VAL 100  14.764  10.195   4.183
  793   HG11  VAL 100          1HG1      VAL 100  13.121  10.280   6.075
  794   HG12  VAL 100          2HG1      VAL 100  14.407  10.916   7.118
  795   HG13  VAL 100          3HG1      VAL 100  13.876  11.840   5.703
  796   HG21  VAL 100          3HG2      VAL 100  16.720  11.047   6.336
  797   HG22  VAL 100          1HG2      VAL 100  17.196  10.430   4.728
  798   HG23  VAL 100          2HG2      VAL 100  16.257  11.923   4.875
  799    H    LYS 101           H        LYS 101  17.627   8.067   6.307
  800    HA   LYS 101           HA       LYS 101  16.983   7.727   9.200
  801    HB2  LYS 101           2HB      LYS 101  19.045   6.505   9.389
  802    HB3  LYS 101           3HB      LYS 101  18.024   5.827   8.126
  803    HG2  LYS 101           2HG      LYS 101  19.431   6.812   6.376
  804    HG3  LYS 101           3HG      LYS 101  20.395   7.682   7.589
  805    HD2  LYS 101           2HD      LYS 101  21.109   5.545   8.579
  806    HD3  LYS 101           3HD      LYS 101  20.128   4.651   7.413
  807    HE2  LYS 101           2HE      LYS 101  21.523   5.656   5.563
  808    HE3  LYS 101           3HE      LYS 101  22.513   6.440   6.806
  809    HZ1  LYS 101           3HZ      LYS 101  22.219   3.509   6.359
  810    HZ2  LYS 101           1HZ      LYS 101  23.584   4.397   6.221
  811    HZ3  LYS 101           2HZ      LYS 101  22.912   4.138   7.703
  812    H    SER 102           H        SER 102  18.047  10.176   7.348
  813    HA   SER 102           HA       SER 102  18.930  12.194   7.636
  814    HB2  SER 102           2HB      SER 102  18.310  11.751  10.561
  815    HB3  SER 102           3HB      SER 102  18.562  13.311   9.756
  816    HG   SER 102           HG       SER 102  16.334  12.779   9.923
  817    H    GLU 103           H        GLU 103  20.761   9.744   9.251
  818    HA   GLU 103           HA       GLU 103  23.168  11.353   8.703
  819    HB2  GLU 103           2HB      GLU 103  22.618  11.767  11.100
  820    HB3  GLU 103           3HB      GLU 103  22.651  10.032  11.402
  821    HG2  GLU 103           2HG      GLU 103  24.706  11.106  12.165
  822    HG3  GLU 103           3HG      GLU 103  25.049   9.951  10.891
  823    H    GLY 104           H        GLY 104  24.965  10.152   8.147
  824    HA2  GLY 104           2HA      GLY 104  24.454   7.562   6.964
  825    HA3  GLY 104           3HA      GLY 104  25.983   8.439   6.996
  826    H    LYS 105           H        LYS 105  25.287   8.299  10.160
  827    HA   LYS 105           HA       LYS 105  27.180   6.127  10.687
  828    HB2  LYS 105           2HB      LYS 105  27.238   8.380  11.775
  829    HB3  LYS 105           3HB      LYS 105  25.700   8.016  12.571
  830    HG2  LYS 105           2HG      LYS 105  26.753   6.171  13.820
  831    HG3  LYS 105           3HG      LYS 105  28.250   6.369  12.898
  832    HD2  LYS 105           2HD      LYS 105  28.520   7.348  15.088
  833    HD3  LYS 105           3HD      LYS 105  28.555   8.632  13.872
  834    HE2  LYS 105           2HE      LYS 105  26.185   9.185  14.384
  835    HE3  LYS 105           3HE      LYS 105  26.127   7.866  15.563
  836    HZ1  LYS 105           3HZ      LYS 105  27.903  10.245  15.755
  837    HZ2  LYS 105           1HZ      LYS 105  26.553  10.003  16.638
  838    HZ3  LYS 105           2HZ      LYS 105  27.845   9.029  16.846
  839    H    ARG 106           H        ARG 106  23.692   6.533  10.815
  840    HA   ARG 106           HA       ARG 106  23.259   4.321  12.643
  841    HB2  ARG 106           2HB      ARG 106  21.667   6.191  12.517
  842    HB3  ARG 106           3HB      ARG 106  21.275   5.772  10.847
  843    HG2  ARG 106           2HG      ARG 106  20.452   3.523  11.643
  844    HG3  ARG 106           3HG      ARG 106  20.812   4.017  13.304
  845    HD2  ARG 106           2HD      ARG 106  19.194   5.900  13.054
  846    HD3  ARG 106           3HD      ARG 106  18.809   5.351  11.424
  847    HE   ARG 106           HE       ARG 106  17.957   4.170  13.973
  848   HH11  ARG 106          1HH2      ARG 106  18.160   3.431  10.502
  849   HH12  ARG 106          2HH2      ARG 106  16.948   2.157  10.715
  850   HH21  ARG 106          1HH1      ARG 106  16.430   2.496  13.973
  851   HH22  ARG 106          2HH1      ARG 106  16.093   1.698  12.433
  852    H    LYS 107           H        LYS 107  23.341   2.261  12.200
  853    HA   LYS 107           HA       LYS 107  21.903   1.175   9.896
  854    HB2  LYS 107           2HB      LYS 107  24.766   0.274  10.478
  855    HB3  LYS 107           3HB      LYS 107  23.605  -0.602   9.473
  856    HG2  LYS 107           2HG      LYS 107  23.409   1.568   8.085
  857    HG3  LYS 107           3HG      LYS 107  24.890   2.086   8.906
  858    HD2  LYS 107           2HD      LYS 107  24.496  -0.388   7.185
  859    HD3  LYS 107           3HD      LYS 107  25.348   1.089   6.714
  860    HE2  LYS 107           2HE      LYS 107  27.032   0.643   8.532
  861    HE3  LYS 107           3HE      LYS 107  26.182  -0.867   8.900
  862    HZ1  LYS 107           3HZ      LYS 107  27.536  -0.197   6.348
  863    HZ2  LYS 107           1HZ      LYS 107  27.956  -1.380   7.395
  864    HZ3  LYS 107           2HZ      LYS 107  26.566  -1.495   6.518
  865    H    GLY 108           H        GLY 108  21.153  -0.950  10.283
  866    HA2  GLY 108           2HA      GLY 108  21.532  -2.541  12.600
  867    HA3  GLY 108           3HA      GLY 108  20.255  -1.379  12.976
  868    H    ASP 109           H        ASP 109  21.224  -3.606  10.348
  869    HA   ASP 109           HA       ASP 109  20.110  -4.783   8.808
  870    HB2  ASP 109           2HB      ASP 109  19.548  -6.031  10.907
  871    HB3  ASP 109           3HB      ASP 109  17.974  -5.235  10.905
  872    H    GLU 110           H        GLU 110  19.574  -1.933   8.979
  873    HA   GLU 110           HA       GLU 110  17.382  -1.690   7.001
  874    HB2  GLU 110           2HB      GLU 110  17.763   0.105   9.438
  875    HB3  GLU 110           3HB      GLU 110  16.681   0.441   8.086
  876    HG2  GLU 110           2HG      GLU 110  15.357  -1.578   8.634
  877    HG3  GLU 110           3HG      GLU 110  16.390  -1.872  10.040
  878    H    VAL 111           H        VAL 111  17.911  -0.270   5.390
  879    HA   VAL 111           HA       VAL 111  19.173   1.028   4.013
  880    HB   VAL 111           HB       VAL 111  19.355   2.843   6.423
  881   HG11  VAL 111          1HG1      VAL 111  19.038   4.632   4.736
  882   HG12  VAL 111          2HG1      VAL 111  20.468   3.689   4.321
  883   HG13  VAL 111          3HG1      VAL 111  18.955   3.421   3.442
  884   HG21  VAL 111          3HG2      VAL 111  17.118   3.701   5.718
  885   HG22  VAL 111          1HG2      VAL 111  16.994   2.352   4.569
  886   HG23  VAL 111          2HG2      VAL 111  17.044   2.050   6.322
  887    H    ASP 112           H        ASP 112  20.784  -0.824   4.308
  888    HA   ASP 112           HA       ASP 112  23.470   0.038   5.204
  889    HB2  ASP 112           2HB      ASP 112  22.779  -2.218   5.762
  890    HB3  ASP 112           3HB      ASP 112  22.413  -2.575   4.078
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -8.464   5.533  18.994
    2    H2   GLY   1           H2       GLY   1  -9.160   7.015  19.022
    3    H3   GLY   1           H3       GLY   1  -7.985   6.642  20.102
    4    HA2  GLY   1           2HA      GLY   1  -7.085   8.073  18.399
    5    HA3  GLY   1           3HA      GLY   1  -6.342   6.465  18.355
    6    H    SER   2           H        SER   2  -5.786   6.933  16.130
    7    HA   SER   2           HA       SER   2  -7.880   6.102  14.219
    8    HB2  SER   2           2HB      SER   2  -7.503   7.923  12.697
    9    HB3  SER   2           3HB      SER   2  -7.927   8.609  14.269
   10    HG   SER   2           HG       SER   2  -6.143   9.703  13.420
   11    H    LYS   3           H        LYS   3  -6.893   5.751  11.996
   12    HA   LYS   3           HA       LYS   3  -4.531   4.051  12.207
   13    HB2  LYS   3           2HB      LYS   3  -6.272   4.921   9.858
   14    HB3  LYS   3           3HB      LYS   3  -4.931   3.787   9.714
   15    HG2  LYS   3           2HG      LYS   3  -5.997   2.256  11.333
   16    HG3  LYS   3           3HG      LYS   3  -7.366   3.371  11.491
   17    HD2  LYS   3           2HD      LYS   3  -7.837   3.113   9.054
   18    HD3  LYS   3           3HD      LYS   3  -6.516   1.928   8.933
   19    HE2  LYS   3           2HE      LYS   3  -7.647   0.445  10.532
   20    HE3  LYS   3           3HE      LYS   3  -8.885   1.668  10.834
   21    HZ1  LYS   3           3HZ      LYS   3  -9.766   0.081   9.313
   22    HZ2  LYS   3           1HZ      LYS   3  -9.525   1.440   8.448
   23    HZ3  LYS   3           2HZ      LYS   3  -8.516   0.155   8.286
   24    H    ALA   4           H        ALA   4  -4.863   7.420  11.519
   25    HA   ALA   4           HA       ALA   4  -2.388   7.493   9.908
   26    HB1  ALA   4           1HB      ALA   4  -4.429   8.587   9.038
   27    HB2  ALA   4           2HB      ALA   4  -4.459   9.656  10.456
   28    HB3  ALA   4           3HB      ALA   4  -3.115   9.749   9.295
   29    H    GLU   5           H        GLU   5  -1.457   6.750  12.117
   30    HA   GLU   5           HA       GLU   5  -1.045   8.725  14.167
   31    HB2  GLU   5           2HB      GLU   5   0.351   6.108  13.517
   32    HB3  GLU   5           3HB      GLU   5   0.655   7.060  14.984
   33    HG2  GLU   5           2HG      GLU   5  -1.823   6.900  15.504
   34    HG3  GLU   5           3HG      GLU   5  -1.971   5.760  14.161
   35    H    LYS   6           H        LYS   6   1.089   7.645  11.513
   36    HA   LYS   6           HA       LYS   6   2.784  10.090  11.873
   37    HB2  LYS   6           2HB      LYS   6   3.832   7.257  11.466
   38    HB3  LYS   6           3HB      LYS   6   4.811   8.730  11.450
   39    HG2  LYS   6           2HG      LYS   6   4.016   9.215  13.800
   40    HG3  LYS   6           3HG      LYS   6   3.286   7.605  13.831
   41    HD2  LYS   6           2HD      LYS   6   6.248   8.230  13.457
   42    HD3  LYS   6           3HD      LYS   6   5.471   7.660  14.940
   43    HE2  LYS   6           2HE      LYS   6   4.741   5.586  13.670
   44    HE3  LYS   6           3HE      LYS   6   5.727   6.141  12.309
   45    HZ1  LYS   6           3HZ      LYS   6   7.678   6.101  13.832
   46    HZ2  LYS   6           1HZ      LYS   6   6.742   5.519  15.033
   47    HZ3  LYS   6           2HZ      LYS   6   6.993   4.620  13.693
   48    H    THR   7           H        THR   7   0.672   8.957   9.869
   49    HA   THR   7           HA       THR   7   1.941   8.486   7.396
   50    HB   THR   7           HB       THR   7  -0.860   9.538   7.823
   51    HG1  THR   7           1HG      THR   7  -1.307   7.251   7.970
   52   HG21  THR   7          1HG2      THR   7  -1.482   8.654   5.817
   53   HG22  THR   7          2HG2      THR   7   0.185   8.920   5.378
   54   HG23  THR   7          3HG2      THR   7  -0.292   7.330   5.886
   55    H    LEU   8           H        LEU   8   2.224   9.717   5.519
   56    HA   LEU   8           HA       LEU   8   2.418  12.611   5.776
   57    HB2  LEU   8           2HB      LEU   8   3.381  12.667   3.744
   58    HB3  LEU   8           3HB      LEU   8   3.763  11.026   4.225
   59    HG   LEU   8           HG       LEU   8   1.564  11.898   2.275
   60   HD11  LEU   8          1HD1      LEU   8   4.151  10.391   1.784
   61   HD12  LEU   8          2HD1      LEU   8   2.938  10.847   0.574
   62   HD13  LEU   8          3HD1      LEU   8   3.867  12.104   1.405
   63   HD21  LEU   8          3HD2      LEU   8   1.370   9.467   1.761
   64   HD22  LEU   8          1HD2      LEU   8   2.421   9.121   3.159
   65   HD23  LEU   8          2HD2      LEU   8   0.831   9.842   3.393
   66    H    GLY   9           H        GLY   9  -0.330  10.690   5.244
   67    HA2  GLY   9           2HA      GLY   9  -2.531  11.425   5.171
   68    HA3  GLY   9           3HA      GLY   9  -2.006  13.036   4.703
   69    H    ASP  10           H        ASP  10  -0.993  10.166   2.783
   70    HA   ASP  10           HA       ASP  10  -3.084  10.753   0.797
   71    HB2  ASP  10           2HB      ASP  10  -0.672  12.014   0.523
   72    HB3  ASP  10           3HB      ASP  10  -0.367  10.523  -0.378
   73    H    PHE  11           H        PHE  11  -1.150   8.303   2.273
   74    HA   PHE  11           HA       PHE  11  -2.528   6.350   0.595
   75    HB2  PHE  11           2HB      PHE  11  -0.306   5.057   0.292
   76    HB3  PHE  11           3HB      PHE  11  -0.790   6.310  -0.798
   77    HD1  PHE  11           HD1      PHE  11   1.301   6.169   2.389
   78    HD2  PHE  11           HD2      PHE  11   0.862   7.611  -1.657
   79    HE1  PHE  11           HE1      PHE  11   3.621   7.017   2.433
   80    HE2  PHE  11           HE2      PHE  11   3.156   8.543  -1.565
   81    HZ   PHE  11           HZ       PHE  11   4.548   8.220   0.471
   82    H    ALA  12           H        ALA  12  -2.493   4.180   1.336
   83    HA   ALA  12           HA       ALA  12  -2.345   3.941   4.302
   84    HB1  ALA  12           1HB      ALA  12  -4.735   3.293   2.540
   85    HB2  ALA  12           2HB      ALA  12  -4.649   3.142   4.304
   86    HB3  ALA  12           3HB      ALA  12  -4.585   4.747   3.539
   87    H    ALA  13           H        ALA  13  -2.553   1.809   5.132
   88    HA   ALA  13           HA       ALA  13  -1.991  -0.497   3.347
   89    HB1  ALA  13           1HB      ALA  13  -0.434   0.295   5.856
   90    HB2  ALA  13           2HB      ALA  13  -0.122  -1.110   4.799
   91    HB3  ALA  13           3HB      ALA  13   0.125   0.537   4.193
   92    H    GLU  14           H        GLU  14  -2.968  -2.445   4.046
   93    HA   GLU  14           HA       GLU  14  -4.062  -2.791   6.711
   94    HB2  GLU  14           2HB      GLU  14  -5.677  -1.202   5.412
   95    HB3  GLU  14           3HB      GLU  14  -6.019  -2.584   4.372
   96    HG2  GLU  14           2HG      GLU  14  -6.864  -3.844   6.327
   97    HG3  GLU  14           3HG      GLU  14  -6.343  -2.552   7.409
   98    H    TYR  15           H        TYR  15  -5.142  -5.064   6.754
   99    HA   TYR  15           HA       TYR  15  -4.014  -6.843   4.689
  100    HB2  TYR  15           2HB      TYR  15  -5.734  -7.367   7.119
  101    HB3  TYR  15           3HB      TYR  15  -5.184  -8.606   5.993
  102    HD1  TYR  15           HD1      TYR  15  -2.545  -8.402   5.393
  103    HD2  TYR  15           HD2      TYR  15  -4.336  -6.913   9.007
  104    HE1  TYR  15           HE1      TYR  15  -0.417  -8.848   6.630
  105    HE2  TYR  15           HE2      TYR  15  -2.223  -7.353  10.239
  106    HH   TYR  15           HH       TYR  15   0.647  -8.784   8.614
  107    H    ALA  16           H        ALA  16  -5.082  -7.956   3.155
  108    HA   ALA  16           HA       ALA  16  -7.406  -6.772   1.990
  109    HB1  ALA  16           1HB      ALA  16  -5.636  -7.786   0.689
  110    HB2  ALA  16           2HB      ALA  16  -5.946  -9.353   1.459
  111    HB3  ALA  16           3HB      ALA  16  -7.169  -8.635   0.379
  112    H    LYS  17           H        LYS  17  -9.395  -6.940   2.802
  113    HA   LYS  17           HA       LYS  17 -10.247  -9.051   4.611
  114    HB2  LYS  17           2HB      LYS  17 -11.603  -6.629   3.366
  115    HB3  LYS  17           3HB      LYS  17 -12.431  -7.708   4.495
  116    HG2  LYS  17           2HG      LYS  17 -10.998  -7.182   6.299
  117    HG3  LYS  17           3HG      LYS  17  -9.767  -6.459   5.255
  118    HD2  LYS  17           2HD      LYS  17 -11.210  -4.586   4.714
  119    HD3  LYS  17           3HD      LYS  17 -12.543  -5.274   5.670
  120    HE2  LYS  17           2HE      LYS  17 -11.375  -4.988   7.724
  121    HE3  LYS  17           3HE      LYS  17  -9.820  -4.759   6.911
  122    HZ1  LYS  17           3HZ      LYS  17 -12.047  -2.819   6.644
  123    HZ2  LYS  17           1HZ      LYS  17 -10.827  -2.662   7.727
  124    HZ3  LYS  17           2HZ      LYS  17 -10.480  -2.645   6.138
  125    H    SER  18           H        SER  18 -10.519  -8.687   1.185
  126    HA   SER  18           HA       SER  18 -11.768 -11.317   0.953
  127    HB2  SER  18           2HB      SER  18 -13.613 -10.669  -0.430
  128    HB3  SER  18           3HB      SER  18 -13.739  -9.748   1.073
  129    HG   SER  18           HG       SER  18 -13.014  -7.934   0.020
  130    H    ASN  19           H        ASN  19 -11.717 -12.124  -1.289
  131    HA   ASN  19           HA       ASN  19  -9.374 -11.279  -2.780
  132    HB2  ASN  19           2HB      ASN  19 -11.545 -13.275  -3.536
  133    HB3  ASN  19           3HB      ASN  19  -9.962 -13.118  -4.288
  134   HD21  ASN  19          2HD2      ASN  19  -8.146 -14.190  -3.310
  135   HD22  ASN  19          1HD2      ASN  19  -8.386 -15.141  -1.856
  136    H    ARG  20           H        ARG  20 -12.174  -9.625  -2.576
  137    HA   ARG  20           HA       ARG  20 -12.808  -9.251  -5.424
  138    HB2  ARG  20           2HB      ARG  20 -13.923  -7.812  -2.988
  139    HB3  ARG  20           3HB      ARG  20 -14.590  -7.798  -4.612
  140    HG2  ARG  20           2HG      ARG  20 -14.459 -10.212  -2.753
  141    HG3  ARG  20           3HG      ARG  20 -15.883  -9.252  -3.149
  142    HD2  ARG  20           2HD      ARG  20 -15.670  -9.936  -5.535
  143    HD3  ARG  20           3HD      ARG  20 -14.283 -10.960  -5.099
  144    HE   ARG  20           HE       ARG  20 -16.455 -11.665  -3.416
  145   HH11  ARG  20          1HH2      ARG  20 -15.662 -11.952  -6.818
  146   HH12  ARG  20          2HH2      ARG  20 -16.646 -13.376  -7.017
  147   HH21  ARG  20          1HH1      ARG  20 -17.691 -13.481  -3.744
  148   HH22  ARG  20          2HH1      ARG  20 -17.761 -14.211  -5.320
  149    H    SER  21           H        SER  21 -10.811  -7.607  -3.107
  150    HA   SER  21           HA       SER  21 -10.600  -5.015  -4.364
  151    HB2  SER  21           2HB      SER  21  -8.615  -6.637  -2.718
  152    HB3  SER  21           3HB      SER  21  -8.333  -4.970  -3.254
  153    HG   SER  21           HG       SER  21 -10.556  -5.805  -1.675
  154    H    THR  22           H        THR  22  -8.891  -4.217  -5.835
  155    HA   THR  22           HA       THR  22  -7.461  -6.297  -7.395
  156    HB   THR  22           HB       THR  22  -9.110  -4.174  -8.757
  157    HG1  THR  22           1HG      THR  22 -10.541  -5.547  -7.931
  158   HG21  THR  22          1HG2      THR  22  -7.783  -6.671  -9.878
  159   HG22  THR  22          2HG2      THR  22  -8.757  -5.506 -10.788
  160   HG23  THR  22          3HG2      THR  22  -7.199  -5.008 -10.126
  161    H    CYS  23           HN       CYS  23  -5.559  -5.738  -8.117
  162    HA   CYS  23           HA       CYS  23  -4.306  -3.352  -7.089
  163    HB2  CYS  23           2HB      CYS  23  -3.265  -5.518  -6.988
  164    HB3  CYS  23           3HB      CYS  23  -3.469  -5.739  -8.727
  165    H    LYS  24           H        LYS  24  -4.561  -1.495  -8.092
  166    HA   LYS  24           HA       LYS  24  -4.929  -1.190 -10.982
  167    HB2  LYS  24           2HB      LYS  24  -4.577   0.693  -8.646
  168    HB3  LYS  24           3HB      LYS  24  -4.418   1.290 -10.298
  169    HG2  LYS  24           2HG      LYS  24  -6.678   1.640  -9.608
  170    HG3  LYS  24           3HG      LYS  24  -6.645   0.436 -10.883
  171    HD2  LYS  24           2HD      LYS  24  -7.104  -1.355  -9.299
  172    HD3  LYS  24           3HD      LYS  24  -6.824  -0.275  -7.928
  173    HE2  LYS  24           2HE      LYS  24  -9.187  -0.615  -8.153
  174    HE3  LYS  24           3HE      LYS  24  -8.818   1.060  -8.564
  175    HZ1  LYS  24           3HZ      LYS  24 -10.373   0.056 -10.144
  176    HZ2  LYS  24           1HZ      LYS  24  -9.001   0.451 -10.925
  177    HZ3  LYS  24           2HZ      LYS  24  -9.312  -1.113 -10.541
  178    H    GLY  25           H        GLY  25  -2.224  -1.787  -9.056
  179    HA2  GLY  25           2HA      GLY  25  -0.181  -0.501 -10.661
  180    HA3  GLY  25           3HA      GLY  25   0.050  -1.792  -9.478
  181    H    CYS  26           HN       CYS  26  -1.581  -3.799 -10.681
  182    HA   CYS  26           HA       CYS  26  -0.315  -4.208 -13.333
  183    HB2  CYS  26           2HB      CYS  26   0.447  -6.380 -12.852
  184    HB3  CYS  26           3HB      CYS  26   1.064  -5.301 -11.604
  185    H    MET  27           H        MET  27  -3.289  -4.048 -12.010
  186    HA   MET  27           HA       MET  27  -5.357  -4.686 -12.604
  187    HB2  MET  27           2HB      MET  27  -4.125  -5.336 -15.294
  188    HB3  MET  27           3HB      MET  27  -5.852  -5.291 -14.962
  189    HG2  MET  27           2HG      MET  27  -4.169  -2.854 -14.402
  190    HG3  MET  27           3HG      MET  27  -4.681  -3.262 -16.038
  191    HE1  MET  27           3HE      MET  27  -6.103  -2.746 -12.370
  192    HE2  MET  27           1HE      MET  27  -5.462  -1.242 -13.069
  193    HE3  MET  27           2HE      MET  27  -7.205  -1.401 -12.747
  194    H    GLU  28           H        GLU  28  -4.256  -6.407 -10.940
  195    HA   GLU  28           HA       GLU  28  -5.639  -8.913 -11.719
  196    HB2  GLU  28           2HB      GLU  28  -2.850  -8.779 -10.519
  197    HB3  GLU  28           3HB      GLU  28  -3.873 -10.192 -10.354
  198    HG2  GLU  28           2HG      GLU  28  -2.967  -8.988 -12.984
  199    HG3  GLU  28           3HG      GLU  28  -2.263 -10.398 -12.186
  200    H    LYS  29           H        LYS  29  -6.411 -10.137  -9.944
  201    HA   LYS  29           HA       LYS  29  -7.488  -8.220  -8.011
  202    HB2  LYS  29           2HB      LYS  29  -8.209 -11.137  -8.158
  203    HB3  LYS  29           3HB      LYS  29  -8.999  -9.824  -7.258
  204    HG2  LYS  29           2HG      LYS  29  -9.334  -8.649  -9.526
  205    HG3  LYS  29           3HG      LYS  29  -8.841 -10.166 -10.276
  206    HD2  LYS  29           2HD      LYS  29 -11.246 -10.118 -10.240
  207    HD3  LYS  29           3HD      LYS  29 -10.704 -11.336  -9.088
  208    HE2  LYS  29           2HE      LYS  29 -12.520 -10.119  -8.080
  209    HE3  LYS  29           3HE      LYS  29 -11.037  -9.698  -7.225
  210    HZ1  LYS  29           3HZ      LYS  29 -12.408  -8.023  -9.264
  211    HZ2  LYS  29           1HZ      LYS  29 -12.267  -7.695  -7.660
  212    HZ3  LYS  29           2HZ      LYS  29 -10.956  -7.641  -8.609
  213    H    ILE  30           H        ILE  30  -7.159  -8.000  -5.948
  214    HA   ILE  30           HA       ILE  30  -4.654  -9.016  -4.818
  215    HB   ILE  30           HB       ILE  30  -6.737  -7.001  -3.958
  216   HG12  ILE  30          2HG1      ILE  30  -3.776  -6.646  -4.604
  217   HG13  ILE  30          3HG1      ILE  30  -5.034  -6.536  -5.824
  218   HG21  ILE  30          1HG2      ILE  30  -5.374  -6.400  -2.049
  219   HG22  ILE  30          2HG2      ILE  30  -5.834  -8.086  -1.885
  220   HG23  ILE  30          3HG2      ILE  30  -4.191  -7.668  -2.433
  221   HD11  ILE  30          3HD1      ILE  30  -6.087  -4.659  -4.601
  222   HD12  ILE  30          1HD1      ILE  30  -4.746  -4.697  -3.423
  223   HD13  ILE  30          2HD1      ILE  30  -4.428  -4.332  -5.126
  224    H    GLU  31           H        GLU  31  -4.454 -10.708  -3.505
  225    HA   GLU  31           HA       GLU  31  -6.755 -12.366  -2.966
  226    HB2  GLU  31           2HB      GLU  31  -3.839 -12.633  -2.144
  227    HB3  GLU  31           3HB      GLU  31  -5.053 -13.886  -1.908
  228    HG2  GLU  31           2HG      GLU  31  -4.289 -12.793  -4.648
  229    HG3  GLU  31           3HG      GLU  31  -3.484 -14.139  -3.859
  230    H    LYS  32           H        LYS  32  -7.703 -12.922  -1.120
  231    HA   LYS  32           HA       LYS  32  -7.780 -11.159   1.135
  232    HB2  LYS  32           2HB      LYS  32  -9.611 -12.710   0.456
  233    HB3  LYS  32           3HB      LYS  32  -8.630 -14.085   0.978
  234    HG2  LYS  32           2HG      LYS  32  -8.645 -13.191   3.309
  235    HG3  LYS  32           3HG      LYS  32  -9.601 -11.800   2.757
  236    HD2  LYS  32           2HD      LYS  32 -11.409 -13.360   2.064
  237    HD3  LYS  32           3HD      LYS  32 -10.429 -14.725   2.648
  238    HE2  LYS  32           2HE      LYS  32 -10.435 -13.752   4.932
  239    HE3  LYS  32           3HE      LYS  32 -11.393 -12.383   4.355
  240    HZ1  LYS  32           3HZ      LYS  32 -12.794 -14.075   5.390
  241    HZ2  LYS  32           1HZ      LYS  32 -13.183 -13.940   3.814
  242    HZ3  LYS  32           2HZ      LYS  32 -12.299 -15.214   4.333
  243    H    GLY  33           H        GLY  33  -6.920 -11.256   3.132
  244    HA2  GLY  33           2HA      GLY  33  -5.629 -11.893   4.927
  245    HA3  GLY  33           3HA      GLY  33  -5.443 -13.482   4.187
  246    H    GLN  34           H        GLN  34  -4.231 -11.002   2.097
  247    HA   GLN  34           HA       GLN  34  -1.585 -10.953   3.427
  248    HB2  GLN  34           2HB      GLN  34  -0.434 -10.936   1.302
  249    HB3  GLN  34           3HB      GLN  34  -1.291 -12.431   1.599
  250    HG2  GLN  34           2HG      GLN  34  -1.530 -11.969  -0.726
  251    HG3  GLN  34           3HG      GLN  34  -3.097 -11.685  -0.001
  252   HE21  GLN  34          2HE2      GLN  34  -4.009  -9.610  -0.326
  253   HE22  GLN  34          1HE2      GLN  34  -3.004  -8.184  -0.399
  254    H    VAL  35           H        VAL  35  -0.343  -8.892   2.688
  255    HA   VAL  35           HA       VAL  35  -2.008  -6.714   3.584
  256    HB   VAL  35           HB       VAL  35   0.818  -6.722   2.486
  257   HG11  VAL  35          1HG1      VAL  35  -0.055  -4.445   2.247
  258   HG12  VAL  35          2HG1      VAL  35  -0.691  -4.484   3.911
  259   HG13  VAL  35          3HG1      VAL  35   1.057  -4.513   3.606
  260   HG21  VAL  35          3HG2      VAL  35  -0.235  -6.540   5.337
  261   HG22  VAL  35          1HG2      VAL  35   0.547  -7.963   4.611
  262   HG23  VAL  35          2HG2      VAL  35   1.465  -6.477   4.835
  263    H    ARG  36           H        ARG  36  -2.821  -4.927   2.551
  264    HA   ARG  36           HA       ARG  36  -2.441  -4.622  -0.378
  265    HB2  ARG  36           2HB      ARG  36  -4.749  -3.959  -0.700
  266    HB3  ARG  36           3HB      ARG  36  -4.626  -5.627  -0.137
  267    HG2  ARG  36           2HG      ARG  36  -5.376  -5.042   2.080
  268    HG3  ARG  36           3HG      ARG  36  -5.307  -3.319   1.719
  269    HD2  ARG  36           2HD      ARG  36  -7.051  -3.627  -0.035
  270    HD3  ARG  36           3HD      ARG  36  -7.194  -5.324   0.422
  271    HE   ARG  36           HE       ARG  36  -7.525  -3.896   2.810
  272   HH11  ARG  36          1HH2      ARG  36  -9.344  -4.033  -0.220
  273   HH12  ARG  36          2HH2      ARG  36 -10.698  -3.222   0.497
  274   HH21  ARG  36          1HH1      ARG  36  -9.305  -2.849   3.620
  275   HH22  ARG  36          2HH1      ARG  36 -10.696  -2.625   2.590
  276    H    LEU  37           H        LEU  37  -2.010  -2.590  -1.019
  277    HA   LEU  37           HA       LEU  37  -2.079  -0.425   1.037
  278    HB2  LEU  37           2HB      LEU  37  -0.215  -0.509  -1.352
  279    HB3  LEU  37           3HB      LEU  37  -0.239   0.608   0.035
  280    HG   LEU  37           HG       LEU  37   1.640  -0.628   0.320
  281   HD11  LEU  37          1HD1      LEU  37   1.389  -1.640   2.440
  282   HD12  LEU  37          2HD1      LEU  37   0.184  -0.343   2.275
  283   HD13  LEU  37          3HD1      LEU  37  -0.319  -2.034   2.144
  284   HD21  LEU  37          3HD2      LEU  37   0.156  -3.283   0.098
  285   HD22  LEU  37          1HD2      LEU  37   1.113  -2.542  -1.199
  286   HD23  LEU  37          2HD2      LEU  37   1.884  -3.002   0.337
  287    H    SER  38           H        SER  38  -2.640   1.721   0.266
  288    HA   SER  38           HA       SER  38  -3.582   1.880  -2.494
  289    HB2  SER  38           2HB      SER  38  -5.765   2.889  -1.895
  290    HB3  SER  38           3HB      SER  38  -5.617   1.215  -1.370
  291    HG   SER  38           HG       SER  38  -6.455   2.392   0.327
  292    H    LYS  39           H        LYS  39  -3.961   3.950  -3.335
  293    HA   LYS  39           HA       LYS  39  -2.839   6.240  -1.747
  294    HB2  LYS  39           2HB      LYS  39  -1.467   5.916  -3.656
  295    HB3  LYS  39           3HB      LYS  39  -2.859   5.791  -4.743
  296    HG2  LYS  39           2HG      LYS  39  -3.381   8.118  -4.533
  297    HG3  LYS  39           3HG      LYS  39  -2.258   8.334  -3.167
  298    HD2  LYS  39           2HD      LYS  39  -0.342   7.933  -4.595
  299    HD3  LYS  39           3HD      LYS  39  -1.402   7.494  -5.954
  300    HE2  LYS  39           2HE      LYS  39  -0.858   9.605  -6.576
  301    HE3  LYS  39           3HE      LYS  39  -2.355   9.920  -5.697
  302    HZ1  LYS  39           3HZ      LYS  39  -1.022  10.618  -3.787
  303    HZ2  LYS  39           1HZ      LYS  39   0.380  10.175  -4.548
  304    HZ3  LYS  39           2HZ      LYS  39  -0.512  11.433  -5.095
  305    H    LYS  40           H        LYS  40  -4.099   7.845  -1.250
  306    HA   LYS  40           HA       LYS  40  -6.949   7.831  -2.108
  307    HB2  LYS  40           2HB      LYS  40  -6.750   7.716   0.191
  308    HB3  LYS  40           3HB      LYS  40  -5.486   8.907   0.288
  309    HG2  LYS  40           2HG      LYS  40  -8.339   9.563  -0.634
  310    HG3  LYS  40           3HG      LYS  40  -7.877   9.518   1.060
  311    HD2  LYS  40           2HD      LYS  40  -7.003  11.520  -1.026
  312    HD3  LYS  40           3HD      LYS  40  -7.834  11.787   0.505
  313    HE2  LYS  40           2HE      LYS  40  -5.821  11.165   1.761
  314    HE3  LYS  40           3HE      LYS  40  -4.983  10.777   0.241
  315    HZ1  LYS  40           3HZ      LYS  40  -4.506  12.985   1.295
  316    HZ2  LYS  40           1HZ      LYS  40  -4.720  12.946  -0.300
  317    HZ3  LYS  40           2HZ      LYS  40  -5.941  13.516   0.690
  318    H    MET  41           H        MET  41  -7.416   9.061  -3.833
  319    HA   MET  41           HA       MET  41  -6.400  11.808  -4.021
  320    HB2  MET  41           2HB      MET  41  -5.342  11.543  -6.222
  321    HB3  MET  41           3HB      MET  41  -4.505  10.604  -4.989
  322    HG2  MET  41           2HG      MET  41  -5.651   8.546  -5.769
  323    HG3  MET  41           3HG      MET  41  -6.500   9.486  -7.000
  324    HE1  MET  41           3HE      MET  41  -5.829   7.857  -8.826
  325    HE2  MET  41           1HE      MET  41  -4.161   7.312  -9.139
  326    HE3  MET  41           2HE      MET  41  -4.965   6.872  -7.615
  327    H    VAL  42           H        VAL  42  -7.756  13.175  -5.289
  328    HA   VAL  42           HA       VAL  42 -10.158  12.353  -6.425
  329    HB   VAL  42           HB       VAL  42  -8.415  14.635  -7.427
  330   HG11  VAL  42          1HG1      VAL  42 -10.594  15.654  -8.079
  331   HG12  VAL  42          2HG1      VAL  42 -10.267  14.170  -8.968
  332   HG13  VAL  42          3HG1      VAL  42 -11.422  14.152  -7.616
  333   HG21  VAL  42          3HG2      VAL  42  -9.765  16.063  -5.915
  334   HG22  VAL  42          1HG2      VAL  42 -10.545  14.618  -5.244
  335   HG23  VAL  42          2HG2      VAL  42  -8.802  14.899  -5.016
  336    H    ASP  43           H        ASP  43 -10.734  11.249  -8.231
  337    HA   ASP  43           HA       ASP  43  -8.717  10.145 -10.021
  338    HB2  ASP  43           2HB      ASP  43 -10.701   8.881  -9.323
  339    HB3  ASP  43           3HB      ASP  43 -11.751  10.049 -10.120
  340    HA   PRO  44           HA       PRO  44  -8.815  13.660 -12.714
  341    HB2  PRO  44           2HB      PRO  44  -7.229  12.790 -14.786
  342    HB3  PRO  44           3HB      PRO  44  -6.598  13.116 -13.143
  343    HG2  PRO  44           2HG      PRO  44  -7.476  10.436 -14.291
  344    HG3  PRO  44           3HG      PRO  44  -5.930  10.828 -13.459
  345    HD2  PRO  44           2HD      PRO  44  -7.999   9.707 -12.143
  346    HD3  PRO  44           3HD      PRO  44  -6.988  10.965 -11.366
  347    H    GLU  45           H        GLU  45 -10.320  10.711 -13.724
  348    HA   GLU  45           HA       GLU  45 -11.634  12.081 -16.054
  349    HB2  GLU  45           2HB      GLU  45 -11.417   9.123 -15.374
  350    HB3  GLU  45           3HB      GLU  45 -12.351   9.807 -16.708
  351    HG2  GLU  45           2HG      GLU  45 -10.248  10.814 -17.632
  352    HG3  GLU  45           3HG      GLU  45  -9.327   9.997 -16.368
  353    H    LYS  46           H        LYS  46 -12.068  11.182 -12.833
  354    HA   LYS  46           HA       LYS  46 -14.993  11.774 -12.916
  355    HB2  LYS  46           2HB      LYS  46 -13.712   9.607 -11.197
  356    HB3  LYS  46           3HB      LYS  46 -15.419  10.039 -11.233
  357    HG2  LYS  46           2HG      LYS  46 -13.875   8.831 -13.549
  358    HG3  LYS  46           3HG      LYS  46 -14.890   7.937 -12.424
  359    HD2  LYS  46           2HD      LYS  46 -16.898   8.927 -13.194
  360    HD3  LYS  46           3HD      LYS  46 -16.057  10.257 -14.011
  361    HE2  LYS  46           2HE      LYS  46 -14.943   8.658 -15.518
  362    HE3  LYS  46           3HE      LYS  46 -15.838   7.322 -14.772
  363    HZ1  LYS  46           3HZ      LYS  46 -16.938   8.090 -16.809
  364    HZ2  LYS  46           1HZ      LYS  46 -17.909   8.388 -15.531
  365    HZ3  LYS  46           2HZ      LYS  46 -17.071   9.609 -16.227
  366    HA   PRO  47           HA       PRO  47 -12.568  14.250  -9.704
  367    HB2  PRO  47           2HB      PRO  47 -13.060  16.797 -10.649
  368    HB3  PRO  47           3HB      PRO  47 -11.646  15.800 -11.107
  369    HG2  PRO  47           2HG      PRO  47 -14.270  16.105 -12.609
  370    HG3  PRO  47           3HG      PRO  47 -12.596  16.224 -13.257
  371    HD2  PRO  47           2HD      PRO  47 -14.007  13.947 -13.494
  372    HD3  PRO  47           3HD      PRO  47 -12.263  13.906 -13.095
  373    H    GLN  48           H        GLN  48 -15.772  14.284 -11.079
  374    HA   GLN  48           HA       GLN  48 -17.193  15.832  -9.152
  375    HB2  GLN  48           2HB      GLN  48 -18.158  13.394 -10.722
  376    HB3  GLN  48           3HB      GLN  48 -19.151  14.601  -9.923
  377    HG2  GLN  48           2HG      GLN  48 -19.275  15.258 -12.132
  378    HG3  GLN  48           3HG      GLN  48 -18.067  16.353 -11.475
  379   HE21  GLN  48          2HE2      GLN  48 -17.863  16.409 -14.056
  380   HE22  GLN  48          1HE2      GLN  48 -16.650  15.304 -14.691
  381    H    LEU  49           H        LEU  49 -15.839  12.554  -8.908
  382    HA   LEU  49           HA       LEU  49 -17.368  11.712  -6.573
  383    HB2  LEU  49           2HB      LEU  49 -14.592  10.984  -7.614
  384    HB3  LEU  49           3HB      LEU  49 -15.411  10.133  -6.318
  385    HG   LEU  49           HG       LEU  49 -16.435  10.266  -9.184
  386   HD11  LEU  49          1HD1      LEU  49 -14.264   9.058  -8.867
  387   HD12  LEU  49          2HD1      LEU  49 -15.035   8.051  -7.632
  388   HD13  LEU  49          3HD1      LEU  49 -15.591   7.968  -9.328
  389   HD21  LEU  49          3HD2      LEU  49 -17.296   8.651  -6.743
  390   HD22  LEU  49          1HD2      LEU  49 -18.249   9.898  -7.576
  391   HD23  LEU  49          2HD2      LEU  49 -17.877   8.378  -8.407
  392    H    GLY  50           H        GLY  50 -14.568  13.799  -7.032
  393    HA2  GLY  50           2HA      GLY  50 -12.965  14.621  -5.566
  394    HA3  GLY  50           3HA      GLY  50 -13.897  14.029  -4.188
  395    H    MET  51           H        MET  51 -12.344  12.889  -3.199
  396    HA   MET  51           HA       MET  51 -10.277  11.461  -4.465
  397    HB2  MET  51           2HB      MET  51 -10.772  11.368  -1.498
  398    HB3  MET  51           3HB      MET  51  -9.253  11.378  -2.397
  399    HG2  MET  51           2HG      MET  51 -10.063  13.798  -3.143
  400    HG3  MET  51           3HG      MET  51 -11.137  13.658  -1.755
  401    HE1  MET  51           3HE      MET  51  -6.582  14.100  -1.870
  402    HE2  MET  51           1HE      MET  51  -7.580  13.054  -2.917
  403    HE3  MET  51           2HE      MET  51  -7.724  14.819  -3.024
  404    H    ILE  52           H        ILE  52  -9.938   9.365  -4.783
  405    HA   ILE  52           HA       ILE  52 -11.712   7.351  -3.515
  406    HB   ILE  52           HB       ILE  52 -11.301   5.942  -5.595
  407   HG12  ILE  52          2HG1      ILE  52 -11.029   7.108  -7.733
  408   HG13  ILE  52          3HG1      ILE  52 -10.632   8.614  -6.911
  409   HG21  ILE  52          1HG2      ILE  52 -12.992   8.443  -5.909
  410   HG22  ILE  52          2HG2      ILE  52 -13.195   6.885  -6.744
  411   HG23  ILE  52          3HG2      ILE  52 -13.434   6.977  -4.993
  412   HD11  ILE  52          3HD1      ILE  52  -8.531   7.666  -6.105
  413   HD12  ILE  52          1HD1      ILE  52  -9.015   6.046  -6.642
  414   HD13  ILE  52          2HD1      ILE  52  -8.663   7.335  -7.825
  415    H    ASP  53           H        ASP  53 -10.742   5.143  -3.521
  416    HA   ASP  53           HA       ASP  53  -7.934   5.296  -2.504
  417    HB2  ASP  53           2HB      ASP  53 -10.197   3.397  -1.790
  418    HB3  ASP  53           3HB      ASP  53  -8.542   3.290  -1.192
  419    H    ARG  54           H        ARG  54  -6.824   4.924  -4.321
  420    HA   ARG  54           HA       ARG  54  -7.351   2.739  -6.220
  421    HB2  ARG  54           2HB      ARG  54  -5.923   5.161  -6.269
  422    HB3  ARG  54           3HB      ARG  54  -4.636   3.987  -6.161
  423    HG2  ARG  54           2HG      ARG  54  -5.032   4.527  -8.450
  424    HG3  ARG  54           3HG      ARG  54  -5.486   2.841  -8.183
  425    HD2  ARG  54           2HD      ARG  54  -7.820   3.350  -8.342
  426    HD3  ARG  54           3HD      ARG  54  -7.544   5.034  -7.879
  427    HE   ARG  54           HE       ARG  54  -6.322   4.481 -10.433
  428   HH11  ARG  54          1HH2      ARG  54  -9.501   5.120  -9.028
  429   HH12  ARG  54          2HH2      ARG  54  -9.895   6.213 -10.360
  430   HH21  ARG  54          1HH1      ARG  54  -7.102   5.827 -12.137
  431   HH22  ARG  54          2HH1      ARG  54  -8.709   6.528 -11.930
  432    H    TRP  55           H        TRP  55  -7.063   0.630  -5.506
  433    HA   TRP  55           HA       TRP  55  -5.057   0.068  -3.439
  434    HB2  TRP  55           2HB      TRP  55  -7.116  -1.715  -4.748
  435    HB3  TRP  55           3HB      TRP  55  -5.996  -2.233  -3.498
  436    HD1  TRP  55           HD1      TRP  55  -9.249  -0.444  -3.975
  437    HE1  TRP  55           HE1      TRP  55 -10.283   0.190  -1.721
  438    HE3  TRP  55           HE3      TRP  55  -5.270  -1.519  -0.905
  439    HZ2  TRP  55           HZ2      TRP  55  -9.468   0.325   1.039
  440    HZ3  TRP  55           HZ3      TRP  55  -5.405  -1.022   1.520
  441    HH2  TRP  55           HH2      TRP  55  -7.497  -0.126   2.508
  442    H    TYR  56           H        TYR  56  -3.477  -1.484  -3.505
  443    HA   TYR  56           HA       TYR  56  -2.356  -2.515  -6.038
  444    HB2  TYR  56           2HB      TYR  56  -0.898  -0.844  -3.941
  445    HB3  TYR  56           3HB      TYR  56  -0.170  -1.572  -5.369
  446    HD1  TYR  56           HD2      TYR  56  -0.995  -0.832  -7.653
  447    HD2  TYR  56           HD1      TYR  56  -1.888   1.346  -4.065
  448    HE1  TYR  56           HE2      TYR  56  -1.589   1.188  -9.027
  449    HE2  TYR  56           HE1      TYR  56  -2.507   3.337  -5.421
  450    HH   TYR  56           HH       TYR  56  -2.691   4.226  -7.541
  451    H    HIS  57           H        HIS  57  -0.840  -4.164  -5.746
  452    HA   HIS  57           HA       HIS  57  -0.948  -5.927  -3.382
  453    HB2  HIS  57           2HB      HIS  57   0.885  -5.914  -5.801
  454    HB3  HIS  57           3HB      HIS  57   0.975  -7.099  -4.526
  455    HD2  HIS  57           HD2      HIS  57  -1.471  -8.496  -4.048
  456    HE1  HIS  57           HE1      HIS  57  -2.493  -8.463  -8.172
  457    HE2  HIS  57           HE2      HIS  57  -2.937  -9.592  -5.956
  458    HA   PRO  58           HA       PRO  58   2.722  -4.181  -1.237
  459    HB2  PRO  58           2HB      PRO  58   3.606  -7.043  -0.960
  460    HB3  PRO  58           3HB      PRO  58   3.509  -5.762   0.290
  461    HG2  PRO  58           2HG      PRO  58   1.585  -7.648   0.188
  462    HG3  PRO  58           3HG      PRO  58   1.114  -5.919   0.358
  463    HD2  PRO  58           2HD      PRO  58   1.221  -7.574  -2.184
  464    HD3  PRO  58           3HD      PRO  58  -0.122  -6.577  -1.556
  465    H    GLY  59           H        GLY  59   3.171  -6.453  -3.867
  466    HA2  GLY  59           2HA      GLY  59   5.997  -5.734  -4.313
  467    HA3  GLY  59           3HA      GLY  59   4.995  -6.801  -5.301
  468    H    CYS  60           HN       CYS  60   2.842  -4.623  -5.478
  469    HA   CYS  60           HA       CYS  60   4.006  -3.351  -7.864
  470    HB2  CYS  60           2HB      CYS  60   1.132  -3.540  -6.953
  471    HB3  CYS  60           3HB      CYS  60   1.712  -3.044  -8.549
  472    H    PHE  61           H        PHE  61   2.433  -2.298  -4.830
  473    HA   PHE  61           HA       PHE  61   2.258   0.443  -5.536
  474    HB2  PHE  61           2HB      PHE  61   1.602   0.780  -3.424
  475    HB3  PHE  61           3HB      PHE  61   1.477  -0.974  -3.406
  476    HD1  PHE  61           HD2      PHE  61   3.263  -2.336  -2.371
  477    HD2  PHE  61           HD1      PHE  61   3.264   1.944  -2.108
  478    HE1  PHE  61           HE2      PHE  61   4.804  -2.471  -0.405
  479    HE2  PHE  61           HE1      PHE  61   4.781   1.829  -0.125
  480    HZ   PHE  61           HZ       PHE  61   5.551  -0.380   0.723
  481    H    VAL  62           H        VAL  62   5.017  -1.421  -4.330
  482    HA   VAL  62           HA       VAL  62   6.976   0.664  -4.287
  483    HB   VAL  62           HB       VAL  62   7.352  -2.294  -4.880
  484   HG11  VAL  62          1HG1      VAL  62   9.653  -1.924  -4.004
  485   HG12  VAL  62          2HG1      VAL  62   9.367  -1.041  -5.501
  486   HG13  VAL  62          3HG1      VAL  62   9.340  -0.178  -3.942
  487   HG21  VAL  62          3HG2      VAL  62   6.260  -2.002  -2.729
  488   HG22  VAL  62          1HG2      VAL  62   7.941  -2.415  -2.455
  489   HG23  VAL  62          2HG2      VAL  62   7.407  -0.730  -2.263
  490    H    LYS  63           H        LYS  63   5.881  -1.395  -7.042
  491    HA   LYS  63           HA       LYS  63   7.919  -0.457  -8.879
  492    HB2  LYS  63           2HB      LYS  63   5.232  -1.813  -9.297
  493    HB3  LYS  63           3HB      LYS  63   6.293  -1.352 -10.627
  494    HG2  LYS  63           2HG      LYS  63   8.116  -2.744  -9.649
  495    HG3  LYS  63           3HG      LYS  63   6.995  -3.324  -8.423
  496    HD2  LYS  63           2HD      LYS  63   6.715  -3.644 -11.444
  497    HD3  LYS  63           3HD      LYS  63   7.245  -4.909 -10.345
  498    HE2  LYS  63           2HE      LYS  63   4.495  -3.590 -10.178
  499    HE3  LYS  63           3HE      LYS  63   4.816  -5.007 -11.171
  500    HZ1  LYS  63           3HZ      LYS  63   5.335  -6.279  -9.247
  501    HZ2  LYS  63           1HZ      LYS  63   5.357  -4.965  -8.260
  502    HZ3  LYS  63           2HZ      LYS  63   3.937  -5.482  -8.894
  503    H    ASN  64           H        ASN  64   4.681   0.789  -8.095
  504    HA   ASN  64           HA       ASN  64   5.130   3.049  -9.982
  505    HB2  ASN  64           2HB      ASN  64   2.543   3.387  -9.197
  506    HB3  ASN  64           3HB      ASN  64   3.121   2.686 -10.683
  507   HD21  ASN  64          1HD2      ASN  64   1.741   1.890  -7.489
  508   HD22  ASN  64          2HD2      ASN  64   1.218   0.301  -8.041
  509    H    ARG  65           H        ARG  65   6.165   2.560  -6.991
  510    HA   ARG  65           HA       ARG  65   5.123   4.437  -5.304
  511    HB2  ARG  65           2HB      ARG  65   7.201   4.377  -4.124
  512    HB3  ARG  65           3HB      ARG  65   6.985   2.808  -4.862
  513    HG2  ARG  65           2HG      ARG  65   8.489   3.622  -6.780
  514    HG3  ARG  65           3HG      ARG  65   8.811   5.068  -5.803
  515    HD2  ARG  65           2HD      ARG  65   9.771   3.761  -4.042
  516    HD3  ARG  65           3HD      ARG  65   9.351   2.238  -4.842
  517    HE   ARG  65           HE       ARG  65  11.611   3.991  -5.409
  518   HH11  ARG  65          1HH2      ARG  65   9.598   1.515  -6.907
  519   HH12  ARG  65          2HH2      ARG  65  10.860   1.081  -8.033
  520   HH21  ARG  65          1HH1      ARG  65  13.135   3.380  -6.893
  521   HH22  ARG  65          2HH1      ARG  65  12.788   2.114  -8.030
  522    H    GLU  66           H        GLU  66   7.317   5.147  -7.957
  523    HA   GLU  66           HA       GLU  66   7.640   7.937  -7.249
  524    HB2  GLU  66           2HB      GLU  66   8.979   8.048  -9.312
  525    HB3  GLU  66           3HB      GLU  66   9.474   6.760  -8.204
  526    HG2  GLU  66           2HG      GLU  66   8.392   5.062  -9.581
  527    HG3  GLU  66           3HG      GLU  66   7.724   6.296 -10.657
  528    H    GLU  67           H        GLU  67   5.343   6.175  -9.145
  529    HA   GLU  67           HA       GLU  67   4.156   8.561 -10.395
  530    HB2  GLU  67           2HB      GLU  67   4.161   6.383 -11.558
  531    HB3  GLU  67           3HB      GLU  67   3.148   5.700 -10.280
  532    HG2  GLU  67           2HG      GLU  67   1.339   7.251 -10.814
  533    HG3  GLU  67           3HG      GLU  67   2.367   8.116 -11.963
  534    H    LEU  68           H        LEU  68   3.555   6.320  -7.649
  535    HA   LEU  68           HA       LEU  68   1.227   7.693  -6.643
  536    HB2  LEU  68           2HB      LEU  68   3.248   5.945  -5.196
  537    HB3  LEU  68           3HB      LEU  68   1.669   6.404  -4.573
  538    HG   LEU  68           HG       LEU  68   2.214   4.604  -6.968
  539   HD11  LEU  68          1HD1      LEU  68   1.173   2.871  -5.550
  540   HD12  LEU  68          2HD1      LEU  68   2.645   3.531  -4.818
  541   HD13  LEU  68          3HD1      LEU  68   1.047   4.037  -4.222
  542   HD21  LEU  68          3HD2      LEU  68   0.138   5.905  -7.340
  543   HD22  LEU  68          1HD2      LEU  68  -0.122   4.185  -7.109
  544   HD23  LEU  68          2HD2      LEU  68  -0.475   5.301  -5.773
  545    H    GLY  69           H        GLY  69   4.674   8.334  -6.203
  546    HA2  GLY  69           2HA      GLY  69   5.331  10.632  -5.916
  547    HA3  GLY  69           3HA      GLY  69   3.929  10.929  -4.897
  548    H    PHE  70           H        PHE  70   5.792   8.020  -4.304
  549    HA   PHE  70           HA       PHE  70   6.470   8.723  -1.599
  550    HB2  PHE  70           2HB      PHE  70   7.287   6.512  -3.494
  551    HB3  PHE  70           3HB      PHE  70   8.024   6.665  -1.921
  552    HD1  PHE  70           HD1      PHE  70   4.802   5.920  -3.624
  553    HD2  PHE  70           HD2      PHE  70   6.900   6.160   0.103
  554    HE1  PHE  70           HE1      PHE  70   3.049   4.518  -2.555
  555    HE2  PHE  70           HE2      PHE  70   5.174   4.742   1.189
  556    HZ   PHE  70           HZ       PHE  70   3.254   3.899  -0.162
  557    H    ARG  71           H        ARG  71   8.295   9.379  -0.664
  558    HA   ARG  71           HA       ARG  71  10.867   9.560  -2.123
  559    HB2  ARG  71           2HB      ARG  71   9.726  11.714  -0.294
  560    HB3  ARG  71           3HB      ARG  71  11.351  11.722  -0.965
  561    HG2  ARG  71           2HG      ARG  71  10.479  11.969  -3.245
  562    HG3  ARG  71           3HG      ARG  71   8.814  11.859  -2.646
  563    HD2  ARG  71           2HD      ARG  71   9.355  13.807  -1.107
  564    HD3  ARG  71           3HD      ARG  71  10.831  14.051  -2.039
  565    HE   ARG  71           HE       ARG  71   8.043  14.580  -2.820
  566   HH11  ARG  71          1HH2      ARG  71  11.289  14.276  -4.119
  567   HH12  ARG  71          2HH2      ARG  71  10.885  15.142  -5.576
  568   HH21  ARG  71          1HH1      ARG  71   7.604  15.679  -4.696
  569   HH22  ARG  71          2HH1      ARG  71   8.849  15.915  -5.887
  570    HA   PRO  72           HA       PRO  72  12.542   7.589   1.492
  571    HB2  PRO  72           2HB      PRO  72  14.560   9.836   1.623
  572    HB3  PRO  72           3HB      PRO  72  14.829   8.068   1.755
  573    HG2  PRO  72           2HG      PRO  72  15.342   9.319  -0.577
  574    HG3  PRO  72           3HG      PRO  72  14.426   7.774  -0.601
  575    HD2  PRO  72           2HD      PRO  72  13.341  10.604  -0.750
  576    HD3  PRO  72           3HD      PRO  72  12.925   9.182  -1.752
  577    H    GLU  73           H        GLU  73  11.988  11.106   1.833
  578    HA   GLU  73           HA       GLU  73  11.975  11.102   4.718
  579    HB2  GLU  73           2HB      GLU  73  11.184  13.372   4.531
  580    HB3  GLU  73           3HB      GLU  73  12.484  13.085   3.376
  581    HG2  GLU  73           2HG      GLU  73  10.766  12.793   1.564
  582    HG3  GLU  73           3HG      GLU  73   9.502  13.182   2.732
  583    H    TYR  74           H        TYR  74   9.627   9.918   2.541
  584    HA   TYR  74           HA       TYR  74   7.832   9.345   4.743
  585    HB2  TYR  74           2HB      TYR  74   5.790  10.197   3.516
  586    HB3  TYR  74           3HB      TYR  74   6.792  11.310   4.404
  587    HD1  TYR  74           HD2      TYR  74   7.213  10.118   0.840
  588    HD2  TYR  74           HD1      TYR  74   6.403  13.384   3.531
  589    HE1  TYR  74           HE2      TYR  74   7.154  11.701  -1.083
  590    HE2  TYR  74           HE1      TYR  74   6.360  14.959   1.613
  591    HH   TYR  74           HH       TYR  74   6.496  15.197  -0.651
  592    H    SER  75           H        SER  75   9.164   7.487   3.924
  593    HA   SER  75           HA       SER  75   8.094   5.927   1.706
  594    HB2  SER  75           2HB      SER  75  10.082   5.330   3.886
  595    HB3  SER  75           3HB      SER  75   9.669   4.211   2.572
  596    HG   SER  75           HG       SER  75  10.318   6.852   1.897
  597    H    ALA  76           H        ALA  76   7.909   3.358   2.665
  598    HA   ALA  76           HA       ALA  76   5.206   3.141   3.147
  599    HB1  ALA  76           1HB      ALA  76   7.376   1.111   3.840
  600    HB2  ALA  76           2HB      ALA  76   5.666   0.774   3.499
  601    HB3  ALA  76           3HB      ALA  76   6.711   1.397   2.213
  602    H    SER  77           H        SER  77   7.530   3.753   5.685
  603    HA   SER  77           HA       SER  77   6.024   2.748   7.917
  604    HB2  SER  77           2HB      SER  77   7.529   4.326   9.185
  605    HB3  SER  77           3HB      SER  77   8.390   3.195   8.122
  606    HG   SER  77           HG       SER  77   9.157   5.363   7.919
  607    H    GLN  78           H        GLN  78   5.503   5.460   5.818
  608    HA   GLN  78           HA       GLN  78   3.681   6.743   7.737
  609    HB2  GLN  78           2HB      GLN  78   5.063   7.929   5.311
  610    HB3  GLN  78           3HB      GLN  78   4.007   8.773   6.448
  611    HG2  GLN  78           2HG      GLN  78   5.642   8.133   8.313
  612    HG3  GLN  78           3HG      GLN  78   6.723   7.536   7.058
  613   HE21  GLN  78          2HE2      GLN  78   8.353   9.063   7.690
  614   HE22  GLN  78          1HE2      GLN  78   8.224  10.699   7.069
  615    H    LEU  79           H        LEU  79   2.996   4.375   6.183
  616    HA   LEU  79           HA       LEU  79   0.704   5.345   4.552
  617    HB2  LEU  79           2HB      LEU  79   1.759   2.582   5.308
  618    HB3  LEU  79           3HB      LEU  79   0.244   2.826   4.462
  619    HG   LEU  79           HG       LEU  79   2.783   3.906   3.216
  620   HD11  LEU  79          1HD1      LEU  79   3.225   1.841   2.062
  621   HD12  LEU  79          2HD1      LEU  79   3.290   1.512   3.800
  622   HD13  LEU  79          3HD1      LEU  79   1.880   1.025   2.871
  623   HD21  LEU  79          3HD2      LEU  79   0.385   2.530   1.957
  624   HD22  LEU  79          1HD2      LEU  79   0.408   4.251   2.338
  625   HD23  LEU  79          2HD2      LEU  79   1.574   3.590   1.186
  626    H    LYS  80           H        LYS  80  -1.348   5.479   5.368
  627    HA   LYS  80           HA       LYS  80  -1.926   5.429   8.169
  628    HB2  LYS  80           2HB      LYS  80  -3.951   4.880   5.951
  629    HB3  LYS  80           3HB      LYS  80  -4.295   5.407   7.596
  630    HG2  LYS  80           2HG      LYS  80  -3.017   7.518   7.106
  631    HG3  LYS  80           3HG      LYS  80  -2.921   6.997   5.410
  632    HD2  LYS  80           2HD      LYS  80  -5.476   7.515   7.010
  633    HD3  LYS  80           3HD      LYS  80  -4.746   8.637   5.855
  634    HE2  LYS  80           2HE      LYS  80  -5.087   7.002   4.025
  635    HE3  LYS  80           3HE      LYS  80  -5.809   5.860   5.170
  636    HZ1  LYS  80           3HZ      LYS  80  -7.579   7.476   5.583
  637    HZ2  LYS  80           1HZ      LYS  80  -6.919   8.544   4.536
  638    HZ3  LYS  80           2HZ      LYS  80  -7.515   7.123   3.992
  639    H    GLY  81           H        GLY  81  -2.329   3.839   9.580
  640    HA2  GLY  81           2HA      GLY  81  -2.958   1.771  10.426
  641    HA3  GLY  81           3HA      GLY  81  -3.535   1.300   8.827
  642    H    PHE  82           H        PHE  82  -0.246   2.255   8.547
  643    HA   PHE  82           HA       PHE  82   0.835  -0.305   8.035
  644    HB2  PHE  82           2HB      PHE  82   1.957   1.648   7.277
  645    HB3  PHE  82           3HB      PHE  82   1.962   2.385   8.870
  646    HD1  PHE  82           HD2      PHE  82   3.668  -0.053   6.680
  647    HD2  PHE  82           HD1      PHE  82   3.604   1.865  10.534
  648    HE1  PHE  82           HE2      PHE  82   5.995  -0.823   7.105
  649    HE2  PHE  82           HE1      PHE  82   5.923   1.069  10.973
  650    HZ   PHE  82           HZ       PHE  82   7.110  -0.288   9.253
  651    H    SER  83           H        SER  83   0.918   1.649  11.050
  652    HA   SER  83           HA       SER  83   2.406  -0.125  12.635
  653    HB2  SER  83           2HB      SER  83   0.281   1.876  13.478
  654    HB3  SER  83           3HB      SER  83   1.542   1.190  14.528
  655    HG   SER  83           HG       SER  83   2.117   3.251  13.668
  656    H    LEU  84           H        LEU  84  -0.972  -0.298  11.776
  657    HA   LEU  84           HA       LEU  84  -1.843  -1.990  13.938
  658    HB2  LEU  84           2HB      LEU  84  -3.059  -0.212  12.337
  659    HB3  LEU  84           3HB      LEU  84  -3.242  -1.604  11.279
  660    HG   LEU  84           HG       LEU  84  -4.482  -2.779  13.153
  661   HD11  LEU  84          1HD1      LEU  84  -5.334  -1.281  14.992
  662   HD12  LEU  84          2HD1      LEU  84  -3.593  -1.562  15.100
  663   HD13  LEU  84          3HD1      LEU  84  -4.193  -0.025  14.449
  664   HD21  LEU  84          3HD2      LEU  84  -5.526  -0.046  12.288
  665   HD22  LEU  84          1HD2      LEU  84  -5.640  -1.550  11.347
  666   HD23  LEU  84          2HD2      LEU  84  -6.517  -1.402  12.881
  667    H    LEU  85           H        LEU  85  -0.114  -2.648  11.048
  668    HA   LEU  85           HA       LEU  85  -1.124  -5.360  10.579
  669    HB2  LEU  85           2HB      LEU  85   1.375  -3.946   9.614
  670    HB3  LEU  85           3HB      LEU  85   0.798  -5.487   9.007
  671    HG   LEU  85           HG       LEU  85  -0.766  -2.883   8.742
  672   HD11  LEU  85          1HD1      LEU  85   0.999  -4.330   6.721
  673   HD12  LEU  85          2HD1      LEU  85   0.002  -2.893   6.403
  674   HD13  LEU  85          3HD1      LEU  85   1.378  -2.783   7.511
  675   HD21  LEU  85          3HD2      LEU  85  -2.213  -4.820   8.576
  676   HD22  LEU  85          1HD2      LEU  85  -1.984  -4.084   6.985
  677   HD23  LEU  85          2HD2      LEU  85  -1.114  -5.571   7.392
  678    H    ALA  86           H        ALA  86   0.560  -7.200  10.570
  679    HA   ALA  86           HA       ALA  86   1.728  -7.599  13.186
  680    HB1  ALA  86           1HB      ALA  86   0.817  -9.428  11.755
  681    HB2  ALA  86           2HB      ALA  86   2.123  -9.138  10.585
  682    HB3  ALA  86           3HB      ALA  86   2.508  -9.710  12.223
  683    H    THR  87           H        THR  87   3.931  -7.675  13.761
  684    HA   THR  87           HA       THR  87   5.613  -5.651  12.848
  685    HB   THR  87           HB       THR  87   6.520  -8.231  14.153
  686    HG1  THR  87           1HG      THR  87   6.004  -7.184  16.088
  687   HG21  THR  87          1HG2      THR  87   7.571  -5.365  14.343
  688   HG22  THR  87          2HG2      THR  87   8.155  -6.739  15.310
  689   HG23  THR  87          3HG2      THR  87   8.396  -6.732  13.560
  690    H    GLU  88           H        GLU  88   5.615  -9.079  11.801
  691    HA   GLU  88           HA       GLU  88   7.967  -8.883  10.170
  692    HB2  GLU  88           2HB      GLU  88   7.288 -11.001   9.235
  693    HB3  GLU  88           3HB      GLU  88   7.095 -11.002  10.986
  694    HG2  GLU  88           2HG      GLU  88   4.626 -10.587  10.671
  695    HG3  GLU  88           3HG      GLU  88   4.863 -10.718   8.927
  696    H    ASP  89           H        ASP  89   4.595  -8.003   9.483
  697    HA   ASP  89           HA       ASP  89   5.126  -7.617   6.604
  698    HB2  ASP  89           2HB      ASP  89   2.733  -7.033   8.375
  699    HB3  ASP  89           3HB      ASP  89   2.826  -6.563   6.683
  700    H    LYS  90           H        LYS  90   4.838  -5.590   9.527
  701    HA   LYS  90           HA       LYS  90   5.273  -3.030   8.283
  702    HB2  LYS  90           2HB      LYS  90   5.832  -4.157  11.052
  703    HB3  LYS  90           3HB      LYS  90   6.221  -2.483  10.641
  704    HG2  LYS  90           2HG      LYS  90   4.014  -1.847  10.373
  705    HG3  LYS  90           3HG      LYS  90   3.480  -3.463   9.937
  706    HD2  LYS  90           2HD      LYS  90   2.510  -2.934  12.024
  707    HD3  LYS  90           3HD      LYS  90   3.699  -4.210  12.278
  708    HE2  LYS  90           2HE      LYS  90   5.298  -2.566  13.185
  709    HE3  LYS  90           3HE      LYS  90   4.164  -1.254  12.830
  710    HZ1  LYS  90           3HZ      LYS  90   3.978  -1.948  15.156
  711    HZ2  LYS  90           1HZ      LYS  90   2.576  -2.300  14.380
  712    HZ3  LYS  90           2HZ      LYS  90   3.644  -3.488  14.727
  713    H    GLU  91           H        GLU  91   7.607  -5.453   9.483
  714    HA   GLU  91           HA       GLU  91   9.963  -4.022   8.606
  715    HB2  GLU  91           2HB      GLU  91   9.371  -6.946   9.191
  716    HB3  GLU  91           3HB      GLU  91  10.946  -6.412   8.614
  717    HG2  GLU  91           2HG      GLU  91   9.585  -5.368  11.129
  718    HG3  GLU  91           3HG      GLU  91  10.818  -6.628  11.093
  719    H    ALA  92           H        ALA  92   8.051  -6.624   6.965
  720    HA   ALA  92           HA       ALA  92   9.647  -6.705   4.653
  721    HB1  ALA  92           1HB      ALA  92   6.680  -7.261   4.937
  722    HB2  ALA  92           2HB      ALA  92   7.733  -7.820   3.617
  723    HB3  ALA  92           3HB      ALA  92   8.008  -8.403   5.271
  724    H    LEU  93           H        LEU  93   6.926  -4.449   5.307
  725    HA   LEU  93           HA       LEU  93   6.864  -3.319   2.649
  726    HB2  LEU  93           2HB      LEU  93   5.989  -2.339   5.389
  727    HB3  LEU  93           3HB      LEU  93   5.745  -1.393   3.926
  728    HG   LEU  93           HG       LEU  93   4.582  -4.180   4.333
  729   HD11  LEU  93          1HD1      LEU  93   3.292  -1.428   4.586
  730   HD12  LEU  93          2HD1      LEU  93   2.454  -2.990   4.705
  731   HD13  LEU  93          3HD1      LEU  93   3.650  -2.544   5.928
  732   HD21  LEU  93          3HD2      LEU  93   4.824  -3.600   1.954
  733   HD22  LEU  93          1HD2      LEU  93   3.130  -3.567   2.439
  734   HD23  LEU  93          2HD2      LEU  93   4.018  -2.040   2.241
  735    H    LYS  94           H        LYS  94   8.654  -2.366   5.623
  736    HA   LYS  94           HA       LYS  94  10.028  -0.123   4.384
  737    HB2  LYS  94           2HB      LYS  94  10.695  -1.837   6.806
  738    HB3  LYS  94           3HB      LYS  94  11.582  -0.381   6.342
  739    HG2  LYS  94           2HG      LYS  94   9.564   1.001   6.609
  740    HG3  LYS  94           3HG      LYS  94   8.614  -0.417   7.052
  741    HD2  LYS  94           2HD      LYS  94  10.977   0.719   8.613
  742    HD3  LYS  94           3HD      LYS  94   9.266   0.862   9.043
  743    HE2  LYS  94           2HE      LYS  94   9.147  -1.666   9.157
  744    HE3  LYS  94           3HE      LYS  94  10.888  -1.719   8.869
  745    HZ1  LYS  94           3HZ      LYS  94  11.129  -0.366  10.936
  746    HZ2  LYS  94           1HZ      LYS  94   9.536  -0.585  11.250
  747    HZ3  LYS  94           2HZ      LYS  94  10.553  -1.882  11.165
  748    H    LYS  95           H        LYS  95  10.829  -3.584   4.768
  749    HA   LYS  95           HA       LYS  95  13.483  -3.420   3.758
  750    HB2  LYS  95           2HB      LYS  95  11.476  -5.682   3.905
  751    HB3  LYS  95           3HB      LYS  95  13.075  -5.927   3.201
  752    HG2  LYS  95           2HG      LYS  95  14.206  -5.327   5.222
  753    HG3  LYS  95           3HG      LYS  95  12.720  -4.768   5.995
  754    HD2  LYS  95           2HD      LYS  95  11.795  -7.061   5.928
  755    HD3  LYS  95           3HD      LYS  95  13.275  -7.659   5.171
  756    HE2  LYS  95           2HE      LYS  95  13.167  -6.275   7.896
  757    HE3  LYS  95           3HE      LYS  95  13.052  -8.022   7.684
  758    HZ1  LYS  95           3HZ      LYS  95  15.325  -7.361   8.163
  759    HZ2  LYS  95           1HZ      LYS  95  15.257  -8.003   6.666
  760    HZ3  LYS  95           2HZ      LYS  95  15.389  -6.385   6.858
  761    H    GLN  96           H        GLN  96  10.506  -3.320   1.995
  762    HA   GLN  96           HA       GLN  96  11.882  -3.644  -0.631
  763    HB2  GLN  96           2HB      GLN  96   8.948  -3.506   0.143
  764    HB3  GLN  96           3HB      GLN  96   9.557  -3.621  -1.516
  765    HG2  GLN  96           2HG      GLN  96  10.527  -5.788  -1.139
  766    HG3  GLN  96           3HG      GLN  96  10.220  -5.709   0.596
  767   HE21  GLN  96          2HE2      GLN  96   7.967  -5.710   1.344
  768   HE22  GLN  96          1HE2      GLN  96   6.745  -6.508   0.340
  769    H    LEU  97           H        LEU  97  10.236  -1.199   1.379
  770    HA   LEU  97           HA       LEU  97  11.397   0.913  -0.339
  771    HB2  LEU  97           2HB      LEU  97   9.145   0.491  -1.159
  772    HB3  LEU  97           3HB      LEU  97   8.464   0.718   0.448
  773    HG   LEU  97           HG       LEU  97   8.962   3.090   0.409
  774   HD11  LEU  97          1HD1      LEU  97  10.023   4.151  -1.604
  775   HD12  LEU  97          2HD1      LEU  97  11.140   3.173  -0.656
  776   HD13  LEU  97          3HD1      LEU  97  10.476   2.520  -2.171
  777   HD21  LEU  97          3HD2      LEU  97   7.887   2.160  -2.287
  778   HD22  LEU  97          1HD2      LEU  97   6.956   2.357  -0.787
  779   HD23  LEU  97          2HD2      LEU  97   7.663   3.772  -1.578
  780    HA   PRO  98           HA       PRO  98  11.937   1.833   4.119
  781    HB2  PRO  98           2HB      PRO  98  14.686   1.920   4.243
  782    HB3  PRO  98           3HB      PRO  98  13.718   0.434   4.366
  783    HG2  PRO  98           2HG      PRO  98  15.371   1.395   2.081
  784    HG3  PRO  98           3HG      PRO  98  14.836  -0.268   2.485
  785    HD2  PRO  98           2HD      PRO  98  13.699   1.547   0.550
  786    HD3  PRO  98           3HD      PRO  98  13.151  -0.092   0.995
  787    H    GLY  99           H        GLY  99  12.159   3.864   5.106
  788    HA2  GLY  99           2HA      GLY  99  12.909   6.179   3.420
  789    HA3  GLY  99           3HA      GLY  99  11.956   6.196   4.893
  790    H    VAL 100           H        VAL 100  13.345   8.010   5.213
  791    HA   VAL 100           HA       VAL 100  16.124   7.701   6.070
  792    HB   VAL 100           HB       VAL 100  14.159  10.009   6.434
  793   HG11  VAL 100          1HG1      VAL 100  17.188   9.940   6.833
  794   HG12  VAL 100          2HG1      VAL 100  16.188  11.407   6.803
  795   HG13  VAL 100          3HG1      VAL 100  15.960  10.235   8.090
  796   HG21  VAL 100          3HG2      VAL 100  15.413  11.074   4.593
  797   HG22  VAL 100          1HG2      VAL 100  16.420   9.618   4.420
  798   HG23  VAL 100          2HG2      VAL 100  14.684   9.563   4.059
  799    H    LYS 101           H        LYS 101  16.955   7.728   8.010
  800    HA   LYS 101           HA       LYS 101  15.456   6.404  10.115
  801    HB2  LYS 101           2HB      LYS 101  17.849   5.913   9.167
  802    HB3  LYS 101           3HB      LYS 101  18.384   7.188  10.272
  803    HG2  LYS 101           2HG      LYS 101  17.205   5.920  12.132
  804    HG3  LYS 101           3HG      LYS 101  16.830   4.659  10.952
  805    HD2  LYS 101           2HD      LYS 101  19.652   5.545  11.730
  806    HD3  LYS 101           3HD      LYS 101  18.798   4.162  12.417
  807    HE2  LYS 101           2HE      LYS 101  18.569   3.244  10.046
  808    HE3  LYS 101           3HE      LYS 101  19.661   4.534   9.514
  809    HZ1  LYS 101           3HZ      LYS 101  20.874   2.487   9.986
  810    HZ2  LYS 101           1HZ      LYS 101  21.344   3.631  11.057
  811    HZ3  LYS 101           2HZ      LYS 101  20.298   2.441  11.519
  812    H    SER 102           H        SER 102  14.419   8.918   9.823
  813    HA   SER 102           HA       SER 102  15.549  11.025  11.283
  814    HB2  SER 102           2HB      SER 102  12.591  10.489  10.827
  815    HB3  SER 102           3HB      SER 102  13.355  12.062  11.146
  816    HG   SER 102           HG       SER 102  12.990  11.756   8.918
  817    H    GLU 103           H        GLU 103  13.836   8.275  12.579
  818    HA   GLU 103           HA       GLU 103  13.386   9.542  15.226
  819    HB2  GLU 103           2HB      GLU 103  12.827   6.756  14.136
  820    HB3  GLU 103           3HB      GLU 103  12.576   7.230  15.816
  821    HG2  GLU 103           2HG      GLU 103  11.073   9.100  15.007
  822    HG3  GLU 103           3HG      GLU 103  11.192   8.416  13.381
  823    H    GLY 104           H        GLY 104  16.013   7.909  13.717
  824    HA2  GLY 104           2HA      GLY 104  18.048   7.233  14.480
  825    HA3  GLY 104           3HA      GLY 104  17.690   8.092  15.976
  826    H    LYS 105           H        LYS 105  15.457   5.517  15.395
  827    HA   LYS 105           HA       LYS 105  16.493   4.077  17.745
  828    HB2  LYS 105           2HB      LYS 105  14.011   3.672  16.016
  829    HB3  LYS 105           3HB      LYS 105  14.392   2.751  17.474
  830    HG2  LYS 105           2HG      LYS 105  14.331   4.830  18.824
  831    HG3  LYS 105           3HG      LYS 105  13.902   5.754  17.372
  832    HD2  LYS 105           2HD      LYS 105  11.830   4.406  17.109
  833    HD3  LYS 105           3HD      LYS 105  12.288   3.433  18.510
  834    HE2  LYS 105           2HE      LYS 105  10.656   4.965  19.276
  835    HE3  LYS 105           3HE      LYS 105  12.204   5.495  19.939
  836    HZ1  LYS 105           3HZ      LYS 105  12.284   7.192  18.186
  837    HZ2  LYS 105           1HZ      LYS 105  10.860   6.666  17.543
  838    HZ3  LYS 105           2HZ      LYS 105  10.895   7.343  19.030
  839    H    ARG 106           H        ARG 106  16.360   3.525  14.292
  840    HA   ARG 106           HA       ARG 106  16.716   0.653  14.516
  841    HB2  ARG 106           2HB      ARG 106  15.221   1.816  12.877
  842    HB3  ARG 106           3HB      ARG 106  16.653   2.369  12.005
  843    HG2  ARG 106           2HG      ARG 106  17.304  -0.014  11.601
  844    HG3  ARG 106           3HG      ARG 106  15.891  -0.546  12.531
  845    HD2  ARG 106           2HD      ARG 106  14.417   0.672  10.882
  846    HD3  ARG 106           3HD      ARG 106  15.857   1.092   9.960
  847    HE   ARG 106           HE       ARG 106  15.993  -1.064   9.120
  848   HH11  ARG 106          1HH2      ARG 106  13.699  -1.229  11.784
  849   HH12  ARG 106          2HH2      ARG 106  12.968  -2.700  11.147
  850   HH21  ARG 106          1HH1      ARG 106  15.112  -3.036   8.530
  851   HH22  ARG 106          2HH1      ARG 106  13.834  -3.730   9.523
  852    H    LYS 107           H        LYS 107  18.783   0.919  15.733
  853    HA   LYS 107           HA       LYS 107  21.134   2.052  14.681
  854    HB2  LYS 107           2HB      LYS 107  21.040  -0.387  16.507
  855    HB3  LYS 107           3HB      LYS 107  22.371   0.745  16.314
  856    HG2  LYS 107           2HG      LYS 107  19.688   1.258  17.636
  857    HG3  LYS 107           3HG      LYS 107  21.279   1.192  18.385
  858    HD2  LYS 107           2HD      LYS 107  21.926   3.252  17.056
  859    HD3  LYS 107           3HD      LYS 107  20.240   3.348  16.495
  860    HE2  LYS 107           2HE      LYS 107  19.498   3.385  18.899
  861    HE3  LYS 107           3HE      LYS 107  21.197   3.428  19.391
  862    HZ1  LYS 107           3HZ      LYS 107  20.273   5.659  19.314
  863    HZ2  LYS 107           1HZ      LYS 107  21.397   5.539  18.135
  864    HZ3  LYS 107           2HZ      LYS 107  19.797   5.480  17.762
  865    H    GLY 108           H        GLY 108  20.281  -1.428  14.456
  866    HA2  GLY 108           2HA      GLY 108  20.916  -3.056  12.936
  867    HA3  GLY 108           3HA      GLY 108  21.140  -1.749  11.775
  868    H    ASP 109           H        ASP 109  23.139  -1.515  10.998
  869    HA   ASP 109           HA       ASP 109  25.458  -2.918  12.130
  870    HB2  ASP 109           2HB      ASP 109  24.889  -2.808   9.681
  871    HB3  ASP 109           3HB      ASP 109  25.210  -1.075   9.723
  872    H    GLU 110           H        GLU 110  24.125   0.189  12.678
  873    HA   GLU 110           HA       GLU 110  26.728   1.420  13.225
  874    HB2  GLU 110           2HB      GLU 110  23.922   2.507  13.703
  875    HB3  GLU 110           3HB      GLU 110  25.425   3.404  13.902
  876    HG2  GLU 110           2HG      GLU 110  25.936   3.120  11.492
  877    HG3  GLU 110           3HG      GLU 110  24.422   2.240  11.265
  878    H    VAL 111           H        VAL 111  27.425   2.170  15.225
  879    HA   VAL 111           HA       VAL 111  28.091   1.858  17.321
  880    HB   VAL 111           HB       VAL 111  26.273   3.521  17.368
  881   HG11  VAL 111          1HG1      VAL 111  24.278   3.130  18.736
  882   HG12  VAL 111          2HG1      VAL 111  24.254   2.190  17.245
  883   HG13  VAL 111          3HG1      VAL 111  24.634   1.394  18.786
  884   HG21  VAL 111          3HG2      VAL 111  27.929   3.268  19.171
  885   HG22  VAL 111          1HG2      VAL 111  26.370   3.901  19.718
  886   HG23  VAL 111          2HG2      VAL 111  26.795   2.215  20.048
  887    H    ASP 112           H        ASP 112  27.656  -0.644  16.076
  888    HA   ASP 112           HA       ASP 112  26.704  -2.574  18.024
  889    HB2  ASP 112           2HB      ASP 112  26.587  -2.975  15.614
  890    HB3  ASP 112           3HB      ASP 112  28.341  -2.901  15.487
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  -7.083  -1.074  24.319
    2    H2   GLY   1           H2       GLY   1  -7.297  -1.068  22.693
    3    H3   GLY   1           H3       GLY   1  -8.283  -0.178  23.652
    4    HA2  GLY   1           2HA      GLY   1  -6.468   1.254  24.311
    5    HA3  GLY   1           3HA      GLY   1  -5.389   0.280  23.294
    6    H    SER   2           H        SER   2  -6.165   3.186  23.184
    7    HA   SER   2           HA       SER   2  -7.871   3.655  20.937
    8    HB2  SER   2           2HB      SER   2  -5.710   5.439  22.114
    9    HB3  SER   2           3HB      SER   2  -7.024   5.948  21.036
   10    HG   SER   2           HG       SER   2  -7.520   6.317  23.256
   11    H    LYS   3           H        LYS   3  -7.478   4.151  18.818
   12    HA   LYS   3           HA       LYS   3  -5.036   3.105  17.567
   13    HB2  LYS   3           2HB      LYS   3  -7.237   2.615  16.643
   14    HB3  LYS   3           3HB      LYS   3  -7.570   4.337  16.416
   15    HG2  LYS   3           2HG      LYS   3  -5.819   4.514  14.728
   16    HG3  LYS   3           3HG      LYS   3  -5.293   2.845  15.034
   17    HD2  LYS   3           2HD      LYS   3  -7.451   1.980  14.272
   18    HD3  LYS   3           3HD      LYS   3  -8.084   3.611  14.046
   19    HE2  LYS   3           2HE      LYS   3  -5.673   2.490  12.542
   20    HE3  LYS   3           3HE      LYS   3  -7.336   2.388  11.955
   21    HZ1  LYS   3           3HZ      LYS   3  -6.316   4.310  10.995
   22    HZ2  LYS   3           1HZ      LYS   3  -7.413   4.860  12.070
   23    HZ3  LYS   3           2HZ      LYS   3  -5.808   4.904  12.420
   24    H    ALA   4           H        ALA   4  -3.428   4.200  16.626
   25    HA   ALA   4           HA       ALA   4  -3.577   7.062  16.031
   26    HB1  ALA   4           1HB      ALA   4  -2.857   7.066  18.402
   27    HB2  ALA   4           2HB      ALA   4  -1.524   5.955  18.006
   28    HB3  ALA   4           3HB      ALA   4  -1.543   7.602  17.338
   29    H    GLU   5           H        GLU   5  -1.927   7.758  14.597
   30    HA   GLU   5           HA       GLU   5   0.054   5.867  13.553
   31    HB2  GLU   5           2HB      GLU   5  -0.723   5.985  11.251
   32    HB3  GLU   5           3HB      GLU   5  -1.878   5.164  12.275
   33    HG2  GLU   5           2HG      GLU   5  -2.154   8.063  11.354
   34    HG3  GLU   5           3HG      GLU   5  -2.870   6.680  10.541
   35    H    LYS   6           H        LYS   6   1.576   6.803  12.104
   36    HA   LYS   6           HA       LYS   6   2.087   9.681  12.643
   37    HB2  LYS   6           2HB      LYS   6   3.836   7.451  11.522
   38    HB3  LYS   6           3HB      LYS   6   4.395   9.083  11.842
   39    HG2  LYS   6           2HG      LYS   6   3.317   7.176  13.967
   40    HG3  LYS   6           3HG      LYS   6   5.013   7.407  13.598
   41    HD2  LYS   6           2HD      LYS   6   3.138   9.583  14.628
   42    HD3  LYS   6           3HD      LYS   6   4.247   8.657  15.620
   43    HE2  LYS   6           2HE      LYS   6   5.096  10.485  13.324
   44    HE3  LYS   6           3HE      LYS   6   5.073  10.943  15.026
   45    HZ1  LYS   6           3HZ      LYS   6   6.751   8.778  13.879
   46    HZ2  LYS   6           1HZ      LYS   6   7.296  10.230  14.383
   47    HZ3  LYS   6           2HZ      LYS   6   6.691   9.176  15.468
   48    H    THR   7           H        THR   7   0.563   8.110  10.242
   49    HA   THR   7           HA       THR   7   1.619   8.321   7.820
   50    HB   THR   7           HB       THR   7  -1.236   9.128   8.397
   51    HG1  THR   7           1HG      THR   7  -0.089   6.530   8.381
   52   HG21  THR   7          1HG2      THR   7  -0.632   7.103   6.277
   53   HG22  THR   7          2HG2      THR   7  -1.877   8.378   6.360
   54   HG23  THR   7          3HG2      THR   7  -0.245   8.747   5.888
   55    H    LEU   8           H        LEU   8   1.789   9.634   6.054
   56    HA   LEU   8           HA       LEU   8   1.791  12.521   6.429
   57    HB2  LEU   8           2HB      LEU   8   2.727  12.732   4.378
   58    HB3  LEU   8           3HB      LEU   8   3.285  11.134   4.834
   59    HG   LEU   8           HG       LEU   8   0.978  11.776   2.920
   60   HD11  LEU   8          1HD1      LEU   8   3.715  10.615   2.333
   61   HD12  LEU   8          2HD1      LEU   8   2.432  10.976   1.167
   62   HD13  LEU   8          3HD1      LEU   8   3.233  12.298   2.031
   63   HD21  LEU   8          3HD2      LEU   8   2.217   9.113   3.703
   64   HD22  LEU   8          1HD2      LEU   8   0.548   9.612   4.000
   65   HD23  LEU   8          2HD2      LEU   8   1.096   9.349   2.353
   66    H    GLY   9           H        GLY   9  -0.823  10.438   5.702
   67    HA2  GLY   9           2HA      GLY   9  -3.071  11.037   5.564
   68    HA3  GLY   9           3HA      GLY   9  -2.635  12.705   5.217
   69    H    ASP  10           H        ASP  10  -1.329  10.009   3.270
   70    HA   ASP  10           HA       ASP  10  -3.110  10.776   1.007
   71    HB2  ASP  10           2HB      ASP  10  -0.823  11.973   1.110
   72    HB3  ASP  10           3HB      ASP  10  -0.135  10.377   0.744
   73    H    PHE  11           H        PHE  11  -1.441   8.162   2.662
   74    HA   PHE  11           HA       PHE  11  -2.695   6.256   0.849
   75    HB2  PHE  11           2HB      PHE  11  -0.406   5.026   0.617
   76    HB3  PHE  11           3HB      PHE  11  -0.899   6.265  -0.473
   77    HD1  PHE  11           HD1      PHE  11   1.165   6.056   2.719
   78    HD2  PHE  11           HD2      PHE  11   0.606   7.817  -1.181
   79    HE1  PHE  11           HE1      PHE  11   3.435   7.025   2.826
   80    HE2  PHE  11           HE2      PHE  11   2.843   8.867  -1.018
   81    HZ   PHE  11           HZ       PHE  11   4.271   8.447   0.972
   82    H    ALA  12           H        ALA  12  -2.649   4.064   1.536
   83    HA   ALA  12           HA       ALA  12  -2.529   3.726   4.496
   84    HB1  ALA  12           1HB      ALA  12  -4.837   2.912   4.456
   85    HB2  ALA  12           2HB      ALA  12  -4.774   4.551   3.768
   86    HB3  ALA  12           3HB      ALA  12  -4.916   3.146   2.700
   87    H    ALA  13           H        ALA  13  -2.676   1.560   5.250
   88    HA   ALA  13           HA       ALA  13  -2.151  -0.650   3.338
   89    HB1  ALA  13           1HB      ALA  13  -0.590  -0.014   5.884
   90    HB2  ALA  13           2HB      ALA  13  -0.270  -1.330   4.721
   91    HB3  ALA  13           3HB      ALA  13  -0.042   0.366   4.243
   92    H    GLU  14           H        GLU  14  -3.170  -2.531   3.856
   93    HA   GLU  14           HA       GLU  14  -4.170  -3.071   6.612
   94    HB2  GLU  14           2HB      GLU  14  -5.922  -3.224   4.116
   95    HB3  GLU  14           3HB      GLU  14  -6.365  -3.739   5.744
   96    HG2  GLU  14           2HG      GLU  14  -6.137  -1.351   6.504
   97    HG3  GLU  14           3HG      GLU  14  -5.962  -0.888   4.798
   98    H    TYR  15           H        TYR  15  -4.659  -5.409   6.943
   99    HA   TYR  15           HA       TYR  15  -3.928  -7.303   4.807
  100    HB2  TYR  15           2HB      TYR  15  -5.563  -7.586   7.351
  101    HB3  TYR  15           3HB      TYR  15  -5.305  -8.881   6.189
  102    HD1  TYR  15           HD1      TYR  15  -2.227  -7.176   6.143
  103    HD2  TYR  15           HD2      TYR  15  -4.636  -9.712   8.683
  104    HE1  TYR  15           HE1      TYR  15  -0.209  -7.915   7.310
  105    HE2  TYR  15           HE2      TYR  15  -2.565 -10.502   9.820
  106    HH   TYR  15           HH       TYR  15   0.691  -9.501   8.693
  107    H    ALA  16           H        ALA  16  -5.103  -7.857   3.134
  108    HA   ALA  16           HA       ALA  16  -7.484  -6.554   2.326
  109    HB1  ALA  16           1HB      ALA  16  -6.255  -9.182   1.498
  110    HB2  ALA  16           2HB      ALA  16  -7.490  -8.301   0.564
  111    HB3  ALA  16           3HB      ALA  16  -5.872  -7.598   0.805
  112    H    LYS  17           H        LYS  17  -9.314  -6.654   3.497
  113    HA   LYS  17           HA       LYS  17 -10.095  -8.961   5.059
  114    HB2  LYS  17           2HB      LYS  17 -11.889  -7.552   5.859
  115    HB3  LYS  17           3HB      LYS  17 -10.365  -6.678   5.826
  116    HG2  LYS  17           2HG      LYS  17 -11.175  -5.722   3.523
  117    HG3  LYS  17           3HG      LYS  17 -12.747  -6.399   3.949
  118    HD2  LYS  17           2HD      LYS  17 -12.750  -4.086   4.562
  119    HD3  LYS  17           3HD      LYS  17 -12.691  -5.011   6.071
  120    HE2  LYS  17           2HE      LYS  17 -10.259  -4.611   6.252
  121    HE3  LYS  17           3HE      LYS  17 -10.240  -3.845   4.665
  122    HZ1  LYS  17           3HZ      LYS  17 -11.704  -2.101   5.597
  123    HZ2  LYS  17           1HZ      LYS  17 -11.576  -2.775   7.086
  124    HZ3  LYS  17           2HZ      LYS  17 -10.248  -2.166   6.328
  125    H    SER  18           H        SER  18 -10.802  -8.105   1.831
  126    HA   SER  18           HA       SER  18 -12.335 -10.570   1.497
  127    HB2  SER  18           2HB      SER  18 -14.054  -8.732   1.938
  128    HB3  SER  18           3HB      SER  18 -13.540  -8.008   0.395
  129    HG   SER  18           HG       SER  18 -15.352  -9.553   0.316
  130    H    ASN  19           H        ASN  19 -12.485 -11.176  -0.789
  131    HA   ASN  19           HA       ASN  19 -10.036 -10.468  -2.219
  132    HB2  ASN  19           2HB      ASN  19 -10.919 -12.819  -1.788
  133    HB3  ASN  19           3HB      ASN  19 -12.195 -12.493  -2.955
  134   HD21  ASN  19          2HD2      ASN  19  -8.781 -11.384  -3.413
  135   HD22  ASN  19          1HD2      ASN  19  -8.340 -12.725  -4.449
  136    H    ARG  20           H        ARG  20 -12.115  -8.425  -2.091
  137    HA   ARG  20           HA       ARG  20 -13.178  -8.209  -4.872
  138    HB2  ARG  20           2HB      ARG  20 -14.007  -6.795  -2.309
  139    HB3  ARG  20           3HB      ARG  20 -14.775  -6.591  -3.880
  140    HG2  ARG  20           2HG      ARG  20 -14.689  -9.190  -2.289
  141    HG3  ARG  20           3HG      ARG  20 -16.058  -8.082  -2.405
  142    HD2  ARG  20           2HD      ARG  20 -16.158  -8.486  -4.860
  143    HD3  ARG  20           3HD      ARG  20 -14.825  -9.653  -4.706
  144    HE   ARG  20           HE       ARG  20 -16.842 -10.412  -2.871
  145   HH11  ARG  20          1HH2      ARG  20 -16.467 -10.309  -6.354
  146   HH12  ARG  20          2HH2      ARG  20 -17.592 -11.617  -6.604
  147   HH21  ARG  20          1HH1      ARG  20 -18.267 -12.071  -3.261
  148   HH22  ARG  20          2HH1      ARG  20 -18.580 -12.584  -4.893
  149    H    SER  21           H        SER  21 -10.826  -6.652  -2.834
  150    HA   SER  21           HA       SER  21 -10.642  -4.226  -4.446
  151    HB2  SER  21           2HB      SER  21  -8.298  -4.138  -3.352
  152    HB3  SER  21           3HB      SER  21  -9.736  -3.895  -2.362
  153    HG   SER  21           HG       SER  21  -8.411  -6.409  -2.617
  154    H    THR  22           H        THR  22  -9.036  -3.732  -6.002
  155    HA   THR  22           HA       THR  22  -7.638  -6.032  -7.298
  156    HB   THR  22           HB       THR  22  -9.195  -3.874  -8.736
  157    HG1  THR  22           1HG      THR  22 -10.564  -5.439  -7.880
  158   HG21  THR  22          1HG2      THR  22  -7.789  -6.310  -9.887
  159   HG22  THR  22          2HG2      THR  22  -8.781  -5.153 -10.785
  160   HG23  THR  22          3HG2      THR  22  -7.252  -4.622 -10.081
  161    H    CYS  23           HN       CYS  23  -5.612  -5.594  -8.003
  162    HA   CYS  23           HA       CYS  23  -4.388  -3.171  -7.006
  163    HB2  CYS  23           2HB      CYS  23  -3.251  -5.242  -6.737
  164    HB3  CYS  23           3HB      CYS  23  -3.510  -5.667  -8.430
  165    H    LYS  24           H        LYS  24  -4.536  -1.324  -8.139
  166    HA   LYS  24           HA       LYS  24  -4.828  -1.219 -11.055
  167    HB2  LYS  24           2HB      LYS  24  -4.609   0.772  -8.788
  168    HB3  LYS  24           3HB      LYS  24  -4.394   1.313 -10.455
  169    HG2  LYS  24           2HG      LYS  24  -6.692   1.612  -9.847
  170    HG3  LYS  24           3HG      LYS  24  -6.572   0.398 -11.102
  171    HD2  LYS  24           2HD      LYS  24  -7.047  -1.383  -9.499
  172    HD3  LYS  24           3HD      LYS  24  -6.853  -0.262  -8.144
  173    HE2  LYS  24           2HE      LYS  24  -9.187  -0.648  -8.426
  174    HE3  LYS  24           3HE      LYS  24  -8.851   1.011  -8.922
  175    HZ1  LYS  24           3HZ      LYS  24  -8.945   0.262 -11.248
  176    HZ2  LYS  24           1HZ      LYS  24  -9.225  -1.287 -10.782
  177    HZ3  LYS  24           2HZ      LYS  24 -10.330  -0.131 -10.484
  178    H    GLY  25           H        GLY  25  -2.171  -1.756  -9.085
  179    HA2  GLY  25           2HA      GLY  25  -0.111  -0.452 -10.696
  180    HA3  GLY  25           3HA      GLY  25   0.123  -1.661  -9.434
  181    H    CYS  26           HN       CYS  26  -1.621  -3.647 -10.768
  182    HA   CYS  26           HA       CYS  26  -0.237  -4.136 -13.346
  183    HB2  CYS  26           2HB      CYS  26   0.334  -6.399 -12.854
  184    HB3  CYS  26           3HB      CYS  26   1.059  -5.347 -11.634
  185    H    MET  27           H        MET  27  -3.189  -4.053 -11.812
  186    HA   MET  27           HA       MET  27  -5.256  -4.543 -12.327
  187    HB2  MET  27           2HB      MET  27  -4.530  -3.462 -14.494
  188    HB3  MET  27           3HB      MET  27  -4.473  -5.072 -15.197
  189    HG2  MET  27           2HG      MET  27  -6.588  -3.832 -15.622
  190    HG3  MET  27           3HG      MET  27  -6.832  -5.392 -14.854
  191    HE1  MET  27           3HE      MET  27  -6.528  -1.490 -14.095
  192    HE2  MET  27           1HE      MET  27  -7.115  -1.447 -12.416
  193    HE3  MET  27           2HE      MET  27  -5.585  -2.258 -12.793
  194    H    GLU  28           H        GLU  28  -4.419  -6.386 -10.859
  195    HA   GLU  28           HA       GLU  28  -6.239  -8.451 -11.726
  196    HB2  GLU  28           2HB      GLU  28  -5.046 -10.390 -11.396
  197    HB3  GLU  28           3HB      GLU  28  -4.001  -9.398 -12.408
  198    HG2  GLU  28           2HG      GLU  28  -2.622  -8.852 -10.417
  199    HG3  GLU  28           3HG      GLU  28  -3.696  -9.818  -9.406
  200    H    LYS  29           H        LYS  29  -6.866  -9.909  -9.879
  201    HA   LYS  29           HA       LYS  29  -7.712  -7.973  -7.913
  202    HB2  LYS  29           2HB      LYS  29  -9.366  -9.615  -7.201
  203    HB3  LYS  29           3HB      LYS  29  -9.378  -9.252  -8.912
  204    HG2  LYS  29           2HG      LYS  29  -9.688 -11.485  -9.039
  205    HG3  LYS  29           3HG      LYS  29  -7.930 -11.469  -9.144
  206    HD2  LYS  29           2HD      LYS  29  -7.816 -11.986  -6.695
  207    HD3  LYS  29           3HD      LYS  29  -9.593 -11.970  -6.636
  208    HE2  LYS  29           2HE      LYS  29  -9.654 -13.815  -8.305
  209    HE3  LYS  29           3HE      LYS  29  -7.885 -13.835  -8.346
  210    HZ1  LYS  29           3HZ      LYS  29  -9.540 -14.404  -5.942
  211    HZ2  LYS  29           1HZ      LYS  29  -8.737 -15.531  -6.832
  212    HZ3  LYS  29           2HZ      LYS  29  -7.905 -14.401  -5.975
  213    H    ILE  30           H        ILE  30  -7.391  -7.771  -5.843
  214    HA   ILE  30           HA       ILE  30  -4.937  -8.915  -4.781
  215    HB   ILE  30           HB       ILE  30  -6.913  -6.827  -3.884
  216   HG12  ILE  30          2HG1      ILE  30  -3.929  -6.613  -4.462
  217   HG13  ILE  30          3HG1      ILE  30  -5.140  -6.480  -5.729
  218   HG21  ILE  30          1HG2      ILE  30  -4.445  -7.611  -2.295
  219   HG22  ILE  30          2HG2      ILE  30  -5.591  -6.284  -1.967
  220   HG23  ILE  30          3HG2      ILE  30  -6.124  -7.943  -1.797
  221   HD11  ILE  30          3HD1      ILE  30  -6.158  -4.543  -4.595
  222   HD12  ILE  30          1HD1      ILE  30  -4.888  -4.614  -3.343
  223   HD13  ILE  30          2HD1      ILE  30  -4.463  -4.282  -5.028
  224    H    GLU  31           H        GLU  31  -4.646 -10.502  -3.383
  225    HA   GLU  31           HA       GLU  31  -6.821 -12.295  -2.814
  226    HB2  GLU  31           2HB      GLU  31  -3.892 -12.395  -2.090
  227    HB3  GLU  31           3HB      GLU  31  -5.042 -13.699  -1.782
  228    HG2  GLU  31           2HG      GLU  31  -4.361 -12.589  -4.539
  229    HG3  GLU  31           3HG      GLU  31  -3.651 -14.018  -3.807
  230    H    LYS  32           H        LYS  32  -7.809 -12.851  -1.030
  231    HA   LYS  32           HA       LYS  32  -7.959 -11.012   1.194
  232    HB2  LYS  32           2HB      LYS  32  -9.820 -12.350   0.204
  233    HB3  LYS  32           3HB      LYS  32  -9.154 -13.811   0.914
  234    HG2  LYS  32           2HG      LYS  32  -9.888 -11.398   2.618
  235    HG3  LYS  32           3HG      LYS  32 -11.121 -12.509   2.034
  236    HD2  LYS  32           2HD      LYS  32 -10.048 -14.402   3.170
  237    HD3  LYS  32           3HD      LYS  32  -8.791 -13.329   3.814
  238    HE2  LYS  32           2HE      LYS  32 -10.516 -11.968   4.957
  239    HE3  LYS  32           3HE      LYS  32 -11.784 -13.010   4.302
  240    HZ1  LYS  32           3HZ      LYS  32 -11.203 -13.654   6.567
  241    HZ2  LYS  32           1HZ      LYS  32 -10.815 -14.868   5.551
  242    HZ3  LYS  32           2HZ      LYS  32  -9.642 -13.907   6.163
  243    H    GLY  33           H        GLY  33  -7.143 -11.116   3.219
  244    HA2  GLY  33           2HA      GLY  33  -6.068 -11.927   5.100
  245    HA3  GLY  33           3HA      GLY  33  -5.895 -13.506   4.336
  246    H    GLN  34           H        GLN  34  -4.591 -11.004   2.394
  247    HA   GLN  34           HA       GLN  34  -1.930 -11.050   3.698
  248    HB2  GLN  34           2HB      GLN  34  -0.759 -11.276   1.594
  249    HB3  GLN  34           3HB      GLN  34  -1.754 -12.672   1.952
  250    HG2  GLN  34           2HG      GLN  34  -1.967 -12.342  -0.371
  251    HG3  GLN  34           3HG      GLN  34  -3.479 -11.794   0.309
  252   HE21  GLN  34          1HE2      GLN  34  -4.092  -9.583  -0.145
  253   HE22  GLN  34          2HE2      GLN  34  -2.910  -8.405  -0.742
  254    H    VAL  35           H        VAL  35  -0.510  -9.197   2.767
  255    HA   VAL  35           HA       VAL  35  -1.919  -6.836   3.543
  256    HB   VAL  35           HB       VAL  35   0.855  -7.079   2.334
  257   HG11  VAL  35          1HG1      VAL  35  -0.436  -4.805   3.918
  258   HG12  VAL  35          2HG1      VAL  35   1.292  -4.929   3.541
  259   HG13  VAL  35          3HG1      VAL  35   0.132  -4.729   2.234
  260   HG21  VAL  35          3HG2      VAL  35   1.658  -6.979   4.641
  261   HG22  VAL  35          1HG2      VAL  35  -0.007  -6.907   5.245
  262   HG23  VAL  35          2HG2      VAL  35   0.601  -8.376   4.451
  263    H    ARG  36           H        ARG  36  -2.670  -5.082   2.484
  264    HA   ARG  36           HA       ARG  36  -2.200  -4.732  -0.420
  265    HB2  ARG  36           2HB      ARG  36  -4.489  -4.193  -0.883
  266    HB3  ARG  36           3HB      ARG  36  -4.373  -5.829  -0.218
  267    HG2  ARG  36           2HG      ARG  36  -5.273  -5.117   1.918
  268    HG3  ARG  36           3HG      ARG  36  -5.187  -3.421   1.450
  269    HD2  ARG  36           2HD      ARG  36  -6.804  -3.929  -0.438
  270    HD3  ARG  36           3HD      ARG  36  -7.025  -5.531   0.270
  271    HE   ARG  36           HE       ARG  36  -7.400  -3.330   2.174
  272   HH11  ARG  36          1HH2      ARG  36  -9.176  -5.058  -0.339
  273   HH12  ARG  36          2HH2      ARG  36 -10.702  -4.559   0.338
  274   HH21  ARG  36          1HH1      ARG  36  -9.306  -2.720   2.898
  275   HH22  ARG  36          2HH1      ARG  36 -10.781  -3.180   2.058
  276    H    LEU  37           H        LEU  37  -2.017  -2.601  -1.086
  277    HA   LEU  37           HA       LEU  37  -2.173  -0.507   1.033
  278    HB2  LEU  37           2HB      LEU  37  -0.302  -0.425  -1.351
  279    HB3  LEU  37           3HB      LEU  37  -0.387   0.645   0.071
  280    HG   LEU  37           HG       LEU  37   1.559  -0.494   0.282
  281   HD11  LEU  37          1HD1      LEU  37  -0.272  -2.009   2.143
  282   HD12  LEU  37          2HD1      LEU  37   1.397  -1.457   2.405
  283   HD13  LEU  37          3HD1      LEU  37   0.088  -0.272   2.247
  284   HD21  LEU  37          3HD2      LEU  37   0.208  -3.221   0.086
  285   HD22  LEU  37          1HD2      LEU  37   1.119  -2.436  -1.223
  286   HD23  LEU  37          2HD2      LEU  37   1.921  -2.853   0.311
  287    H    SER  38           H        SER  38  -2.777   1.639   0.332
  288    HA   SER  38           HA       SER  38  -3.676   1.917  -2.445
  289    HB2  SER  38           2HB      SER  38  -5.847   2.924  -1.804
  290    HB3  SER  38           3HB      SER  38  -5.725   1.226  -1.349
  291    HG   SER  38           HG       SER  38  -6.523   2.269   0.417
  292    H    LYS  39           H        LYS  39  -4.023   4.065  -3.163
  293    HA   LYS  39           HA       LYS  39  -2.921   6.240  -1.413
  294    HB2  LYS  39           2HB      LYS  39  -1.297   6.052  -3.103
  295    HB3  LYS  39           3HB      LYS  39  -2.500   5.788  -4.377
  296    HG2  LYS  39           2HG      LYS  39  -3.198   8.040  -4.393
  297    HG3  LYS  39           3HG      LYS  39  -2.419   8.395  -2.836
  298    HD2  LYS  39           2HD      LYS  39  -0.251   8.404  -3.777
  299    HD3  LYS  39           3HD      LYS  39  -0.820   7.705  -5.304
  300    HE2  LYS  39           2HE      LYS  39  -0.354  10.123  -5.490
  301    HE3  LYS  39           3HE      LYS  39  -2.017   9.705  -5.898
  302    HZ1  LYS  39           3HZ      LYS  39  -1.818  11.697  -4.443
  303    HZ2  LYS  39           1HZ      LYS  39  -2.716  10.535  -3.714
  304    HZ3  LYS  39           2HZ      LYS  39  -1.175  10.776  -3.255
  305    H    LYS  40           H        LYS  40  -4.052   8.095  -1.218
  306    HA   LYS  40           HA       LYS  40  -6.799   8.188  -2.342
  307    HB2  LYS  40           2HB      LYS  40  -6.662   8.669  -0.058
  308    HB3  LYS  40           3HB      LYS  40  -5.350   9.806  -0.252
  309    HG2  LYS  40           2HG      LYS  40  -8.056  10.293  -1.591
  310    HG3  LYS  40           3HG      LYS  40  -7.856  10.591   0.125
  311    HD2  LYS  40           2HD      LYS  40  -6.462  12.019  -2.150
  312    HD3  LYS  40           3HD      LYS  40  -7.581  12.680  -0.974
  313    HE2  LYS  40           2HE      LYS  40  -4.732  11.740  -0.426
  314    HE3  LYS  40           3HE      LYS  40  -5.253  13.408  -0.589
  315    HZ1  LYS  40           3HZ      LYS  40  -5.055  12.654   1.758
  316    HZ2  LYS  40           1HZ      LYS  40  -6.558  13.210   1.407
  317    HZ3  LYS  40           2HZ      LYS  40  -6.278  11.604   1.539
  318    H    MET  41           H        MET  41  -7.113   9.012  -4.272
  319    HA   MET  41           HA       MET  41  -6.081  11.611  -5.063
  320    HB2  MET  41           2HB      MET  41  -4.945  10.904  -7.128
  321    HB3  MET  41           3HB      MET  41  -4.102  10.352  -5.693
  322    HG2  MET  41           2HG      MET  41  -5.165   8.090  -5.984
  323    HG3  MET  41           3HG      MET  41  -5.881   8.671  -7.493
  324    HE1  MET  41           3HE      MET  41  -4.920   6.730  -8.815
  325    HE2  MET  41           1HE      MET  41  -3.220   6.194  -8.764
  326    HE3  MET  41           2HE      MET  41  -4.236   6.073  -7.306
  327    H    VAL  42           H        VAL  42  -7.339  12.555  -6.752
  328    HA   VAL  42           HA       VAL  42  -9.719  11.456  -7.659
  329    HB   VAL  42           HB       VAL  42  -7.836  13.301  -9.188
  330   HG11  VAL  42          1HG1      VAL  42 -10.804  12.735  -9.610
  331   HG12  VAL  42          2HG1      VAL  42  -9.900  14.059 -10.377
  332   HG13  VAL  42          3HG1      VAL  42  -9.476  12.391 -10.750
  333   HG21  VAL  42          3HG2      VAL  42 -10.209  13.937  -7.379
  334   HG22  VAL  42          1HG2      VAL  42  -8.498  14.275  -7.029
  335   HG23  VAL  42          2HG2      VAL  42  -9.305  15.115  -8.350
  336    H    ASP  43           H        ASP  43 -10.304   9.895  -9.074
  337    HA   ASP  43           HA       ASP  43  -8.346   8.049 -10.018
  338    HB2  ASP  43           2HB      ASP  43 -10.743   7.543  -9.412
  339    HB3  ASP  43           3HB      ASP  43 -11.235   8.291 -10.918
  340    HA   PRO  44           HA       PRO  44  -7.324  10.374 -13.664
  341    HB2  PRO  44           2HB      PRO  44  -5.506   8.674 -14.858
  342    HB3  PRO  44           3HB      PRO  44  -5.162   9.571 -13.348
  343    HG2  PRO  44           2HG      PRO  44  -6.170   6.711 -13.614
  344    HG3  PRO  44           3HG      PRO  44  -4.778   7.305 -12.645
  345    HD2  PRO  44           2HD      PRO  44  -7.202   6.898 -11.534
  346    HD3  PRO  44           3HD      PRO  44  -6.199   8.302 -11.053
  347    H    GLU  45           H        GLU  45  -8.986   7.350 -13.804
  348    HA   GLU  45           HA       GLU  45  -9.537   7.582 -16.742
  349    HB2  GLU  45           2HB      GLU  45  -9.973   5.321 -14.757
  350    HB3  GLU  45           3HB      GLU  45 -10.404   5.264 -16.463
  351    HG2  GLU  45           2HG      GLU  45  -8.134   5.284 -17.172
  352    HG3  GLU  45           3HG      GLU  45  -7.533   5.807 -15.602
  353    H    LYS  46           H        LYS  46 -10.820   8.346 -13.710
  354    HA   LYS  46           HA       LYS  46 -13.596   8.789 -14.682
  355    HB2  LYS  46           2HB      LYS  46 -12.841   7.180 -12.224
  356    HB3  LYS  46           3HB      LYS  46 -14.481   7.701 -12.622
  357    HG2  LYS  46           2HG      LYS  46 -14.535   6.283 -14.583
  358    HG3  LYS  46           3HG      LYS  46 -12.861   5.765 -14.325
  359    HD2  LYS  46           2HD      LYS  46 -15.118   5.413 -12.320
  360    HD3  LYS  46           3HD      LYS  46 -14.588   4.152 -13.448
  361    HE2  LYS  46           2HE      LYS  46 -13.042   5.356 -11.118
  362    HE3  LYS  46           3HE      LYS  46 -13.630   3.701 -11.279
  363    HZ1  LYS  46           3HZ      LYS  46 -11.300   3.760 -11.726
  364    HZ2  LYS  46           1HZ      LYS  46 -12.016   3.487 -13.181
  365    HZ3  LYS  46           2HZ      LYS  46 -11.402   4.978 -12.775
  366    HA   PRO  47           HA       PRO  47 -11.568  11.980 -11.805
  367    HB2  PRO  47           2HB      PRO  47 -11.885  14.227 -13.395
  368    HB3  PRO  47           3HB      PRO  47 -10.459  13.143 -13.418
  369    HG2  PRO  47           2HG      PRO  47 -12.880  13.061 -15.251
  370    HG3  PRO  47           3HG      PRO  47 -11.140  13.022 -15.702
  371    HD2  PRO  47           2HD      PRO  47 -12.561  10.749 -15.542
  372    HD3  PRO  47           3HD      PRO  47 -10.888  10.813 -14.910
  373    H    GLN  48           H        GLN  48 -14.625  11.645 -13.393
  374    HA   GLN  48           HA       GLN  48 -16.202  13.650 -12.121
  375    HB2  GLN  48           2HB      GLN  48 -17.009  10.847 -13.035
  376    HB3  GLN  48           3HB      GLN  48 -18.084  12.186 -12.670
  377    HG2  GLN  48           2HG      GLN  48 -18.023  12.224 -14.977
  378    HG3  GLN  48           3HG      GLN  48 -16.902  13.505 -14.538
  379   HE21  GLN  48          2HE2      GLN  48 -16.460  12.903 -17.010
  380   HE22  GLN  48          1HE2      GLN  48 -15.177  11.721 -17.235
  381    H    LEU  49           H        LEU  49 -14.996  10.500 -10.871
  382    HA   LEU  49           HA       LEU  49 -16.660  10.303  -8.552
  383    HB2  LEU  49           2HB      LEU  49 -13.776   9.555  -9.204
  384    HB3  LEU  49           3HB      LEU  49 -14.489   9.154  -7.660
  385    HG   LEU  49           HG       LEU  49 -15.699   8.193 -10.282
  386   HD11  LEU  49          1HD1      LEU  49 -13.716   6.904  -8.368
  387   HD12  LEU  49          2HD1      LEU  49 -14.546   6.059  -9.700
  388   HD13  LEU  49          3HD1      LEU  49 -13.403   7.391 -10.032
  389   HD21  LEU  49          3HD2      LEU  49 -16.000   7.365  -7.352
  390   HD22  LEU  49          1HD2      LEU  49 -17.234   8.176  -8.337
  391   HD23  LEU  49          2HD2      LEU  49 -16.742   6.524  -8.736
  392    H    GLY  50           H        GLY  50 -13.948  12.478  -9.186
  393    HA2  GLY  50           2HA      GLY  50 -12.594  13.737  -7.774
  394    HA3  GLY  50           3HA      GLY  50 -13.703  13.448  -6.431
  395    H    MET  51           H        MET  51 -12.057  12.863  -5.042
  396    HA   MET  51           HA       MET  51  -9.910  11.142  -5.599
  397    HB2  MET  51           2HB      MET  51 -10.725  11.922  -2.809
  398    HB3  MET  51           3HB      MET  51  -9.120  11.653  -3.483
  399    HG2  MET  51           2HG      MET  51  -9.743  13.743  -5.007
  400    HG3  MET  51           3HG      MET  51 -10.962  14.035  -3.770
  401    HE1  MET  51           3HE      MET  51  -7.418  14.713  -4.942
  402    HE2  MET  51           1HE      MET  51  -6.409  14.411  -3.506
  403    HE3  MET  51           2HE      MET  51  -7.310  13.075  -4.277
  404    H    ILE  52           H        ILE  52  -9.585   9.036  -5.288
  405    HA   ILE  52           HA       ILE  52 -11.417   7.516  -3.533
  406    HB   ILE  52           HB       ILE  52 -11.144   5.566  -5.176
  407   HG12  ILE  52          2HG1      ILE  52 -11.098   6.193  -7.577
  408   HG13  ILE  52          3HG1      ILE  52 -10.540   7.813  -7.158
  409   HG21  ILE  52          1HG2      ILE  52 -13.214   6.878  -4.741
  410   HG22  ILE  52          2HG2      ILE  52 -12.785   7.924  -6.130
  411   HG23  ILE  52          3HG2      ILE  52 -13.099   6.181  -6.364
  412   HD11  ILE  52          3HD1      ILE  52  -8.758   6.307  -7.967
  413   HD12  ILE  52          1HD1      ILE  52  -8.423   6.873  -6.333
  414   HD13  ILE  52          2HD1      ILE  52  -9.051   5.221  -6.589
  415    H    ASP  53           H        ASP  53 -10.567   5.471  -2.819
  416    HA   ASP  53           HA       ASP  53  -7.678   5.626  -2.142
  417    HB2  ASP  53           2HB      ASP  53  -9.932   3.889  -1.060
  418    HB3  ASP  53           3HB      ASP  53  -8.246   3.785  -0.559
  419    H    ARG  54           H        ARG  54  -6.874   5.075  -4.200
  420    HA   ARG  54           HA       ARG  54  -7.834   2.765  -5.703
  421    HB2  ARG  54           2HB      ARG  54  -6.722   5.038  -6.488
  422    HB3  ARG  54           3HB      ARG  54  -5.212   4.195  -6.237
  423    HG2  ARG  54           2HG      ARG  54  -5.404   2.967  -8.096
  424    HG3  ARG  54           3HG      ARG  54  -7.092   2.573  -7.813
  425    HD2  ARG  54           2HD      ARG  54  -7.910   4.283  -9.084
  426    HD3  ARG  54           3HD      ARG  54  -6.658   5.411  -8.610
  427    HE   ARG  54           HE       ARG  54  -5.077   4.110 -10.113
  428   HH11  ARG  54          1HH2      ARG  54  -8.494   4.474 -11.085
  429   HH12  ARG  54          2HH2      ARG  54  -8.051   3.945 -12.714
  430   HH21  ARG  54          1HH1      ARG  54  -4.791   3.583 -12.302
  431   HH22  ARG  54          2HH1      ARG  54  -6.232   3.543 -13.318
  432    H    TRP  55           H        TRP  55  -7.218   0.665  -5.407
  433    HA   TRP  55           HA       TRP  55  -5.137   0.093  -3.437
  434    HB2  TRP  55           2HB      TRP  55  -7.157  -1.701  -4.793
  435    HB3  TRP  55           3HB      TRP  55  -6.001  -2.229  -3.580
  436    HD1  TRP  55           HD1      TRP  55  -9.322  -0.502  -3.924
  437    HE1  TRP  55           HE1      TRP  55 -10.296   0.061  -1.627
  438    HE3  TRP  55           HE3      TRP  55  -5.253  -1.613  -1.015
  439    HZ2  TRP  55           HZ2      TRP  55  -9.389   0.172   1.108
  440    HZ3  TRP  55           HZ3      TRP  55  -5.289  -1.114   1.422
  441    HH2  TRP  55           HH2      TRP  55  -7.350  -0.240   2.491
  442    H    TYR  56           H        TYR  56  -3.511  -1.384  -3.593
  443    HA   TYR  56           HA       TYR  56  -2.360  -2.300  -6.150
  444    HB2  TYR  56           2HB      TYR  56  -1.010  -0.491  -4.093
  445    HB3  TYR  56           3HB      TYR  56  -0.211  -1.237  -5.468
  446    HD1  TYR  56           HD1      TYR  56  -0.731  -0.526  -7.764
  447    HD2  TYR  56           HD2      TYR  56  -2.380   1.535  -4.383
  448    HE1  TYR  56           HE1      TYR  56  -1.363   1.382  -9.251
  449    HE2  TYR  56           HE2      TYR  56  -3.036   3.431  -5.860
  450    HH   TYR  56           HH       TYR  56  -2.384   3.408  -9.386
  451    H    HIS  57           H        HIS  57  -0.782  -3.940  -5.862
  452    HA   HIS  57           HA       HIS  57  -0.866  -5.592  -3.451
  453    HB2  HIS  57           2HB      HIS  57   0.917  -5.758  -5.880
  454    HB3  HIS  57           3HB      HIS  57   0.999  -6.889  -4.566
  455    HD2  HIS  57           HD2      HIS  57  -1.453  -8.212  -3.972
  456    HE1  HIS  57           HE1      HIS  57  -2.666  -8.258  -8.045
  457    HE2  HIS  57           HE2      HIS  57  -3.027  -9.310  -5.785
  458    HA   PRO  58           HA       PRO  58   2.777  -4.065  -1.216
  459    HB2  PRO  58           2HB      PRO  58   3.634  -6.953  -1.122
  460    HB3  PRO  58           3HB      PRO  58   3.589  -5.741   0.201
  461    HG2  PRO  58           2HG      PRO  58   1.613  -7.563   0.018
  462    HG3  PRO  58           3HG      PRO  58   1.191  -5.835   0.293
  463    HD2  PRO  58           2HD      PRO  58   1.187  -7.370  -2.319
  464    HD3  PRO  58           3HD      PRO  58  -0.082  -6.314  -1.631
  465    H    GLY  59           H        GLY  59   3.392  -6.224  -3.950
  466    HA2  GLY  59           2HA      GLY  59   6.181  -5.301  -4.294
  467    HA3  GLY  59           3HA      GLY  59   5.257  -6.341  -5.387
  468    H    CYS  60           HN       CYS  60   3.025  -4.855  -5.972
  469    HA   CYS  60           HA       CYS  60   4.032  -3.243  -7.997
  470    HB2  CYS  60           2HB      CYS  60   1.186  -3.370  -6.947
  471    HB3  CYS  60           3HB      CYS  60   1.691  -2.878  -8.569
  472    H    PHE  61           H        PHE  61   2.501  -2.206  -4.907
  473    HA   PHE  61           HA       PHE  61   2.373   0.545  -5.639
  474    HB2  PHE  61           2HB      PHE  61   1.542   0.900  -3.617
  475    HB3  PHE  61           3HB      PHE  61   1.431  -0.851  -3.550
  476    HD1  PHE  61           HD1      PHE  61   3.296  -2.141  -2.454
  477    HD2  PHE  61           HD2      PHE  61   3.019   2.123  -2.197
  478    HE1  PHE  61           HE1      PHE  61   4.679  -2.198  -0.364
  479    HE2  PHE  61           HE2      PHE  61   4.402   2.099  -0.106
  480    HZ   PHE  61           HZ       PHE  61   5.213  -0.067   0.816
  481    H    VAL  62           H        VAL  62   5.083  -1.349  -4.312
  482    HA   VAL  62           HA       VAL  62   6.934   0.878  -4.163
  483    HB   VAL  62           HB       VAL  62   7.593  -2.068  -4.488
  484   HG11  VAL  62          1HG1      VAL  62   9.529  -0.621  -4.977
  485   HG12  VAL  62          2HG1      VAL  62   9.255   0.279  -3.466
  486   HG13  VAL  62          3HG1      VAL  62   9.738  -1.429  -3.427
  487   HG21  VAL  62          3HG2      VAL  62   7.169  -0.352  -2.002
  488   HG22  VAL  62          1HG2      VAL  62   6.269  -1.800  -2.490
  489   HG23  VAL  62          2HG2      VAL  62   7.945  -1.952  -1.991
  490    H    LYS  63           H        LYS  63   6.120  -1.437  -6.769
  491    HA   LYS  63           HA       LYS  63   8.100  -0.603  -8.636
  492    HB2  LYS  63           2HB      LYS  63   6.794  -2.679  -8.834
  493    HB3  LYS  63           3HB      LYS  63   5.314  -1.750  -9.068
  494    HG2  LYS  63           2HG      LYS  63   6.182  -0.846 -11.204
  495    HG3  LYS  63           3HG      LYS  63   7.670  -1.771 -10.974
  496    HD2  LYS  63           2HD      LYS  63   6.170  -2.918 -12.526
  497    HD3  LYS  63           3HD      LYS  63   6.417  -3.875 -11.073
  498    HE2  LYS  63           2HE      LYS  63   4.107  -4.009 -11.801
  499    HE3  LYS  63           3HE      LYS  63   4.191  -3.245 -10.219
  500    HZ1  LYS  63           3HZ      LYS  63   3.995  -1.670 -12.732
  501    HZ2  LYS  63           1HZ      LYS  63   2.678  -2.166 -11.909
  502    HZ3  LYS  63           2HZ      LYS  63   3.703  -1.135 -11.197
  503    H    ASN  64           H        ASN  64   4.852   0.770  -8.042
  504    HA   ASN  64           HA       ASN  64   5.474   2.991  -9.922
  505    HB2  ASN  64           2HB      ASN  64   2.825   3.320  -9.521
  506    HB3  ASN  64           3HB      ASN  64   3.577   2.486 -10.857
  507   HD21  ASN  64          1HD2      ASN  64   1.896   1.944  -7.731
  508   HD22  ASN  64          2HD2      ASN  64   1.408   0.325  -8.217
  509    H    ARG  65           H        ARG  65   6.278   2.606  -6.917
  510    HA   ARG  65           HA       ARG  65   5.081   4.501  -5.325
  511    HB2  ARG  65           2HB      ARG  65   7.104   4.526  -4.045
  512    HB3  ARG  65           3HB      ARG  65   6.966   2.936  -4.746
  513    HG2  ARG  65           2HG      ARG  65   8.537   3.728  -6.615
  514    HG3  ARG  65           3HG      ARG  65   8.783   5.208  -5.666
  515    HD2  ARG  65           2HD      ARG  65   9.678   3.961  -3.821
  516    HD3  ARG  65           3HD      ARG  65   9.331   2.413  -4.609
  517    HE   ARG  65           HE       ARG  65  11.582   4.201  -5.098
  518   HH11  ARG  65          1HH2      ARG  65   9.697   1.657  -6.652
  519   HH12  ARG  65          2HH2      ARG  65  11.023   1.232  -7.703
  520   HH21  ARG  65          1HH1      ARG  65  13.189   3.597  -6.490
  521   HH22  ARG  65          2HH1      ARG  65  12.927   2.304  -7.621
  522    H    GLU  66           H        GLU  66   7.383   5.167  -7.897
  523    HA   GLU  66           HA       GLU  66   7.599   7.997  -7.285
  524    HB2  GLU  66           2HB      GLU  66   9.054   8.062  -9.263
  525    HB3  GLU  66           3HB      GLU  66   9.513   6.824  -8.085
  526    HG2  GLU  66           2HG      GLU  66   8.540   5.056  -9.466
  527    HG3  GLU  66           3HG      GLU  66   7.930   6.245 -10.625
  528    H    GLU  67           H        GLU  67   5.453   6.095  -9.238
  529    HA   GLU  67           HA       GLU  67   4.313   8.393 -10.680
  530    HB2  GLU  67           2HB      GLU  67   4.373   6.020 -11.594
  531    HB3  GLU  67           3HB      GLU  67   3.202   5.589 -10.351
  532    HG2  GLU  67           2HG      GLU  67   1.989   5.960 -12.356
  533    HG3  GLU  67           3HG      GLU  67   1.627   7.312 -11.296
  534    H    LEU  68           H        LEU  68   3.572   6.300  -7.855
  535    HA   LEU  68           HA       LEU  68   1.223   7.735  -6.999
  536    HB2  LEU  68           2HB      LEU  68   3.191   5.977  -5.487
  537    HB3  LEU  68           3HB      LEU  68   1.649   6.521  -4.838
  538    HG   LEU  68           HG       LEU  68   1.967   4.733  -7.292
  539   HD11  LEU  68          1HD1      LEU  68   1.097   2.954  -5.814
  540   HD12  LEU  68          2HD1      LEU  68   2.647   3.590  -5.228
  541   HD13  LEU  68          3HD1      LEU  68   1.129   4.075  -4.441
  542   HD21  LEU  68          3HD2      LEU  68  -0.536   5.429  -5.721
  543   HD22  LEU  68          1HD2      LEU  68  -0.136   6.063  -7.340
  544   HD23  LEU  68          2HD2      LEU  68  -0.404   4.342  -7.111
  545    H    GLY  69           H        GLY  69   4.656   8.395  -6.467
  546    HA2  GLY  69           2HA      GLY  69   5.336  10.678  -6.200
  547    HA3  GLY  69           3HA      GLY  69   3.868  11.038  -5.299
  548    H    PHE  70           H        PHE  70   5.625   8.132  -4.440
  549    HA   PHE  70           HA       PHE  70   6.201   8.963  -1.743
  550    HB2  PHE  70           2HB      PHE  70   7.076   6.656  -3.490
  551    HB3  PHE  70           3HB      PHE  70   7.767   6.892  -1.908
  552    HD1  PHE  70           HD1      PHE  70   4.537   6.148  -3.644
  553    HD2  PHE  70           HD2      PHE  70   6.648   6.357   0.093
  554    HE1  PHE  70           HE1      PHE  70   2.738   4.827  -2.555
  555    HE2  PHE  70           HE2      PHE  70   4.876   5.019   1.187
  556    HZ   PHE  70           HZ       PHE  70   2.908   4.250  -0.144
  557    H    ARG  71           H        ARG  71   7.997   9.650  -0.791
  558    HA   ARG  71           HA       ARG  71  10.603   9.833  -2.185
  559    HB2  ARG  71           2HB      ARG  71   9.239  12.029  -0.566
  560    HB3  ARG  71           3HB      ARG  71  10.965  12.018  -0.897
  561    HG2  ARG  71           2HG      ARG  71  10.638  12.244  -3.268
  562    HG3  ARG  71           3HG      ARG  71   8.896  11.961  -3.128
  563    HD2  ARG  71           2HD      ARG  71   9.364  14.355  -3.435
  564    HD3  ARG  71           3HD      ARG  71   8.559  13.998  -1.910
  565    HE   ARG  71           HE       ARG  71  10.406  14.721  -0.701
  566   HH11  ARG  71          1HH2      ARG  71  11.485  14.575  -4.050
  567   HH12  ARG  71          2HH2      ARG  71  12.977  15.382  -3.650
  568   HH21  ARG  71          1HH1      ARG  71  12.161  15.642  -0.289
  569   HH22  ARG  71          2HH1      ARG  71  13.382  16.007  -1.517
  570    HA   PRO  72           HA       PRO  72  12.174   7.826   1.408
  571    HB2  PRO  72           2HB      PRO  72  14.265   9.995   1.619
  572    HB3  PRO  72           3HB      PRO  72  14.475   8.215   1.664
  573    HG2  PRO  72           2HG      PRO  72  15.029   9.574  -0.605
  574    HG3  PRO  72           3HG      PRO  72  14.094   8.043  -0.698
  575    HD2  PRO  72           2HD      PRO  72  13.042  10.890  -0.751
  576    HD3  PRO  72           3HD      PRO  72  12.616   9.506  -1.798
  577    H    GLU  73           H        GLU  73  11.642  11.313   1.795
  578    HA   GLU  73           HA       GLU  73  11.656  11.332   4.674
  579    HB2  GLU  73           2HB      GLU  73  10.709  13.557   4.456
  580    HB3  GLU  73           3HB      GLU  73  12.018  13.331   3.297
  581    HG2  GLU  73           2HG      GLU  73  10.251  12.845   1.530
  582    HG3  GLU  73           3HG      GLU  73   9.026  13.294   2.717
  583    H    TYR  74           H        TYR  74   9.340   9.997   2.529
  584    HA   TYR  74           HA       TYR  74   7.686   9.294   4.790
  585    HB2  TYR  74           2HB      TYR  74   5.537  10.039   3.622
  586    HB3  TYR  74           3HB      TYR  74   6.497  11.202   4.485
  587    HD1  TYR  74           HD1      TYR  74   6.860  10.004   0.898
  588    HD2  TYR  74           HD2      TYR  74   6.042  13.265   3.600
  589    HE1  TYR  74           HE1      TYR  74   6.702  11.567  -1.029
  590    HE2  TYR  74           HE2      TYR  74   5.881  14.820   1.664
  591    HH   TYR  74           HH       TYR  74   6.191  13.685  -1.718
  592    H    SER  75           H        SER  75   9.118   7.474   3.817
  593    HA   SER  75           HA       SER  75   7.917   5.891   1.704
  594    HB2  SER  75           2HB      SER  75   9.971   5.240   3.816
  595    HB3  SER  75           3HB      SER  75   9.530   4.202   2.446
  596    HG   SER  75           HG       SER  75  11.342   5.464   1.936
  597    H    ALA  76           H        ALA  76   7.895   3.287   2.874
  598    HA   ALA  76           HA       ALA  76   5.198   3.011   3.326
  599    HB1  ALA  76           1HB      ALA  76   6.757   1.235   2.593
  600    HB2  ALA  76           2HB      ALA  76   7.438   1.151   4.235
  601    HB3  ALA  76           3HB      ALA  76   5.745   0.700   3.947
  602    H    SER  77           H        SER  77   7.431   3.930   5.869
  603    HA   SER  77           HA       SER  77   5.898   3.049   8.132
  604    HB2  SER  77           2HB      SER  77   7.267   4.826   9.301
  605    HB3  SER  77           3HB      SER  77   8.219   3.637   8.391
  606    HG   SER  77           HG       SER  77   8.891   5.819   8.009
  607    H    GLN  78           H        GLN  78   5.441   5.680   5.863
  608    HA   GLN  78           HA       GLN  78   3.613   7.115   7.623
  609    HB2  GLN  78           2HB      GLN  78   4.836   7.794   4.925
  610    HB3  GLN  78           3HB      GLN  78   3.728   8.843   5.799
  611    HG2  GLN  78           2HG      GLN  78   6.449   7.944   6.852
  612    HG3  GLN  78           3HG      GLN  78   6.060   9.516   6.158
  613   HE21  GLN  78          2HE2      GLN  78   4.543  10.958   7.285
  614   HE22  GLN  78          1HE2      GLN  78   4.187  10.657   8.986
  615    H    LEU  79           H        LEU  79   2.950   4.439   6.226
  616    HA   LEU  79           HA       LEU  79   0.460   5.177   4.774
  617    HB2  LEU  79           2HB      LEU  79   1.790   2.560   5.546
  618    HB3  LEU  79           3HB      LEU  79   0.216   2.640   4.766
  619    HG   LEU  79           HG       LEU  79   2.617   3.904   3.416
  620   HD11  LEU  79          1HD1      LEU  79   1.844   0.969   3.150
  621   HD12  LEU  79          2HD1      LEU  79   3.080   1.831   2.218
  622   HD13  LEU  79          3HD1      LEU  79   3.296   1.551   3.953
  623   HD21  LEU  79          3HD2      LEU  79   0.228   4.156   2.614
  624   HD22  LEU  79          1HD2      LEU  79   1.369   3.510   1.423
  625   HD23  LEU  79          2HD2      LEU  79   0.232   2.428   2.251
  626    H    LYS  80           H        LYS  80  -1.538   5.193   5.660
  627    HA   LYS  80           HA       LYS  80  -2.064   5.016   8.460
  628    HB2  LYS  80           2HB      LYS  80  -4.059   4.442   6.225
  629    HB3  LYS  80           3HB      LYS  80  -4.435   4.822   7.905
  630    HG2  LYS  80           2HG      LYS  80  -3.257   7.026   7.586
  631    HG3  LYS  80           3HG      LYS  80  -3.165   6.649   5.851
  632    HD2  LYS  80           2HD      LYS  80  -5.721   6.920   7.506
  633    HD3  LYS  80           3HD      LYS  80  -5.043   8.172   6.458
  634    HE2  LYS  80           2HE      LYS  80  -5.301   6.676   4.490
  635    HE3  LYS  80           3HE      LYS  80  -6.010   5.431   5.532
  636    HZ1  LYS  80           3HZ      LYS  80  -7.724   6.753   4.423
  637    HZ2  LYS  80           1HZ      LYS  80  -7.825   6.972   6.038
  638    HZ3  LYS  80           2HZ      LYS  80  -7.171   8.134   5.092
  639    H    GLY  81           H        GLY  81  -2.447   3.364   9.829
  640    HA2  GLY  81           2HA      GLY  81  -2.931   1.242  10.623
  641    HA3  GLY  81           3HA      GLY  81  -3.539   0.823   9.022
  642    H    PHE  82           H        PHE  82  -0.333   1.749   8.498
  643    HA   PHE  82           HA       PHE  82   0.679  -0.848   7.993
  644    HB2  PHE  82           2HB      PHE  82   1.790   0.888   6.947
  645    HB3  PHE  82           3HB      PHE  82   1.854   1.893   8.387
  646    HD1  PHE  82           HD1      PHE  82   3.541   1.593  10.124
  647    HD2  PHE  82           HD2      PHE  82   3.640  -0.676   6.454
  648    HE1  PHE  82           HE1      PHE  82   5.909   0.992  10.558
  649    HE2  PHE  82           HE2      PHE  82   6.020  -1.235   6.877
  650    HZ   PHE  82           HZ       PHE  82   7.146  -0.431   8.934
  651    H    SER  83           H        SER  83   1.001   1.204  10.909
  652    HA   SER  83           HA       SER  83   2.630  -0.434  12.478
  653    HB2  SER  83           2HB      SER  83   0.364   1.369  13.408
  654    HB3  SER  83           3HB      SER  83   1.763   0.842  14.370
  655    HG   SER  83           HG       SER  83   2.107   2.920  13.493
  656    H    LEU  84           H        LEU  84  -0.699  -1.002  11.643
  657    HA   LEU  84           HA       LEU  84  -1.209  -2.809  13.934
  658    HB2  LEU  84           2HB      LEU  84  -3.059  -1.893  11.704
  659    HB3  LEU  84           3HB      LEU  84  -3.520  -2.778  13.152
  660    HG   LEU  84           HG       LEU  84  -2.457   0.083  13.079
  661   HD11  LEU  84          1HD1      LEU  84  -5.227  -1.020  13.686
  662   HD12  LEU  84          2HD1      LEU  84  -4.731   0.685  13.766
  663   HD13  LEU  84          3HD1      LEU  84  -4.746  -0.161  12.206
  664   HD21  LEU  84          3HD2      LEU  84  -3.107   0.158  15.474
  665   HD22  LEU  84          1HD2      LEU  84  -3.460  -1.584  15.430
  666   HD23  LEU  84          2HD2      LEU  84  -1.798  -0.994  15.192
  667    H    LEU  85           H        LEU  85   0.204  -3.158  10.924
  668    HA   LEU  85           HA       LEU  85  -0.789  -5.857  10.275
  669    HB2  LEU  85           2HB      LEU  85   1.772  -4.472   9.438
  670    HB3  LEU  85           3HB      LEU  85   1.063  -5.891   8.689
  671    HG   LEU  85           HG       LEU  85  -0.193  -3.115   8.644
  672   HD11  LEU  85          1HD1      LEU  85   1.381  -4.602   6.504
  673   HD12  LEU  85          2HD1      LEU  85   0.560  -3.039   6.304
  674   HD13  LEU  85          3HD1      LEU  85   1.937  -3.177   7.410
  675   HD21  LEU  85          3HD2      LEU  85  -1.834  -4.955   8.354
  676   HD22  LEU  85          1HD2      LEU  85  -1.625  -3.960   6.902
  677   HD23  LEU  85          2HD2      LEU  85  -0.855  -5.553   6.993
  678    H    ALA  86           H        ALA  86   0.893  -7.707  10.283
  679    HA   ALA  86           HA       ALA  86   2.055  -8.067  12.911
  680    HB1  ALA  86           1HB      ALA  86   2.460  -9.642  10.342
  681    HB2  ALA  86           2HB      ALA  86   2.914 -10.166  11.977
  682    HB3  ALA  86           3HB      ALA  86   1.202  -9.943  11.565
  683    H    THR  87           H        THR  87   4.256  -8.127  13.512
  684    HA   THR  87           HA       THR  87   5.908  -6.062  12.639
  685    HB   THR  87           HB       THR  87   6.860  -8.645  13.908
  686    HG1  THR  87           1HG      THR  87   6.324  -7.635  15.854
  687   HG21  THR  87          1HG2      THR  87   8.709  -7.106  13.336
  688   HG22  THR  87          2HG2      THR  87   7.860  -5.763  14.133
  689   HG23  THR  87          3HG2      THR  87   8.466  -7.138  15.085
  690    H    GLU  88           H        GLU  88   5.963  -9.467  11.516
  691    HA   GLU  88           HA       GLU  88   8.314  -9.225   9.901
  692    HB2  GLU  88           2HB      GLU  88   7.610 -11.294   8.868
  693    HB3  GLU  88           3HB      GLU  88   7.420 -11.367  10.618
  694    HG2  GLU  88           2HG      GLU  88   4.957 -10.917  10.331
  695    HG3  GLU  88           3HG      GLU  88   5.184 -10.965   8.582
  696    H    ASP  89           H        ASP  89   4.979  -8.254   9.245
  697    HA   ASP  89           HA       ASP  89   5.474  -7.780   6.370
  698    HB2  ASP  89           2HB      ASP  89   3.163  -6.935   8.156
  699    HB3  ASP  89           3HB      ASP  89   3.258  -6.691   6.419
  700    H    LYS  90           H        LYS  90   5.225  -5.857   9.378
  701    HA   LYS  90           HA       LYS  90   5.641  -3.270   8.229
  702    HB2  LYS  90           2HB      LYS  90   6.194  -4.440  10.980
  703    HB3  LYS  90           3HB      LYS  90   6.498  -2.737  10.610
  704    HG2  LYS  90           2HG      LYS  90   4.257  -2.227  10.276
  705    HG3  LYS  90           3HG      LYS  90   3.820  -3.879   9.867
  706    HD2  LYS  90           2HD      LYS  90   2.817  -3.335  11.956
  707    HD3  LYS  90           3HD      LYS  90   4.043  -4.577  12.211
  708    HE2  LYS  90           2HE      LYS  90   5.612  -2.866  13.069
  709    HE3  LYS  90           3HE      LYS  90   4.419  -1.600  12.733
  710    HZ1  LYS  90           3HZ      LYS  90   2.919  -2.670  14.334
  711    HZ2  LYS  90           1HZ      LYS  90   4.019  -3.841  14.650
  712    HZ3  LYS  90           2HZ      LYS  90   4.335  -2.294  15.069
  713    H    GLU  91           H        GLU  91   8.039  -5.653   9.384
  714    HA   GLU  91           HA       GLU  91  10.341  -4.064   8.615
  715    HB2  GLU  91           2HB      GLU  91   9.977  -7.057   9.014
  716    HB3  GLU  91           3HB      GLU  91  11.529  -6.287   8.694
  717    HG2  GLU  91           2HG      GLU  91   9.757  -5.675  11.095
  718    HG3  GLU  91           3HG      GLU  91  11.132  -6.769  11.103
  719    H    ALA  92           H        ALA  92   8.481  -6.611   6.834
  720    HA   ALA  92           HA       ALA  92  10.213  -6.613   4.573
  721    HB1  ALA  92           1HB      ALA  92   8.390  -7.818   3.468
  722    HB2  ALA  92           2HB      ALA  92   8.683  -8.432   5.107
  723    HB3  ALA  92           3HB      ALA  92   7.284  -7.373   4.789
  724    H    LEU  93           H        LEU  93   7.245  -4.620   5.132
  725    HA   LEU  93           HA       LEU  93   7.244  -3.401   2.542
  726    HB2  LEU  93           2HB      LEU  93   5.991  -2.906   5.239
  727    HB3  LEU  93           3HB      LEU  93   6.040  -1.570   4.098
  728    HG   LEU  93           HG       LEU  93   4.899  -2.876   2.400
  729   HD11  LEU  93          1HD1      LEU  93   5.524  -5.195   3.021
  730   HD12  LEU  93          2HD1      LEU  93   4.494  -5.061   4.465
  731   HD13  LEU  93          3HD1      LEU  93   3.780  -4.982   2.846
  732   HD21  LEU  93          3HD2      LEU  93   3.596  -1.490   3.955
  733   HD22  LEU  93          1HD2      LEU  93   2.682  -2.946   3.523
  734   HD23  LEU  93          2HD2      LEU  93   3.486  -2.849   5.100
  735    H    LYS  94           H        LYS  94   8.902  -2.468   5.596
  736    HA   LYS  94           HA       LYS  94  10.128  -0.082   4.469
  737    HB2  LYS  94           2HB      LYS  94  10.839  -1.829   6.849
  738    HB3  LYS  94           3HB      LYS  94  11.716  -0.354   6.422
  739    HG2  LYS  94           2HG      LYS  94   9.653   0.987   6.648
  740    HG3  LYS  94           3HG      LYS  94   8.747  -0.453   7.110
  741    HD2  LYS  94           2HD      LYS  94  11.103   0.752   8.632
  742    HD3  LYS  94           3HD      LYS  94   9.395   0.889   9.082
  743    HE2  LYS  94           2HE      LYS  94   9.255  -1.573   9.356
  744    HE3  LYS  94           3HE      LYS  94  10.943  -1.733   8.868
  745    HZ1  LYS  94           3HZ      LYS  94   9.991  -0.407  11.338
  746    HZ2  LYS  94           1HZ      LYS  94  10.826  -1.823  11.199
  747    HZ3  LYS  94           2HZ      LYS  94  11.555  -0.405  10.834
  748    H    LYS  95           H        LYS  95  11.248  -3.488   4.779
  749    HA   LYS  95           HA       LYS  95  13.817  -3.016   3.679
  750    HB2  LYS  95           2HB      LYS  95  12.101  -5.505   3.824
  751    HB3  LYS  95           3HB      LYS  95  13.671  -5.528   3.013
  752    HG2  LYS  95           2HG      LYS  95  14.780  -4.656   5.042
  753    HG3  LYS  95           3HG      LYS  95  13.255  -4.693   5.918
  754    HD2  LYS  95           2HD      LYS  95  14.700  -7.100   4.721
  755    HD3  LYS  95           3HD      LYS  95  14.701  -6.627   6.425
  756    HE2  LYS  95           2HE      LYS  95  12.217  -6.926   6.488
  757    HE3  LYS  95           3HE      LYS  95  12.261  -7.487   4.809
  758    HZ1  LYS  95           3HZ      LYS  95  12.293  -9.360   6.358
  759    HZ2  LYS  95           1HZ      LYS  95  13.695  -9.323   5.526
  760    HZ3  LYS  95           2HZ      LYS  95  13.653  -8.814   7.077
  761    H    GLN  96           H        GLN  96  10.812  -3.152   1.985
  762    HA   GLN  96           HA       GLN  96  12.135  -3.285  -0.683
  763    HB2  GLN  96           2HB      GLN  96   9.226  -3.311   0.193
  764    HB3  GLN  96           3HB      GLN  96   9.761  -3.294  -1.494
  765    HG2  GLN  96           2HG      GLN  96  10.829  -5.435  -1.309
  766    HG3  GLN  96           3HG      GLN  96  10.643  -5.468   0.445
  767   HE21  GLN  96          2HE2      GLN  96   8.451  -5.606   1.343
  768   HE22  GLN  96          1HE2      GLN  96   7.198  -6.412   0.386
  769    H    LEU  97           H        LEU  97  10.301  -1.032   1.408
  770    HA   LEU  97           HA       LEU  97  11.318   1.242  -0.199
  771    HB2  LEU  97           2HB      LEU  97   9.120   0.656  -1.041
  772    HB3  LEU  97           3HB      LEU  97   8.416   0.747   0.568
  773    HG   LEU  97           HG       LEU  97   8.636   3.139   0.634
  774   HD11  LEU  97          1HD1      LEU  97   9.661   4.414  -1.279
  775   HD12  LEU  97          2HD1      LEU  97  10.834   3.519  -0.312
  776   HD13  LEU  97          3HD1      LEU  97  10.323   2.871  -1.886
  777   HD21  LEU  97          3HD2      LEU  97   7.803   2.297  -2.171
  778   HD22  LEU  97          1HD2      LEU  97   6.789   2.226  -0.717
  779   HD23  LEU  97          2HD2      LEU  97   7.332   3.793  -1.337
  780    HA   PRO  98           HA       PRO  98  11.812   2.039   4.292
  781    HB2  PRO  98           2HB      PRO  98  14.542   2.389   4.380
  782    HB3  PRO  98           3HB      PRO  98  13.720   0.811   4.473
  783    HG2  PRO  98           2HG      PRO  98  15.251   1.977   2.202
  784    HG3  PRO  98           3HG      PRO  98  14.855   0.265   2.559
  785    HD2  PRO  98           2HD      PRO  98  13.543   2.057   0.707
  786    HD3  PRO  98           3HD      PRO  98  13.166   0.351   1.071
  787    H    GLY  99           H        GLY  99  12.209   4.062   5.448
  788    HA2  GLY  99           2HA      GLY  99  12.329   6.471   3.754
  789    HA3  GLY  99           3HA      GLY  99  11.748   6.356   5.407
  790    H    VAL 100           H        VAL 100  13.002   8.275   5.532
  791    HA   VAL 100           HA       VAL 100  15.834   7.851   6.416
  792    HB   VAL 100           HB       VAL 100  15.389   8.894   4.040
  793   HG11  VAL 100          1HG1      VAL 100  15.069  11.446   5.627
  794   HG12  VAL 100          2HG1      VAL 100  15.070  11.227   3.869
  795   HG13  VAL 100          3HG1      VAL 100  13.739  10.570   4.836
  796   HG21  VAL 100          3HG2      VAL 100  17.312  10.341   5.885
  797   HG22  VAL 100          1HG2      VAL 100  17.598   8.749   5.136
  798   HG23  VAL 100          2HG2      VAL 100  17.395  10.186   4.124
  799    H    LYS 101           H        LYS 101  16.652   9.777   7.653
  800    HA   LYS 101           HA       LYS 101  14.768  10.267   9.802
  801    HB2  LYS 101           2HB      LYS 101  17.328   9.723   9.968
  802    HB3  LYS 101           3HB      LYS 101  17.535  11.475   9.757
  803    HG2  LYS 101           2HG      LYS 101  15.683  11.673  11.585
  804    HG3  LYS 101           3HG      LYS 101  15.945   9.954  11.862
  805    HD2  LYS 101           2HD      LYS 101  18.091  12.126  12.099
  806    HD3  LYS 101           3HD      LYS 101  17.116  11.524  13.443
  807    HE2  LYS 101           2HE      LYS 101  17.983   9.196  12.949
  808    HE3  LYS 101           3HE      LYS 101  19.089   9.911  11.764
  809    HZ1  LYS 101           3HZ      LYS 101  20.047  11.235  13.581
  810    HZ2  LYS 101           1HZ      LYS 101  18.988  10.591  14.657
  811    HZ3  LYS 101           2HZ      LYS 101  20.137   9.646  13.958
  812    H    SER 102           H        SER 102  13.561  11.395   7.777
  813    HA   SER 102           HA       SER 102  13.675  14.282   7.711
  814    HB2  SER 102           2HB      SER 102  11.249  14.092   7.168
  815    HB3  SER 102           3HB      SER 102  12.292  13.071   6.163
  816    HG   SER 102           HG       SER 102  10.411  11.957   6.954
  817    H    GLU 103           H        GLU 103  12.420  11.994  10.109
  818    HA   GLU 103           HA       GLU 103  11.566  14.066  12.003
  819    HB2  GLU 103           2HB      GLU 103  10.568  11.767  11.847
  820    HB3  GLU 103           3HB      GLU 103  12.079  11.100  12.470
  821    HG2  GLU 103           2HG      GLU 103  11.767  12.432  14.570
  822    HG3  GLU 103           3HG      GLU 103  10.299  13.137  13.895
  823    H    GLY 104           H        GLY 104  13.722  15.173  11.484
  824    HA2  GLY 104           2HA      GLY 104  16.218  14.115  11.929
  825    HA3  GLY 104           3HA      GLY 104  15.855  15.837  11.976
  826    H    LYS 105           H        LYS 105  14.148  15.079  14.523
  827    HA   LYS 105           HA       LYS 105  16.261  15.536  16.525
  828    HB2  LYS 105           2HB      LYS 105  13.245  15.166  16.783
  829    HB3  LYS 105           3HB      LYS 105  14.335  15.586  18.108
  830    HG2  LYS 105           2HG      LYS 105  14.996  17.666  16.928
  831    HG3  LYS 105           3HG      LYS 105  13.856  17.286  15.621
  832    HD2  LYS 105           2HD      LYS 105  11.986  17.279  17.261
  833    HD3  LYS 105           3HD      LYS 105  13.104  17.736  18.549
  834    HE2  LYS 105           2HE      LYS 105  12.572  19.371  16.022
  835    HE3  LYS 105           3HE      LYS 105  11.760  19.631  17.568
  836    HZ1  LYS 105           3HZ      LYS 105  14.685  19.911  17.124
  837    HZ2  LYS 105           1HZ      LYS 105  13.629  21.135  17.330
  838    HZ3  LYS 105           2HZ      LYS 105  13.934  20.113  18.564
  839    H    ARG 106           H        ARG 106  14.934  12.722  15.128
  840    HA   ARG 106           HA       ARG 106  14.737  11.024  17.415
  841    HB2  ARG 106           2HB      ARG 106  13.638  10.767  15.155
  842    HB3  ARG 106           3HB      ARG 106  15.188  10.212  14.513
  843    HG2  ARG 106           2HG      ARG 106  15.127   8.311  16.166
  844    HG3  ARG 106           3HG      ARG 106  13.559   8.916  16.746
  845    HD2  ARG 106           2HD      ARG 106  12.705   8.681  14.348
  846    HD3  ARG 106           3HD      ARG 106  14.231   7.901  13.950
  847    HE   ARG 106           HE       ARG 106  13.614   5.993  15.168
  848   HH11  ARG 106          1HH2      ARG 106  11.049   8.420  15.557
  849   HH12  ARG 106          2HH2      ARG 106  10.020   7.261  16.353
  850   HH21  ARG 106          1HH1      ARG 106  12.186   4.615  16.134
  851   HH22  ARG 106          2HH1      ARG 106  10.620   5.179  16.631
  852    H    LYS 107           H        LYS 107  16.143   9.802  18.501
  853    HA   LYS 107           HA       LYS 107  18.824   9.104  17.415
  854    HB2  LYS 107           2HB      LYS 107  18.363  10.431  20.124
  855    HB3  LYS 107           3HB      LYS 107  19.867   9.665  19.610
  856    HG2  LYS 107           2HG      LYS 107  20.015  11.315  17.704
  857    HG3  LYS 107           3HG      LYS 107  18.571  12.113  18.343
  858    HD2  LYS 107           2HD      LYS 107  20.408  13.375  19.138
  859    HD3  LYS 107           3HD      LYS 107  19.800  12.457  20.523
  860    HE2  LYS 107           2HE      LYS 107  21.623  10.733  20.056
  861    HE3  LYS 107           3HE      LYS 107  22.253  11.823  18.811
  862    HZ1  LYS 107           3HZ      LYS 107  23.400  12.164  20.917
  863    HZ2  LYS 107           1HZ      LYS 107  22.520  13.507  20.602
  864    HZ3  LYS 107           2HZ      LYS 107  21.989  12.412  21.709
  865    H    GLY 108           H        GLY 108  19.836   7.348  18.345
  866    HA2  GLY 108           2HA      GLY 108  18.107   5.258  19.453
  867    HA3  GLY 108           3HA      GLY 108  19.839   5.155  19.122
  868    H    ASP 109           H        ASP 109  17.512   5.507  21.517
  869    HA   ASP 109           HA       ASP 109  18.787   6.887  23.608
  870    HB2  ASP 109           2HB      ASP 109  16.416   6.085  23.515
  871    HB3  ASP 109           3HB      ASP 109  16.986   4.439  23.783
  872    H    GLU 110           H        GLU 110  19.821   3.893  22.301
  873    HA   GLU 110           HA       GLU 110  21.371   3.188  24.690
  874    HB2  GLU 110           2HB      GLU 110  22.052   1.205  23.464
  875    HB3  GLU 110           3HB      GLU 110  20.304   1.410  23.386
  876    HG2  GLU 110           2HG      GLU 110  20.526   2.371  21.089
  877    HG3  GLU 110           3HG      GLU 110  22.273   2.152  21.170
  878    H    VAL 111           H        VAL 111  21.888   5.333  22.143
  879    HA   VAL 111           HA       VAL 111  24.825   5.334  22.619
  880    HB   VAL 111           HB       VAL 111  24.203   4.117  20.524
  881   HG11  VAL 111          1HG1      VAL 111  23.427   6.866  19.476
  882   HG12  VAL 111          2HG1      VAL 111  23.605   5.383  18.516
  883   HG13  VAL 111          3HG1      VAL 111  22.335   5.486  19.738
  884   HG21  VAL 111          3HG2      VAL 111  25.962   4.967  19.170
  885   HG22  VAL 111          1HG2      VAL 111  25.924   6.546  19.969
  886   HG23  VAL 111          2HG2      VAL 111  26.454   5.103  20.866
  887    H    ASP 112           H        ASP 112  22.077   7.124  22.766
  888    HA   ASP 112           HA       ASP 112  22.892   9.779  22.125
  889    HB2  ASP 112           2HB      ASP 112  20.575   9.213  22.488
  890    HB3  ASP 112           3HB      ASP 112  20.900   8.680  24.135
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  18.595  14.193  16.870
    2    H2   GLY   1           H2       GLY   1  16.992  14.234  17.211
    3    H3   GLY   1           H3       GLY   1  17.584  15.104  15.956
    4    HA2  GLY   1           2HA      GLY   1  18.204  13.095  14.773
    5    HA3  GLY   1           3HA      GLY   1  17.543  12.160  16.127
    6    H    SER   2           H        SER   2  16.092  11.128  14.653
    7    HA   SER   2           HA       SER   2  13.543  12.552  14.332
    8    HB2  SER   2           2HB      SER   2  14.873  12.934  12.192
    9    HB3  SER   2           3HB      SER   2  14.762  11.187  11.904
   10    HG   SER   2           HG       SER   2  13.059  12.494  10.931
   11    H    LYS   3           H        LYS   3  11.907  10.905  13.317
   12    HA   LYS   3           HA       LYS   3  12.369   8.092  14.028
   13    HB2  LYS   3           2HB      LYS   3  11.684   9.224  16.183
   14    HB3  LYS   3           3HB      LYS   3  10.147   9.652  15.419
   15    HG2  LYS   3           2HG      LYS   3   9.669   7.213  15.092
   16    HG3  LYS   3           3HG      LYS   3  11.215   6.821  15.875
   17    HD2  LYS   3           2HD      LYS   3  10.417   7.937  17.957
   18    HD3  LYS   3           3HD      LYS   3   8.901   8.353  17.134
   19    HE2  LYS   3           2HE      LYS   3   8.645   5.818  16.686
   20    HE3  LYS   3           3HE      LYS   3   9.948   5.583  17.861
   21    HZ1  LYS   3           3HZ      LYS   3   8.530   6.800  19.483
   22    HZ2  LYS   3           1HZ      LYS   3   7.352   6.941  18.340
   23    HZ3  LYS   3           2HZ      LYS   3   7.763   5.465  18.922
   24    H    ALA   4           H        ALA   4  11.050   6.694  12.945
   25    HA   ALA   4           HA       ALA   4   9.232   7.823  10.884
   26    HB1  ALA   4           1HB      ALA   4  10.571   5.097  11.111
   27    HB2  ALA   4           2HB      ALA   4   9.578   5.669   9.756
   28    HB3  ALA   4           3HB      ALA   4  11.123   6.459  10.109
   29    H    GLU   5           H        GLU   5   7.423   8.258  12.040
   30    HA   GLU   5           HA       GLU   5   5.667   5.957  12.584
   31    HB2  GLU   5           2HB      GLU   5   5.015   6.694  14.766
   32    HB3  GLU   5           3HB      GLU   5   6.759   6.416  14.739
   33    HG2  GLU   5           2HG      GLU   5   7.270   8.712  14.906
   34    HG3  GLU   5           3HG      GLU   5   5.674   9.218  14.357
   35    H    LYS   6           H        LYS   6   3.392   6.817  13.182
   36    HA   LYS   6           HA       LYS   6   1.469   7.696  12.354
   37    HB2  LYS   6           2HB      LYS   6   3.018  10.307  12.145
   38    HB3  LYS   6           3HB      LYS   6   1.265  10.116  12.127
   39    HG2  LYS   6           2HG      LYS   6   1.390   9.092  14.425
   40    HG3  LYS   6           3HG      LYS   6   3.112   9.524  14.464
   41    HD2  LYS   6           2HD      LYS   6   2.503  11.926  14.124
   42    HD3  LYS   6           3HD      LYS   6   0.800  11.468  14.044
   43    HE2  LYS   6           2HE      LYS   6   1.058  12.258  16.226
   44    HE3  LYS   6           3HE      LYS   6   1.033  10.500  16.389
   45    HZ1  LYS   6           3HZ      LYS   6   2.810  11.516  17.705
   46    HZ2  LYS   6           1HZ      LYS   6   3.484  10.559  16.573
   47    HZ3  LYS   6           2HZ      LYS   6   3.486  12.186  16.381
   48    H    THR   7           H        THR   7   0.773   9.478  10.392
   49    HA   THR   7           HA       THR   7   1.723   8.179   7.858
   50    HB   THR   7           HB       THR   7  -1.066   9.203   8.443
   51    HG1  THR   7           1HG      THR   7  -0.680   7.457   9.777
   52   HG21  THR   7          1HG2      THR   7  -0.139   8.698   5.953
   53   HG22  THR   7          2HG2      THR   7  -0.517   7.063   6.410
   54   HG23  THR   7          3HG2      THR   7  -1.765   8.338   6.450
   55    H    LEU   8           H        LEU   8   1.878   9.524   6.001
   56    HA   LEU   8           HA       LEU   8   2.053  12.400   6.435
   57    HB2  LEU   8           2HB      LEU   8   2.921  12.608   4.363
   58    HB3  LEU   8           3HB      LEU   8   3.403  10.970   4.753
   59    HG   LEU   8           HG       LEU   8   1.083  11.813   2.943
   60   HD11  LEU   8          1HD1      LEU   8   3.718  10.479   2.259
   61   HD12  LEU   8          2HD1      LEU   8   2.428  10.927   1.129
   62   HD13  LEU   8          3HD1      LEU   8   3.328  12.191   1.984
   63   HD21  LEU   8          3HD2      LEU   8   2.126   9.049   3.643
   64   HD22  LEU   8          1HD2      LEU   8   0.502   9.665   3.964
   65   HD23  LEU   8          2HD2      LEU   8   1.015   9.391   2.304
   66    H    GLY   9           H        GLY   9  -0.670  10.438   5.845
   67    HA2  GLY   9           2HA      GLY   9  -2.905  11.053   5.746
   68    HA3  GLY   9           3HA      GLY   9  -2.451  12.741   5.520
   69    H    ASP  10           H        ASP  10  -1.716   9.777   3.550
   70    HA   ASP  10           HA       ASP  10  -3.277  10.808   1.310
   71    HB2  ASP  10           2HB      ASP  10  -0.717  11.765   1.434
   72    HB3  ASP  10           3HB      ASP  10  -0.441  10.253   0.555
   73    H    PHE  11           H        PHE  11  -1.217   8.187   2.618
   74    HA   PHE  11           HA       PHE  11  -2.730   6.273   0.948
   75    HB2  PHE  11           2HB      PHE  11  -0.479   5.053   0.574
   76    HB3  PHE  11           3HB      PHE  11  -0.980   6.359  -0.440
   77    HD1  PHE  11           HD2      PHE  11   1.093   6.081   2.749
   78    HD2  PHE  11           HD1      PHE  11   0.643   7.745  -1.208
   79    HE1  PHE  11           HE2      PHE  11   3.394   6.967   2.853
   80    HE2  PHE  11           HE1      PHE  11   2.915   8.721  -1.046
   81    HZ   PHE  11           HZ       PHE  11   4.307   8.306   0.973
   82    H    ALA  12           H        ALA  12  -2.640   4.064   1.608
   83    HA   ALA  12           HA       ALA  12  -2.542   3.736   4.571
   84    HB1  ALA  12           1HB      ALA  12  -4.829   2.893   4.507
   85    HB2  ALA  12           2HB      ALA  12  -4.784   4.524   3.798
   86    HB3  ALA  12           3HB      ALA  12  -4.887   3.101   2.746
   87    H    ALA  13           H        ALA  13  -2.664   1.572   5.356
   88    HA   ALA  13           HA       ALA  13  -2.131  -0.663   3.471
   89    HB1  ALA  13           1HB      ALA  13  -0.480   0.057   5.944
   90    HB2  ALA  13           2HB      ALA  13  -0.198  -1.304   4.826
   91    HB3  ALA  13           3HB      ALA  13   0.014   0.368   4.275
   92    H    GLU  14           H        GLU  14  -3.233  -2.492   4.041
   93    HA   GLU  14           HA       GLU  14  -3.871  -3.155   6.832
   94    HB2  GLU  14           2HB      GLU  14  -5.621  -1.516   6.306
   95    HB3  GLU  14           3HB      GLU  14  -5.990  -2.341   4.802
   96    HG2  GLU  14           2HG      GLU  14  -7.714  -2.677   6.439
   97    HG3  GLU  14           3HG      GLU  14  -6.981  -4.192   5.994
   98    H    TYR  15           H        TYR  15  -4.737  -5.374   7.028
   99    HA   TYR  15           HA       TYR  15  -3.993  -7.250   4.905
  100    HB2  TYR  15           2HB      TYR  15  -5.790  -7.550   7.340
  101    HB3  TYR  15           3HB      TYR  15  -5.328  -8.861   6.269
  102    HD1  TYR  15           HD2      TYR  15  -2.274  -7.333   6.274
  103    HD2  TYR  15           HD1      TYR  15  -5.006  -9.198   9.057
  104    HE1  TYR  15           HE2      TYR  15  -0.366  -8.001   7.704
  105    HE2  TYR  15           HE1      TYR  15  -3.092  -9.830  10.500
  106    HH   TYR  15           HH       TYR  15  -0.847  -9.833  10.745
  107    H    ALA  16           H        ALA  16  -5.110  -7.964   3.231
  108    HA   ALA  16           HA       ALA  16  -7.501  -6.738   2.341
  109    HB1  ALA  16           1HB      ALA  16  -6.175  -9.339   1.555
  110    HB2  ALA  16           2HB      ALA  16  -7.401  -8.488   0.585
  111    HB3  ALA  16           3HB      ALA  16  -5.810  -7.745   0.877
  112    H    LYS  17           H        LYS  17  -9.301  -6.847   3.582
  113    HA   LYS  17           HA       LYS  17 -10.187  -9.218   4.986
  114    HB2  LYS  17           2HB      LYS  17 -11.835  -6.753   4.303
  115    HB3  LYS  17           3HB      LYS  17 -12.111  -7.889   5.617
  116    HG2  LYS  17           2HG      LYS  17  -9.814  -5.900   5.386
  117    HG3  LYS  17           3HG      LYS  17 -11.218  -5.777   6.434
  118    HD2  LYS  17           2HD      LYS  17 -10.481  -7.680   7.782
  119    HD3  LYS  17           3HD      LYS  17  -9.173  -8.029   6.644
  120    HE2  LYS  17           2HE      LYS  17  -8.188  -6.915   8.513
  121    HE3  LYS  17           3HE      LYS  17  -8.131  -5.849   7.112
  122    HZ1  LYS  17           3HZ      LYS  17 -10.144  -4.728   8.056
  123    HZ2  LYS  17           1HZ      LYS  17  -9.988  -5.629   9.417
  124    HZ3  LYS  17           2HZ      LYS  17  -8.807  -4.570   8.973
  125    H    SER  18           H        SER  18 -10.450  -8.362   1.737
  126    HA   SER  18           HA       SER  18 -12.444 -10.459   1.123
  127    HB2  SER  18           2HB      SER  18 -13.609  -8.868  -0.375
  128    HB3  SER  18           3HB      SER  18 -13.680  -8.340   1.310
  129    HG   SER  18           HG       SER  18 -13.128  -6.604  -0.043
  130    H    ASN  19           H        ASN  19 -12.321 -11.181  -1.099
  131    HA   ASN  19           HA       ASN  19  -9.805 -10.518  -2.524
  132    HB2  ASN  19           2HB      ASN  19 -10.452 -12.910  -2.064
  133    HB3  ASN  19           3HB      ASN  19 -11.830 -12.702  -3.146
  134   HD21  ASN  19          2HD2      ASN  19  -8.543 -11.322  -3.774
  135   HD22  ASN  19          1HD2      ASN  19  -8.065 -12.594  -4.873
  136    H    ARG  20           H        ARG  20 -12.251  -8.789  -2.239
  137    HA   ARG  20           HA       ARG  20 -13.279  -8.446  -4.999
  138    HB2  ARG  20           2HB      ARG  20 -13.938  -7.110  -2.334
  139    HB3  ARG  20           3HB      ARG  20 -14.757  -6.754  -3.855
  140    HG2  ARG  20           2HG      ARG  20 -14.780  -9.446  -2.417
  141    HG3  ARG  20           3HG      ARG  20 -16.081  -8.252  -2.441
  142    HD2  ARG  20           2HD      ARG  20 -16.244  -8.511  -4.921
  143    HD3  ARG  20           3HD      ARG  20 -15.005  -9.784  -4.844
  144    HE   ARG  20           HE       ARG  20 -17.096 -10.435  -3.022
  145   HH11  ARG  20          1HH2      ARG  20 -16.627 -10.308  -6.493
  146   HH12  ARG  20          2HH2      ARG  20 -17.830 -11.534  -6.791
  147   HH21  ARG  20          1HH1      ARG  20 -18.616 -11.993  -3.474
  148   HH22  ARG  20          2HH1      ARG  20 -18.922 -12.456  -5.121
  149    H    SER  21           H        SER  21 -10.928  -6.958  -2.892
  150    HA   SER  21           HA       SER  21 -10.610  -4.501  -4.397
  151    HB2  SER  21           2HB      SER  21  -8.306  -4.536  -3.285
  152    HB3  SER  21           3HB      SER  21  -9.719  -4.457  -2.226
  153    HG   SER  21           HG       SER  21  -8.484  -6.933  -2.899
  154    H    THR  22           H        THR  22  -9.196  -4.027  -6.052
  155    HA   THR  22           HA       THR  22  -7.631  -6.238  -7.322
  156    HB   THR  22           HB       THR  22  -9.270  -4.170  -8.776
  157    HG1  THR  22           1HG      THR  22 -10.563  -5.814  -7.936
  158   HG21  THR  22          1HG2      THR  22  -7.772  -6.530  -9.956
  159   HG22  THR  22          2HG2      THR  22  -8.754  -5.353 -10.837
  160   HG23  THR  22          3HG2      THR  22  -7.248  -4.832 -10.080
  161    H    CYS  23           HN       CYS  23  -5.641  -5.691  -7.886
  162    HA   CYS  23           HA       CYS  23  -4.495  -3.228  -6.946
  163    HB2  CYS  23           2HB      CYS  23  -3.288  -5.269  -6.751
  164    HB3  CYS  23           3HB      CYS  23  -3.582  -5.670  -8.443
  165    H    LYS  24           H        LYS  24  -4.746  -1.402  -7.977
  166    HA   LYS  24           HA       LYS  24  -5.182  -1.174 -10.840
  167    HB2  LYS  24           2HB      LYS  24  -4.727   0.898  -8.685
  168    HB3  LYS  24           3HB      LYS  24  -5.408   1.198 -10.299
  169    HG2  LYS  24           2HG      LYS  24  -6.671  -0.368  -8.001
  170    HG3  LYS  24           3HG      LYS  24  -7.206   1.148  -8.675
  171    HD2  LYS  24           2HD      LYS  24  -7.837   0.071 -10.782
  172    HD3  LYS  24           3HD      LYS  24  -7.360  -1.514 -10.107
  173    HE2  LYS  24           2HE      LYS  24  -8.952  -1.273  -8.273
  174    HE3  LYS  24           3HE      LYS  24  -9.362   0.366  -8.779
  175    HZ1  LYS  24           3HZ      LYS  24  -9.901  -2.084 -10.392
  176    HZ2  LYS  24           1HZ      LYS  24 -11.022  -1.243  -9.551
  177    HZ3  LYS  24           2HZ      LYS  24 -10.290  -0.562 -10.839
  178    H    GLY  25           H        GLY  25  -2.427  -1.686  -9.059
  179    HA2  GLY  25           2HA      GLY  25  -0.494  -0.254 -10.725
  180    HA3  GLY  25           3HA      GLY  25  -0.171  -1.581  -9.606
  181    H    CYS  26           HN       CYS  26  -1.683  -3.631 -10.622
  182    HA   CYS  26           HA       CYS  26  -0.570  -4.023 -13.360
  183    HB2  CYS  26           2HB      CYS  26   0.212  -6.166 -12.883
  184    HB3  CYS  26           3HB      CYS  26   0.827  -5.083 -11.636
  185    H    MET  27           H        MET  27  -3.532  -3.904 -11.952
  186    HA   MET  27           HA       MET  27  -5.607  -4.525 -12.547
  187    HB2  MET  27           2HB      MET  27  -4.442  -5.331 -15.226
  188    HB3  MET  27           3HB      MET  27  -6.148  -5.152 -14.867
  189    HG2  MET  27           2HG      MET  27  -4.261  -2.812 -14.523
  190    HG3  MET  27           3HG      MET  27  -4.893  -3.284 -16.093
  191    HE1  MET  27           3HE      MET  27  -5.376  -1.215 -13.050
  192    HE2  MET  27           1HE      MET  27  -7.130  -1.032 -12.825
  193    HE3  MET  27           2HE      MET  27  -6.337  -2.554 -12.372
  194    H    GLU  28           H        GLU  28  -4.447  -6.247 -10.854
  195    HA   GLU  28           HA       GLU  28  -5.805  -8.789 -11.597
  196    HB2  GLU  28           2HB      GLU  28  -2.994  -8.582 -10.471
  197    HB3  GLU  28           3HB      GLU  28  -3.973 -10.023 -10.284
  198    HG2  GLU  28           2HG      GLU  28  -3.177  -8.791 -12.940
  199    HG3  GLU  28           3HG      GLU  28  -2.405 -10.176 -12.164
  200    H    LYS  29           H        LYS  29  -6.518 -10.040  -9.867
  201    HA   LYS  29           HA       LYS  29  -7.711  -8.286  -7.893
  202    HB2  LYS  29           2HB      LYS  29  -8.967 -10.176  -7.106
  203    HB3  LYS  29           3HB      LYS  29  -9.000 -10.107  -8.867
  204    HG2  LYS  29           2HG      LYS  29  -7.231 -11.905  -8.928
  205    HG3  LYS  29           3HG      LYS  29  -7.328 -11.998  -7.158
  206    HD2  LYS  29           2HD      LYS  29  -9.794 -12.533  -7.379
  207    HD3  LYS  29           3HD      LYS  29  -9.585 -12.526  -9.132
  208    HE2  LYS  29           2HE      LYS  29  -9.497 -14.795  -8.555
  209    HE3  LYS  29           3HE      LYS  29  -7.812 -14.344  -8.835
  210    HZ1  LYS  29           3HZ      LYS  29  -8.115 -15.667  -6.793
  211    HZ2  LYS  29           1HZ      LYS  29  -7.523 -14.196  -6.404
  212    HZ3  LYS  29           2HZ      LYS  29  -9.107 -14.527  -6.157
  213    H    ILE  30           H        ILE  30  -7.291  -7.942  -5.833
  214    HA   ILE  30           HA       ILE  30  -4.733  -8.892  -4.731
  215    HB   ILE  30           HB       ILE  30  -6.815  -6.877  -3.923
  216   HG12  ILE  30          2HG1      ILE  30  -3.823  -6.547  -4.376
  217   HG13  ILE  30          3HG1      ILE  30  -4.988  -6.470  -5.691
  218   HG21  ILE  30          1HG2      ILE  30  -4.375  -7.568  -2.249
  219   HG22  ILE  30          2HG2      ILE  30  -5.606  -6.306  -1.961
  220   HG23  ILE  30          3HG2      ILE  30  -6.050  -7.990  -1.801
  221   HD11  ILE  30          3HD1      ILE  30  -6.134  -4.570  -4.614
  222   HD12  ILE  30          1HD1      ILE  30  -4.927  -4.591  -3.300
  223   HD13  ILE  30          2HD1      ILE  30  -4.429  -4.239  -4.959
  224    H    GLU  31           H        GLU  31  -4.475 -10.561  -3.395
  225    HA   GLU  31           HA       GLU  31  -6.690 -12.337  -2.924
  226    HB2  GLU  31           2HB      GLU  31  -3.795 -12.513  -2.068
  227    HB3  GLU  31           3HB      GLU  31  -4.981 -13.812  -1.931
  228    HG2  GLU  31           2HG      GLU  31  -4.049 -12.533  -4.539
  229    HG3  GLU  31           3HG      GLU  31  -3.472 -14.047  -3.866
  230    H    LYS  32           H        LYS  32  -7.704 -12.924  -1.138
  231    HA   LYS  32           HA       LYS  32  -7.860 -11.134   1.112
  232    HB2  LYS  32           2HB      LYS  32  -9.746 -12.520   0.275
  233    HB3  LYS  32           3HB      LYS  32  -8.917 -13.979   0.838
  234    HG2  LYS  32           2HG      LYS  32  -9.031 -13.143   3.176
  235    HG3  LYS  32           3HG      LYS  32  -9.812 -11.653   2.604
  236    HD2  LYS  32           2HD      LYS  32 -11.721 -12.948   1.779
  237    HD3  LYS  32           3HD      LYS  32 -10.924 -14.461   2.276
  238    HE2  LYS  32           2HE      LYS  32 -10.931 -13.702   4.633
  239    HE3  LYS  32           3HE      LYS  32 -11.700 -12.184   4.155
  240    HZ1  LYS  32           3HZ      LYS  32 -12.919 -14.876   3.834
  241    HZ2  LYS  32           1HZ      LYS  32 -13.330 -13.785   4.976
  242    HZ3  LYS  32           2HZ      LYS  32 -13.629 -13.466   3.406
  243    H    GLY  33           H        GLY  33  -7.155 -11.311   3.157
  244    HA2  GLY  33           2HA      GLY  33  -6.021 -12.053   5.033
  245    HA3  GLY  33           3HA      GLY  33  -5.769 -13.611   4.250
  246    H    GLN  34           H        GLN  34  -4.500 -11.113   2.319
  247    HA   GLN  34           HA       GLN  34  -1.872 -11.038   3.700
  248    HB2  GLN  34           2HB      GLN  34  -0.657 -11.172   1.614
  249    HB3  GLN  34           3HB      GLN  34  -1.593 -12.616   1.931
  250    HG2  GLN  34           2HG      GLN  34  -1.780 -12.261  -0.392
  251    HG3  GLN  34           3HG      GLN  34  -3.328 -11.788   0.266
  252   HE21  GLN  34          1HE2      GLN  34  -4.007  -9.590  -0.109
  253   HE22  GLN  34          2HE2      GLN  34  -2.870  -8.351  -0.666
  254    H    VAL  35           H        VAL  35  -0.527  -9.082   2.851
  255    HA   VAL  35           HA       VAL  35  -2.047  -6.796   3.644
  256    HB   VAL  35           HB       VAL  35   0.712  -6.903   2.369
  257   HG11  VAL  35          1HG1      VAL  35   1.084  -4.748   3.574
  258   HG12  VAL  35          2HG1      VAL  35  -0.122  -4.601   2.305
  259   HG13  VAL  35          3HG1      VAL  35  -0.638  -4.707   4.009
  260   HG21  VAL  35          3HG2      VAL  35  -0.122  -6.891   5.297
  261   HG22  VAL  35          1HG2      VAL  35   0.636  -8.244   4.433
  262   HG23  VAL  35          2HG2      VAL  35   1.541  -6.756   4.692
  263    H    ARG  36           H        ARG  36  -2.960  -5.092   2.582
  264    HA   ARG  36           HA       ARG  36  -2.375  -4.696  -0.293
  265    HB2  ARG  36           2HB      ARG  36  -4.640  -4.245  -0.877
  266    HB3  ARG  36           3HB      ARG  36  -4.465  -5.878  -0.217
  267    HG2  ARG  36           2HG      ARG  36  -5.560  -5.254   1.847
  268    HG3  ARG  36           3HG      ARG  36  -5.600  -3.558   1.372
  269    HD2  ARG  36           2HD      ARG  36  -7.039  -4.175  -0.601
  270    HD3  ARG  36           3HD      ARG  36  -7.057  -5.845  -0.024
  271    HE   ARG  36           HE       ARG  36  -8.000  -3.688   1.797
  272   HH11  ARG  36          1HH2      ARG  36  -9.116  -6.209  -0.405
  273   HH12  ARG  36          2HH2      ARG  36 -10.654  -6.337   0.384
  274   HH21  ARG  36          1HH1      ARG  36 -10.030  -3.851   2.672
  275   HH22  ARG  36          2HH1      ARG  36 -11.165  -4.994   2.022
  276    H    LEU  37           H        LEU  37  -2.154  -2.633  -0.957
  277    HA   LEU  37           HA       LEU  37  -2.295  -0.516   1.136
  278    HB2  LEU  37           2HB      LEU  37  -0.459  -0.452  -1.275
  279    HB3  LEU  37           3HB      LEU  37  -0.495   0.599   0.154
  280    HG   LEU  37           HG       LEU  37   1.429  -0.573   0.363
  281   HD11  LEU  37          1HD1      LEU  37  -0.458  -2.147   2.130
  282   HD12  LEU  37          2HD1      LEU  37   1.247  -1.729   2.424
  283   HD13  LEU  37          3HD1      LEU  37   0.012  -0.452   2.348
  284   HD21  LEU  37          3HD2      LEU  37   0.037  -3.258  -0.024
  285   HD22  LEU  37          1HD2      LEU  37   1.025  -2.412  -1.239
  286   HD23  LEU  37          2HD2      LEU  37   1.747  -2.945   0.297
  287    H    SER  38           H        SER  38  -2.875   1.648   0.419
  288    HA   SER  38           HA       SER  38  -3.813   1.926  -2.345
  289    HB2  SER  38           2HB      SER  38  -5.996   2.864  -1.737
  290    HB3  SER  38           3HB      SER  38  -5.847   1.187  -1.212
  291    HG   SER  38           HG       SER  38  -6.709   2.369   0.474
  292    H    LYS  39           H        LYS  39  -4.237   4.109  -3.002
  293    HA   LYS  39           HA       LYS  39  -3.154   6.254  -1.203
  294    HB2  LYS  39           2HB      LYS  39  -1.468   5.844  -2.890
  295    HB3  LYS  39           3HB      LYS  39  -2.675   5.909  -4.182
  296    HG2  LYS  39           2HG      LYS  39  -3.055   8.281  -3.810
  297    HG3  LYS  39           3HG      LYS  39  -1.995   8.285  -2.382
  298    HD2  LYS  39           2HD      LYS  39  -0.046   7.843  -3.733
  299    HD3  LYS  39           3HD      LYS  39  -1.051   7.470  -5.145
  300    HE2  LYS  39           2HE      LYS  39  -0.397   9.539  -5.754
  301    HE3  LYS  39           3HE      LYS  39  -1.897   9.939  -4.917
  302    HZ1  LYS  39           3HZ      LYS  39   0.825  10.067  -3.742
  303    HZ2  LYS  39           1HZ      LYS  39  -0.035  11.364  -4.248
  304    HZ3  LYS  39           2HZ      LYS  39  -0.571  10.526  -2.961
  305    H    LYS  40           H        LYS  40  -4.356   8.047  -1.010
  306    HA   LYS  40           HA       LYS  40  -6.995   8.184  -2.348
  307    HB2  LYS  40           2HB      LYS  40  -7.134   8.542  -0.069
  308    HB3  LYS  40           3HB      LYS  40  -5.762   9.610   0.000
  309    HG2  LYS  40           2HG      LYS  40  -8.341  10.306  -1.536
  310    HG3  LYS  40           3HG      LYS  40  -8.169  10.578   0.192
  311    HD2  LYS  40           2HD      LYS  40  -6.775  11.994  -2.062
  312    HD3  LYS  40           3HD      LYS  40  -7.733  12.667  -0.751
  313    HE2  LYS  40           2HE      LYS  40  -5.921  12.156   0.867
  314    HE3  LYS  40           3HE      LYS  40  -4.996  11.369  -0.420
  315    HZ1  LYS  40           3HZ      LYS  40  -4.988  13.545  -1.585
  316    HZ2  LYS  40           1HZ      LYS  40  -5.533  14.256  -0.200
  317    HZ3  LYS  40           2HZ      LYS  40  -4.086  13.446  -0.254
  318    H    MET  41           H        MET  41  -6.989   8.976  -4.336
  319    HA   MET  41           HA       MET  41  -5.864  11.618  -4.882
  320    HB2  MET  41           2HB      MET  41  -4.464  10.926  -6.782
  321    HB3  MET  41           3HB      MET  41  -3.849  10.345  -5.242
  322    HG2  MET  41           2HG      MET  41  -4.846   8.105  -5.702
  323    HG3  MET  41           3HG      MET  41  -5.397   8.694  -7.275
  324    HE1  MET  41           3HE      MET  41  -3.745   6.118  -6.703
  325    HE2  MET  41           1HE      MET  41  -4.214   6.595  -8.354
  326    HE3  MET  41           2HE      MET  41  -2.531   6.129  -8.007
  327    H    VAL  42           H        VAL  42  -6.863  12.636  -6.677
  328    HA   VAL  42           HA       VAL  42  -9.081  11.547  -7.985
  329    HB   VAL  42           HB       VAL  42  -7.044  13.511  -9.116
  330   HG11  VAL  42          1HG1      VAL  42  -9.896  12.895 -10.003
  331   HG12  VAL  42          2HG1      VAL  42  -8.924  14.268 -10.576
  332   HG13  VAL  42          3HG1      VAL  42  -8.401  12.626 -10.939
  333   HG21  VAL  42          3HG2      VAL  42  -8.677  15.251  -8.440
  334   HG22  VAL  42          1HG2      VAL  42  -9.679  14.010  -7.663
  335   HG23  VAL  42          2HG2      VAL  42  -8.050  14.374  -7.048
  336    H    ASP  43           H        ASP  43  -9.333   9.984  -9.481
  337    HA   ASP  43           HA       ASP  43  -7.144   8.294 -10.187
  338    HB2  ASP  43           2HB      ASP  43  -9.509   7.587  -9.879
  339    HB3  ASP  43           3HB      ASP  43  -9.931   8.412 -11.377
  340    HA   PRO  44           HA       PRO  44  -5.760  10.840 -13.589
  341    HB2  PRO  44           2HB      PRO  44  -3.690   9.297 -14.548
  342    HB3  PRO  44           3HB      PRO  44  -3.620  10.177 -12.991
  343    HG2  PRO  44           2HG      PRO  44  -4.370   7.263 -13.439
  344    HG3  PRO  44           3HG      PRO  44  -3.175   7.929 -12.275
  345    HD2  PRO  44           2HD      PRO  44  -5.695   7.319 -11.529
  346    HD3  PRO  44           3HD      PRO  44  -4.875   8.772 -10.880
  347    H    GLU  45           H        GLU  45  -7.164   7.715 -14.015
  348    HA   GLU  45           HA       GLU  45  -7.360   7.960 -16.989
  349    HB2  GLU  45           2HB      GLU  45  -8.001   5.645 -15.117
  350    HB3  GLU  45           3HB      GLU  45  -8.092   5.611 -16.872
  351    HG2  GLU  45           2HG      GLU  45  -5.702   5.811 -17.103
  352    HG3  GLU  45           3HG      GLU  45  -5.482   6.171 -15.394
  353    H    LYS  46           H        LYS  46  -9.062   8.601 -14.125
  354    HA   LYS  46           HA       LYS  46 -11.694   8.951 -15.455
  355    HB2  LYS  46           2HB      LYS  46 -11.201   7.224 -13.003
  356    HB3  LYS  46           3HB      LYS  46 -12.794   7.810 -13.498
  357    HG2  LYS  46           2HG      LYS  46 -12.615   6.587 -15.623
  358    HG3  LYS  46           3HG      LYS  46 -11.052   5.909 -15.115
  359    HD2  LYS  46           2HD      LYS  46 -13.601   5.646 -13.469
  360    HD3  LYS  46           3HD      LYS  46 -13.113   4.457 -14.698
  361    HE2  LYS  46           2HE      LYS  46 -10.940   4.134 -13.495
  362    HE3  LYS  46           3HE      LYS  46 -11.482   5.245 -12.236
  363    HZ1  LYS  46           3HZ      LYS  46 -11.901   2.957 -11.594
  364    HZ2  LYS  46           1HZ      LYS  46 -13.341   3.701 -11.794
  365    HZ3  LYS  46           2HZ      LYS  46 -12.790   2.669 -12.934
  366    HA   PRO  47           HA       PRO  47 -10.232  12.176 -12.325
  367    HB2  PRO  47           2HB      PRO  47 -10.487  14.433 -13.930
  368    HB3  PRO  47           3HB      PRO  47  -9.007  13.444 -13.759
  369    HG2  PRO  47           2HG      PRO  47 -11.133  13.256 -15.914
  370    HG3  PRO  47           3HG      PRO  47  -9.346  13.281 -16.109
  371    HD2  PRO  47           2HD      PRO  47 -10.710  10.966 -16.166
  372    HD3  PRO  47           3HD      PRO  47  -9.134  11.073 -15.326
  373    H    GLN  48           H        GLN  48 -13.078  11.798 -14.292
  374    HA   GLN  48           HA       GLN  48 -14.798  13.752 -13.097
  375    HB2  GLN  48           2HB      GLN  48 -15.391  11.085 -14.447
  376    HB3  GLN  48           3HB      GLN  48 -16.611  12.288 -14.005
  377    HG2  GLN  48           2HG      GLN  48 -15.501  13.965 -15.468
  378    HG3  GLN  48           3HG      GLN  48 -14.320  12.752 -15.968
  379   HE21  GLN  48          2HE2      GLN  48 -15.527  13.798 -18.060
  380   HE22  GLN  48          1HE2      GLN  48 -16.808  12.756 -18.667
  381    H    LEU  49           H        LEU  49 -13.668  10.633 -11.835
  382    HA   LEU  49           HA       LEU  49 -15.665  10.189  -9.829
  383    HB2  LEU  49           2HB      LEU  49 -12.667   9.689 -10.063
  384    HB3  LEU  49           3HB      LEU  49 -13.533   9.224  -8.619
  385    HG   LEU  49           HG       LEU  49 -14.350   8.181 -11.355
  386   HD11  LEU  49          1HD1      LEU  49 -12.041   7.570 -10.894
  387   HD12  LEU  49          2HD1      LEU  49 -12.445   7.070  -9.251
  388   HD13  LEU  49          3HD1      LEU  49 -13.073   6.145 -10.642
  389   HD21  LEU  49          3HD2      LEU  49 -16.063   8.017  -9.565
  390   HD22  LEU  49          1HD2      LEU  49 -15.400   6.416  -9.931
  391   HD23  LEU  49          2HD2      LEU  49 -14.868   7.292  -8.473
  392    H    GLY  50           H        GLY  50 -13.053  12.575  -9.930
  393    HA2  GLY  50           2HA      GLY  50 -12.061  13.872  -8.262
  394    HA3  GLY  50           3HA      GLY  50 -13.347  13.433  -7.133
  395    H    MET  51           H        MET  51 -11.739  12.965  -5.551
  396    HA   MET  51           HA       MET  51  -9.573  11.211  -5.900
  397    HB2  MET  51           2HB      MET  51 -10.665  11.938  -3.189
  398    HB3  MET  51           3HB      MET  51  -9.001  11.683  -3.704
  399    HG2  MET  51           2HG      MET  51  -9.482  13.835  -5.210
  400    HG3  MET  51           3HG      MET  51 -10.799  14.083  -4.067
  401    HE1  MET  51           3HE      MET  51  -7.179  14.698  -4.934
  402    HE2  MET  51           1HE      MET  51  -6.282  14.420  -3.425
  403    HE3  MET  51           2HE      MET  51  -7.114  13.068  -4.243
  404    H    ILE  52           H        ILE  52  -9.316   9.080  -5.533
  405    HA   ILE  52           HA       ILE  52 -11.390   7.629  -3.971
  406    HB   ILE  52           HB       ILE  52 -10.978   5.645  -5.447
  407   HG12  ILE  52          2HG1      ILE  52  -9.986   7.558  -7.586
  408   HG13  ILE  52          3HG1      ILE  52  -8.842   6.754  -6.513
  409   HG21  ILE  52          1HG2      ILE  52 -12.611   6.287  -7.090
  410   HG22  ILE  52          2HG2      ILE  52 -12.994   7.025  -5.527
  411   HG23  ILE  52          3HG2      ILE  52 -12.266   8.017  -6.823
  412   HD11  ILE  52          3HD1      ILE  52  -9.715   4.550  -7.139
  413   HD12  ILE  52          1HD1      ILE  52 -10.831   5.320  -8.300
  414   HD13  ILE  52          2HD1      ILE  52  -9.076   5.462  -8.516
  415    H    ASP  53           H        ASP  53 -10.680   5.653  -3.090
  416    HA   ASP  53           HA       ASP  53  -7.851   5.660  -2.161
  417    HB2  ASP  53           2HB      ASP  53 -10.269   4.027  -1.288
  418    HB3  ASP  53           3HB      ASP  53  -8.638   3.835  -0.650
  419    H    ARG  54           H        ARG  54  -6.940   5.114  -4.191
  420    HA   ARG  54           HA       ARG  54  -7.864   2.800  -5.746
  421    HB2  ARG  54           2HB      ARG  54  -6.809   5.134  -6.472
  422    HB3  ARG  54           3HB      ARG  54  -5.269   4.270  -6.264
  423    HG2  ARG  54           2HG      ARG  54  -5.765   2.730  -7.932
  424    HG3  ARG  54           3HG      ARG  54  -7.500   3.138  -7.938
  425    HD2  ARG  54           2HD      ARG  54  -7.269   4.678  -9.481
  426    HD3  ARG  54           3HD      ARG  54  -6.011   5.513  -8.596
  427    HE   ARG  54           HE       ARG  54  -4.387   3.850  -9.603
  428   HH11  ARG  54          1HH2      ARG  54  -7.350   4.657 -11.487
  429   HH12  ARG  54          2HH2      ARG  54  -6.508   4.157 -12.950
  430   HH21  ARG  54          1HH1      ARG  54  -3.608   3.223 -11.673
  431   HH22  ARG  54          2HH1      ARG  54  -4.687   3.464 -13.045
  432    H    TRP  55           H        TRP  55  -7.226   0.726  -5.432
  433    HA   TRP  55           HA       TRP  55  -5.205   0.170  -3.392
  434    HB2  TRP  55           2HB      TRP  55  -7.162  -1.647  -4.816
  435    HB3  TRP  55           3HB      TRP  55  -6.054  -2.158  -3.553
  436    HD1  TRP  55           HD1      TRP  55  -9.346  -0.399  -4.058
  437    HE1  TRP  55           HE1      TRP  55 -10.456   0.104  -1.806
  438    HE3  TRP  55           HE3      TRP  55  -5.476  -1.657  -0.929
  439    HZ2  TRP  55           HZ2      TRP  55  -9.737   0.073   0.984
  440    HZ3  TRP  55           HZ3      TRP  55  -5.683  -1.282   1.517
  441    HH2  TRP  55           HH2      TRP  55  -7.807  -0.442   2.486
  442    H    TYR  56           H        TYR  56  -3.566  -1.330  -3.514
  443    HA   TYR  56           HA       TYR  56  -2.423  -2.267  -6.071
  444    HB2  TYR  56           2HB      TYR  56  -1.048  -0.473  -4.019
  445    HB3  TYR  56           3HB      TYR  56  -0.245  -1.258  -5.372
  446    HD1  TYR  56           HD1      TYR  56  -0.660  -0.560  -7.679
  447    HD2  TYR  56           HD2      TYR  56  -2.445   1.537  -4.377
  448    HE1  TYR  56           HE1      TYR  56  -1.227   1.349  -9.196
  449    HE2  TYR  56           HE2      TYR  56  -3.092   3.396  -5.907
  450    HH   TYR  56           HH       TYR  56  -2.153   3.394  -9.366
  451    H    HIS  57           H        HIS  57  -0.857  -3.904  -5.817
  452    HA   HIS  57           HA       HIS  57  -0.934  -5.635  -3.458
  453    HB2  HIS  57           2HB      HIS  57   0.806  -5.640  -5.932
  454    HB3  HIS  57           3HB      HIS  57   1.013  -6.806  -4.663
  455    HD2  HIS  57           HD2      HIS  57  -1.424  -8.227  -4.007
  456    HE1  HIS  57           HE1      HIS  57  -2.654  -8.295  -8.073
  457    HE2  HIS  57           HE2      HIS  57  -2.976  -9.368  -5.818
  458    HA   PRO  58           HA       PRO  58   2.689  -4.036  -1.232
  459    HB2  PRO  58           2HB      PRO  58   3.923  -6.339  -0.365
  460    HB3  PRO  58           3HB      PRO  58   2.447  -5.637   0.363
  461    HG2  PRO  58           2HG      PRO  58   2.629  -7.842  -1.713
  462    HG3  PRO  58           3HG      PRO  58   1.668  -7.821  -0.197
  463    HD2  PRO  58           2HD      PRO  58   0.507  -7.216  -2.535
  464    HD3  PRO  58           3HD      PRO  58   0.137  -6.236  -1.091
  465    H    GLY  59           H        GLY  59   3.186  -6.251  -3.922
  466    HA2  GLY  59           2HA      GLY  59   6.006  -5.422  -4.302
  467    HA3  GLY  59           3HA      GLY  59   5.034  -6.425  -5.380
  468    H    CYS  60           HN       CYS  60   2.841  -4.873  -5.978
  469    HA   CYS  60           HA       CYS  60   3.940  -3.259  -7.953
  470    HB2  CYS  60           2HB      CYS  60   1.055  -3.349  -7.031
  471    HB3  CYS  60           3HB      CYS  60   1.628  -2.824  -8.620
  472    H    PHE  61           H        PHE  61   2.407  -2.220  -4.867
  473    HA   PHE  61           HA       PHE  61   2.317   0.539  -5.578
  474    HB2  PHE  61           2HB      PHE  61   1.522   0.901  -3.538
  475    HB3  PHE  61           3HB      PHE  61   1.374  -0.846  -3.480
  476    HD1  PHE  61           HD1      PHE  61   3.262  -2.180  -2.425
  477    HD2  PHE  61           HD2      PHE  61   3.011   2.088  -2.101
  478    HE1  PHE  61           HE1      PHE  61   4.669  -2.270  -0.362
  479    HE2  PHE  61           HE2      PHE  61   4.400   2.019  -0.020
  480    HZ   PHE  61           HZ       PHE  61   5.221  -0.163   0.850
  481    H    VAL  62           H        VAL  62   5.013  -1.407  -4.331
  482    HA   VAL  62           HA       VAL  62   6.894   0.799  -4.160
  483    HB   VAL  62           HB       VAL  62   7.522  -2.143  -4.555
  484   HG11  VAL  62          1HG1      VAL  62   9.199   0.170  -3.485
  485   HG12  VAL  62          2HG1      VAL  62   9.672  -1.542  -3.482
  486   HG13  VAL  62          3HG1      VAL  62   9.463  -0.701  -5.012
  487   HG21  VAL  62          3HG2      VAL  62   6.195  -1.933  -2.554
  488   HG22  VAL  62          1HG2      VAL  62   7.868  -2.098  -2.054
  489   HG23  VAL  62          2HG2      VAL  62   7.095  -0.499  -2.023
  490    H    LYS  63           H        LYS  63   6.037  -1.475  -6.759
  491    HA   LYS  63           HA       LYS  63   8.007  -0.647  -8.660
  492    HB2  LYS  63           2HB      LYS  63   6.805  -2.770  -8.700
  493    HB3  LYS  63           3HB      LYS  63   5.280  -1.918  -8.898
  494    HG2  LYS  63           2HG      LYS  63   5.868  -1.239 -11.172
  495    HG3  LYS  63           3HG      LYS  63   7.472  -1.978 -10.987
  496    HD2  LYS  63           2HD      LYS  63   6.015  -3.516 -12.214
  497    HD3  LYS  63           3HD      LYS  63   6.419  -4.188 -10.636
  498    HE2  LYS  63           2HE      LYS  63   4.080  -2.920  -9.998
  499    HE3  LYS  63           3HE      LYS  63   3.772  -3.198 -11.699
  500    HZ1  LYS  63           3HZ      LYS  63   3.963  -5.546 -11.334
  501    HZ2  LYS  63           1HZ      LYS  63   4.633  -5.361  -9.851
  502    HZ3  LYS  63           2HZ      LYS  63   3.075  -4.998 -10.051
  503    H    ASN  64           H        ASN  64   4.781   0.697  -7.982
  504    HA   ASN  64           HA       ASN  64   5.349   2.940  -9.864
  505    HB2  ASN  64           2HB      ASN  64   2.757   3.307  -9.511
  506    HB3  ASN  64           3HB      ASN  64   3.462   2.359 -10.800
  507   HD21  ASN  64          1HD2      ASN  64   1.867   2.053  -7.581
  508   HD22  ASN  64          2HD2      ASN  64   1.199   0.480  -8.020
  509    H    ARG  65           H        ARG  65   6.235   2.505  -6.904
  510    HA   ARG  65           HA       ARG  65   5.088   4.359  -5.257
  511    HB2  ARG  65           2HB      ARG  65   7.194   4.439  -4.082
  512    HB3  ARG  65           3HB      ARG  65   7.037   2.840  -4.766
  513    HG2  ARG  65           2HG      ARG  65   8.476   3.656  -6.734
  514    HG3  ARG  65           3HG      ARG  65   8.758   5.138  -5.802
  515    HD2  ARG  65           2HD      ARG  65   9.819   3.932  -4.040
  516    HD3  ARG  65           3HD      ARG  65   9.418   2.363  -4.761
  517    HE   ARG  65           HE       ARG  65  11.608   4.151  -5.472
  518   HH11  ARG  65          1HH2      ARG  65   9.621   1.562  -6.805
  519   HH12  ARG  65          2HH2      ARG  65  10.864   1.111  -7.945
  520   HH21  ARG  65          1HH1      ARG  65  13.106   3.515  -6.970
  521   HH22  ARG  65          2HH1      ARG  65  12.762   2.192  -8.042
  522    H    GLU  66           H        GLU  66   7.219   5.103  -7.939
  523    HA   GLU  66           HA       GLU  66   7.471   7.918  -7.282
  524    HB2  GLU  66           2HB      GLU  66   8.753   8.033  -9.383
  525    HB3  GLU  66           3HB      GLU  66   9.326   6.794  -8.257
  526    HG2  GLU  66           2HG      GLU  66   8.281   5.022  -9.568
  527    HG3  GLU  66           3HG      GLU  66   7.544   6.202 -10.658
  528    H    GLU  67           H        GLU  67   5.223   6.032  -9.159
  529    HA   GLU  67           HA       GLU  67   3.932   8.358 -10.400
  530    HB2  GLU  67           2HB      GLU  67   3.942   6.127 -11.482
  531    HB3  GLU  67           3HB      GLU  67   2.955   5.500 -10.156
  532    HG2  GLU  67           2HG      GLU  67   1.136   7.035 -10.721
  533    HG3  GLU  67           3HG      GLU  67   2.140   7.829 -11.938
  534    H    LEU  68           H        LEU  68   3.483   6.186  -7.583
  535    HA   LEU  68           HA       LEU  68   1.232   7.632  -6.465
  536    HB2  LEU  68           2HB      LEU  68   3.244   5.757  -5.175
  537    HB3  LEU  68           3HB      LEU  68   1.743   6.291  -4.432
  538    HG   LEU  68           HG       LEU  68   1.965   4.564  -6.939
  539   HD11  LEU  68          1HD1      LEU  68   1.064   2.788  -5.493
  540   HD12  LEU  68          2HD1      LEU  68   2.616   3.392  -4.879
  541   HD13  LEU  68          3HD1      LEU  68   1.100   3.888  -4.102
  542   HD21  LEU  68          3HD2      LEU  68  -0.106   5.954  -6.953
  543   HD22  LEU  68          1HD2      LEU  68  -0.401   4.231  -6.790
  544   HD23  LEU  68          2HD2      LEU  68  -0.528   5.263  -5.359
  545    H    GLY  69           H        GLY  69   4.626   8.376  -6.483
  546    HA2  GLY  69           2HA      GLY  69   5.397  10.564  -6.121
  547    HA3  GLY  69           3HA      GLY  69   3.971  10.941  -5.156
  548    H    PHE  70           H        PHE  70   5.738   8.033  -4.343
  549    HA   PHE  70           HA       PHE  70   6.367   8.873  -1.669
  550    HB2  PHE  70           2HB      PHE  70   7.128   6.531  -3.408
  551    HB3  PHE  70           3HB      PHE  70   7.942   6.779  -1.886
  552    HD1  PHE  70           HD2      PHE  70   4.561   6.133  -3.361
  553    HD2  PHE  70           HD1      PHE  70   6.982   6.240   0.205
  554    HE1  PHE  70           HE2      PHE  70   2.826   4.846  -2.142
  555    HE2  PHE  70           HE1      PHE  70   5.243   4.970   1.424
  556    HZ   PHE  70           HZ       PHE  70   3.171   4.254   0.246
  557    H    ARG  71           H        ARG  71   8.158   9.531  -0.720
  558    HA   ARG  71           HA       ARG  71  10.777   9.754  -2.086
  559    HB2  ARG  71           2HB      ARG  71   9.414  11.920  -0.416
  560    HB3  ARG  71           3HB      ARG  71  11.106  11.958  -0.903
  561    HG2  ARG  71           2HG      ARG  71  10.490  12.091  -3.266
  562    HG3  ARG  71           3HG      ARG  71   8.763  11.968  -2.859
  563    HD2  ARG  71           2HD      ARG  71   8.879  14.009  -1.537
  564    HD3  ARG  71           3HD      ARG  71  10.610  14.157  -1.843
  565    HE   ARG  71           HE       ARG  71  10.045  14.358  -4.291
  566   HH11  ARG  71          1HH2      ARG  71   7.559  15.361  -2.007
  567   HH12  ARG  71          2HH2      ARG  71   6.976  16.599  -3.083
  568   HH21  ARG  71          1HH1      ARG  71   9.184  15.897  -5.611
  569   HH22  ARG  71          2HH1      ARG  71   7.843  16.861  -5.071
  570    HA   PRO  72           HA       PRO  72  12.235   7.842   1.622
  571    HB2  PRO  72           2HB      PRO  72  14.308  10.015   1.894
  572    HB3  PRO  72           3HB      PRO  72  14.516   8.241   1.976
  573    HG2  PRO  72           2HG      PRO  72  15.180   9.574  -0.296
  574    HG3  PRO  72           3HG      PRO  72  14.273   8.030  -0.409
  575    HD2  PRO  72           2HD      PRO  72  13.189  10.859  -0.575
  576    HD3  PRO  72           3HD      PRO  72  12.826   9.446  -1.610
  577    H    GLU  73           H        GLU  73  11.746  11.377   1.890
  578    HA   GLU  73           HA       GLU  73  11.679  11.455   4.754
  579    HB2  GLU  73           2HB      GLU  73  10.735  13.666   4.491
  580    HB3  GLU  73           3HB      GLU  73  12.040  13.428   3.330
  581    HG2  GLU  73           2HG      GLU  73  10.318  12.938   1.558
  582    HG3  GLU  73           3HG      GLU  73   9.052  13.299   2.731
  583    H    TYR  74           H        TYR  74   9.405  10.075   2.597
  584    HA   TYR  74           HA       TYR  74   7.738   9.405   4.869
  585    HB2  TYR  74           2HB      TYR  74   5.601   9.922   3.525
  586    HB3  TYR  74           3HB      TYR  74   6.415  11.170   4.425
  587    HD1  TYR  74           HD1      TYR  74   6.986   9.851   0.930
  588    HD2  TYR  74           HD2      TYR  74   6.078  13.224   3.449
  589    HE1  TYR  74           HE1      TYR  74   6.841  11.326  -1.079
  590    HE2  TYR  74           HE2      TYR  74   5.984  14.698   1.440
  591    HH   TYR  74           HH       TYR  74   6.302  13.363  -1.872
  592    H    SER  75           H        SER  75   9.186   7.632   4.277
  593    HA   SER  75           HA       SER  75   8.818   5.753   2.245
  594    HB2  SER  75           2HB      SER  75   9.938   4.280   3.791
  595    HB3  SER  75           3HB      SER  75  10.580   5.912   4.030
  596    HG   SER  75           HG       SER  75  10.112   4.957   6.033
  597    H    ALA  76           H        ALA  76   8.159   3.389   2.978
  598    HA   ALA  76           HA       ALA  76   5.361   3.073   3.152
  599    HB1  ALA  76           1HB      ALA  76   7.579   1.165   4.007
  600    HB2  ALA  76           2HB      ALA  76   5.894   0.739   3.627
  601    HB3  ALA  76           3HB      ALA  76   6.952   1.361   2.352
  602    H    SER  77           H        SER  77   7.514   3.895   5.797
  603    HA   SER  77           HA       SER  77   5.922   2.879   7.968
  604    HB2  SER  77           2HB      SER  77   7.075   4.484   9.351
  605    HB3  SER  77           3HB      SER  77   8.249   3.783   8.227
  606    HG   SER  77           HG       SER  77   8.258   5.656   7.057
  607    H    GLN  78           H        GLN  78   5.481   5.602   5.793
  608    HA   GLN  78           HA       GLN  78   3.605   6.964   7.519
  609    HB2  GLN  78           2HB      GLN  78   4.694   7.703   4.782
  610    HB3  GLN  78           3HB      GLN  78   3.695   8.730   5.800
  611    HG2  GLN  78           2HG      GLN  78   6.516   7.795   6.408
  612    HG3  GLN  78           3HG      GLN  78   5.955   9.431   6.053
  613   HE21  GLN  78          2HE2      GLN  78   6.674   7.304   8.617
  614   HE22  GLN  78          1HE2      GLN  78   5.828   8.257   9.866
  615    H    LEU  79           H        LEU  79   2.843   4.322   6.278
  616    HA   LEU  79           HA       LEU  79   0.395   5.102   4.766
  617    HB2  LEU  79           2HB      LEU  79   1.632   2.430   5.490
  618    HB3  LEU  79           3HB      LEU  79   0.094   2.613   4.660
  619    HG   LEU  79           HG       LEU  79   2.582   3.824   3.434
  620   HD11  LEU  79          1HD1      LEU  79   3.098   1.802   2.226
  621   HD12  LEU  79          2HD1      LEU  79   3.172   1.431   3.953
  622   HD13  LEU  79          3HD1      LEU  79   1.778   0.921   3.004
  623   HD21  LEU  79          3HD2      LEU  79   0.210   2.426   2.148
  624   HD22  LEU  79          1HD2      LEU  79   0.240   4.147   2.534
  625   HD23  LEU  79          2HD2      LEU  79   1.401   3.486   1.377
  626    H    LYS  80           H        LYS  80  -1.571   5.205   5.688
  627    HA   LYS  80           HA       LYS  80  -2.058   5.107   8.470
  628    HB2  LYS  80           2HB      LYS  80  -4.099   4.510   6.273
  629    HB3  LYS  80           3HB      LYS  80  -4.461   4.928   7.947
  630    HG2  LYS  80           2HG      LYS  80  -3.269   7.106   7.597
  631    HG3  LYS  80           3HG      LYS  80  -3.148   6.703   5.870
  632    HD2  LYS  80           2HD      LYS  80  -5.730   7.025   7.471
  633    HD3  LYS  80           3HD      LYS  80  -5.022   8.249   6.410
  634    HE2  LYS  80           2HE      LYS  80  -5.260   6.714   4.469
  635    HE3  LYS  80           3HE      LYS  80  -5.999   5.498   5.524
  636    HZ1  LYS  80           3HZ      LYS  80  -7.684   6.810   4.362
  637    HZ2  LYS  80           1HZ      LYS  80  -7.804   7.071   5.967
  638    HZ3  LYS  80           2HZ      LYS  80  -7.124   8.201   5.004
  639    H    GLY  81           H        GLY  81  -2.355   3.486   9.909
  640    HA2  GLY  81           2HA      GLY  81  -2.874   1.403  10.789
  641    HA3  GLY  81           3HA      GLY  81  -3.520   0.921   9.221
  642    H    PHE  82           H        PHE  82  -0.268   1.911   8.783
  643    HA   PHE  82           HA       PHE  82   0.791  -0.611   8.107
  644    HB2  PHE  82           2HB      PHE  82   1.872   1.330   7.336
  645    HB3  PHE  82           3HB      PHE  82   1.923   2.073   8.924
  646    HD1  PHE  82           HD2      PHE  82   3.657  -0.282   6.652
  647    HD2  PHE  82           HD1      PHE  82   3.637   1.610  10.527
  648    HE1  PHE  82           HE2      PHE  82   6.039  -0.893   6.971
  649    HE2  PHE  82           HE1      PHE  82   6.018   0.969  10.853
  650    HZ   PHE  82           HZ       PHE  82   7.214  -0.292   9.069
  651    H    SER  83           H        SER  83   1.081   1.188  11.199
  652    HA   SER  83           HA       SER  83   2.635  -0.631  12.635
  653    HB2  SER  83           2HB      SER  83   0.461   1.226  13.667
  654    HB3  SER  83           3HB      SER  83   1.799   0.546  14.622
  655    HG   SER  83           HG       SER  83   2.271   2.666  13.879
  656    H    LEU  84           H        LEU  84  -0.730  -0.996  11.798
  657    HA   LEU  84           HA       LEU  84  -1.366  -2.837  14.011
  658    HB2  LEU  84           2HB      LEU  84  -3.038  -2.008  11.612
  659    HB3  LEU  84           3HB      LEU  84  -3.603  -2.848  13.048
  660    HG   LEU  84           HG       LEU  84  -2.565   0.022  12.963
  661   HD11  LEU  84          1HD1      LEU  84  -4.892   0.627  13.419
  662   HD12  LEU  84          2HD1      LEU  84  -4.772  -0.292  11.909
  663   HD13  LEU  84          3HD1      LEU  84  -5.368  -1.086  13.382
  664   HD21  LEU  84          3HD2      LEU  84  -3.741  -1.580  15.277
  665   HD22  LEU  84          1HD2      LEU  84  -2.072  -0.976  15.156
  666   HD23  LEU  84          2HD2      LEU  84  -3.413   0.168  15.292
  667    H    LEU  85           H        LEU  85   0.122  -3.163  10.971
  668    HA   LEU  85           HA       LEU  85  -0.778  -5.881  10.332
  669    HB2  LEU  85           2HB      LEU  85   1.752  -4.409   9.531
  670    HB3  LEU  85           3HB      LEU  85   1.118  -5.855   8.770
  671    HG   LEU  85           HG       LEU  85  -0.297  -3.147   8.725
  672   HD11  LEU  85          1HD1      LEU  85   0.486  -3.018   6.398
  673   HD12  LEU  85          2HD1      LEU  85   1.852  -3.079   7.522
  674   HD13  LEU  85          3HD1      LEU  85   1.394  -4.531   6.604
  675   HD21  LEU  85          3HD2      LEU  85  -1.837  -5.047   8.401
  676   HD22  LEU  85          1HD2      LEU  85  -1.623  -4.092   6.923
  677   HD23  LEU  85          2HD2      LEU  85  -0.786  -5.645   7.095
  678    H    ALA  86           H        ALA  86   0.825  -7.742  10.362
  679    HA   ALA  86           HA       ALA  86   2.148  -8.136  12.890
  680    HB1  ALA  86           1HB      ALA  86   2.339  -9.575  10.213
  681    HB2  ALA  86           2HB      ALA  86   3.110 -10.140  11.716
  682    HB3  ALA  86           3HB      ALA  86   1.346 -10.028  11.617
  683    H    THR  87           H        THR  87   4.328  -8.050  13.431
  684    HA   THR  87           HA       THR  87   5.819  -5.888  12.493
  685    HB   THR  87           HB       THR  87   6.901  -8.346  13.886
  686    HG1  THR  87           1HG      THR  87   6.291  -7.244  15.767
  687   HG21  THR  87          1HG2      THR  87   8.699  -6.772  13.256
  688   HG22  THR  87          2HG2      THR  87   7.784  -5.416  13.951
  689   HG23  THR  87          3HG2      THR  87   8.427  -6.701  15.000
  690    H    GLU  88           H        GLU  88   6.094  -9.302  11.454
  691    HA   GLU  88           HA       GLU  88   8.439  -8.953   9.848
  692    HB2  GLU  88           2HB      GLU  88   7.855 -11.057   8.824
  693    HB3  GLU  88           3HB      GLU  88   7.637 -11.135  10.571
  694    HG2  GLU  88           2HG      GLU  88   5.159 -10.800  10.234
  695    HG3  GLU  88           3HG      GLU  88   5.427 -10.853   8.489
  696    H    ASP  89           H        ASP  89   5.050  -8.146   9.166
  697    HA   ASP  89           HA       ASP  89   5.606  -7.629   6.308
  698    HB2  ASP  89           2HB      ASP  89   3.147  -7.211   8.035
  699    HB3  ASP  89           3HB      ASP  89   3.271  -6.677   6.364
  700    H    LYS  90           H        LYS  90   5.192  -5.726   9.314
  701    HA   LYS  90           HA       LYS  90   5.527  -3.114   8.146
  702    HB2  LYS  90           2HB      LYS  90   6.118  -4.271  10.892
  703    HB3  LYS  90           3HB      LYS  90   6.467  -2.585  10.514
  704    HG2  LYS  90           2HG      LYS  90   4.294  -1.949  10.498
  705    HG3  LYS  90           3HG      LYS  90   3.758  -3.403   9.673
  706    HD2  LYS  90           2HD      LYS  90   2.711  -3.348  11.808
  707    HD3  LYS  90           3HD      LYS  90   3.868  -4.671  11.790
  708    HE2  LYS  90           2HE      LYS  90   5.464  -3.325  13.103
  709    HE3  LYS  90           3HE      LYS  90   4.356  -1.944  13.042
  710    HZ1  LYS  90           3HZ      LYS  90   4.119  -3.198  15.126
  711    HZ2  LYS  90           1HZ      LYS  90   2.723  -3.247  14.270
  712    HZ3  LYS  90           2HZ      LYS  90   3.708  -4.555  14.312
  713    H    GLU  91           H        GLU  91   7.977  -5.456   9.282
  714    HA   GLU  91           HA       GLU  91  10.237  -3.822   8.493
  715    HB2  GLU  91           2HB      GLU  91   9.937  -6.817   8.921
  716    HB3  GLU  91           3HB      GLU  91  11.469  -6.030   8.547
  717    HG2  GLU  91           2HG      GLU  91   9.757  -5.406  10.993
  718    HG3  GLU  91           3HG      GLU  91  11.142  -6.487  10.975
  719    H    ALA  92           H        ALA  92   8.518  -6.510   6.758
  720    HA   ALA  92           HA       ALA  92  10.196  -6.434   4.491
  721    HB1  ALA  92           1HB      ALA  92   7.302  -7.312   4.723
  722    HB2  ALA  92           2HB      ALA  92   8.423  -7.734   3.408
  723    HB3  ALA  92           3HB      ALA  92   8.747  -8.304   5.055
  724    H    LEU  93           H        LEU  93   7.290  -4.451   5.138
  725    HA   LEU  93           HA       LEU  93   7.110  -3.308   2.488
  726    HB2  LEU  93           2HB      LEU  93   6.178  -2.422   5.239
  727    HB3  LEU  93           3HB      LEU  93   5.851  -1.483   3.787
  728    HG   LEU  93           HG       LEU  93   4.932  -4.367   4.121
  729   HD11  LEU  93          1HD1      LEU  93   3.903  -2.897   5.816
  730   HD12  LEU  93          2HD1      LEU  93   3.415  -1.755   4.541
  731   HD13  LEU  93          3HD1      LEU  93   2.722  -3.390   4.596
  732   HD21  LEU  93          3HD2      LEU  93   3.386  -3.801   2.293
  733   HD22  LEU  93          1HD2      LEU  93   4.115  -2.186   2.163
  734   HD23  LEU  93          2HD2      LEU  93   5.066  -3.638   1.772
  735    H    LYS  94           H        LYS  94   8.817  -2.190   5.467
  736    HA   LYS  94           HA       LYS  94  10.031   0.122   4.208
  737    HB2  LYS  94           2HB      LYS  94  10.824  -1.531   6.632
  738    HB3  LYS  94           3HB      LYS  94  11.612  -0.024   6.156
  739    HG2  LYS  94           2HG      LYS  94   9.498   1.220   6.426
  740    HG3  LYS  94           3HG      LYS  94   8.665  -0.257   6.914
  741    HD2  LYS  94           2HD      LYS  94  10.999   1.048   8.387
  742    HD3  LYS  94           3HD      LYS  94   9.295   1.123   8.865
  743    HE2  LYS  94           2HE      LYS  94   9.258  -1.359   9.116
  744    HE3  LYS  94           3HE      LYS  94  10.955  -1.431   8.643
  745    HZ1  LYS  94           3HZ      LYS  94   9.920  -0.150  11.104
  746    HZ2  LYS  94           1HZ      LYS  94  10.802  -1.537  10.977
  747    HZ3  LYS  94           2HZ      LYS  94  11.489  -0.098  10.620
  748    H    LYS  95           H        LYS  95  11.093  -3.278   4.604
  749    HA   LYS  95           HA       LYS  95  13.709  -2.931   3.578
  750    HB2  LYS  95           2HB      LYS  95  11.828  -5.303   3.601
  751    HB3  LYS  95           3HB      LYS  95  13.401  -5.446   2.858
  752    HG2  LYS  95           2HG      LYS  95  13.019  -4.538   5.742
  753    HG3  LYS  95           3HG      LYS  95  13.231  -6.220   5.275
  754    HD2  LYS  95           2HD      LYS  95  15.260  -3.992   4.790
  755    HD3  LYS  95           3HD      LYS  95  15.304  -5.173   6.101
  756    HE2  LYS  95           2HE      LYS  95  15.422  -7.022   4.425
  757    HE3  LYS  95           3HE      LYS  95  15.460  -5.825   3.125
  758    HZ1  LYS  95           3HZ      LYS  95  17.697  -6.545   3.720
  759    HZ2  LYS  95           1HZ      LYS  95  17.536  -4.960   4.069
  760    HZ3  LYS  95           2HZ      LYS  95  17.504  -6.070   5.269
  761    H    GLN  96           H        GLN  96  10.742  -2.974   1.811
  762    HA   GLN  96           HA       GLN  96  12.130  -3.113  -0.825
  763    HB2  GLN  96           2HB      GLN  96   9.196  -3.217  -0.041
  764    HB3  GLN  96           3HB      GLN  96   9.802  -3.247  -1.706
  765    HG2  GLN  96           2HG      GLN  96  10.929  -5.346  -1.383
  766    HG3  GLN  96           3HG      GLN  96  10.632  -5.328   0.356
  767   HE21  GLN  96          2HE2      GLN  96   8.407  -5.539   1.131
  768   HE22  GLN  96          1HE2      GLN  96   7.226  -6.376   0.111
  769    H    LEU  97           H        LEU  97  10.225  -0.877   1.217
  770    HA   LEU  97           HA       LEU  97  11.139   1.377  -0.494
  771    HB2  LEU  97           2HB      LEU  97   8.923   0.726  -1.169
  772    HB3  LEU  97           3HB      LEU  97   8.308   0.847   0.470
  773    HG   LEU  97           HG       LEU  97   8.348   3.222   0.440
  774   HD11  LEU  97          1HD1      LEU  97   9.354   4.533  -1.461
  775   HD12  LEU  97          2HD1      LEU  97  10.544   3.738  -0.430
  776   HD13  LEU  97          3HD1      LEU  97  10.142   3.030  -2.009
  777   HD21  LEU  97          3HD2      LEU  97   6.612   2.184  -0.969
  778   HD22  LEU  97          1HD2      LEU  97   7.088   3.763  -1.603
  779   HD23  LEU  97          2HD2      LEU  97   7.680   2.286  -2.382
  780    HA   PRO  98           HA       PRO  98  11.942   2.195   3.962
  781    HB2  PRO  98           2HB      PRO  98  14.683   2.379   3.939
  782    HB3  PRO  98           3HB      PRO  98  13.798   0.843   4.045
  783    HG2  PRO  98           2HG      PRO  98  15.188   2.057   1.678
  784    HG3  PRO  98           3HG      PRO  98  14.939   0.328   2.089
  785    HD2  PRO  98           2HD      PRO  98  13.433   1.871   0.241
  786    HD3  PRO  98           3HD      PRO  98  13.042   0.253   0.879
  787    H    GLY  99           H        GLY  99  12.646   4.215   5.043
  788    HA2  GLY  99           2HA      GLY  99  14.286   6.154   3.688
  789    HA3  GLY  99           3HA      GLY  99  12.611   6.680   3.757
  790    H    VAL 100           H        VAL 100  13.245   8.397   5.016
  791    HA   VAL 100           HA       VAL 100  13.818   9.731   6.696
  792    HB   VAL 100           HB       VAL 100  12.481   7.575   8.308
  793   HG11  VAL 100          1HG1      VAL 100  12.822  10.554   8.874
  794   HG12  VAL 100          2HG1      VAL 100  11.786   9.446   9.800
  795   HG13  VAL 100          3HG1      VAL 100  13.529   9.213   9.812
  796   HG21  VAL 100          3HG2      VAL 100  11.355   9.975   6.802
  797   HG22  VAL 100          1HG2      VAL 100  11.072   8.267   6.421
  798   HG23  VAL 100          2HG2      VAL 100  10.421   8.946   7.914
  799    H    LYS 101           H        LYS 101  15.638  10.347   7.488
  800    HA   LYS 101           HA       LYS 101  17.663   8.496   8.574
  801    HB2  LYS 101           2HB      LYS 101  17.636  11.440   7.904
  802    HB3  LYS 101           3HB      LYS 101  18.906  10.771   8.937
  803    HG2  LYS 101           2HG      LYS 101  19.567   9.149   7.294
  804    HG3  LYS 101           3HG      LYS 101  18.272   9.637   6.189
  805    HD2  LYS 101           2HD      LYS 101  20.540  11.463   7.118
  806    HD3  LYS 101           3HD      LYS 101  20.556  10.530   5.618
  807    HE2  LYS 101           2HE      LYS 101  18.486  11.706   4.864
  808    HE3  LYS 101           3HE      LYS 101  18.522  12.686   6.336
  809    HZ1  LYS 101           3HZ      LYS 101  19.553  13.871   4.508
  810    HZ2  LYS 101           1HZ      LYS 101  20.708  13.539   5.611
  811    HZ3  LYS 101           2HZ      LYS 101  20.620  12.677   4.215
  812    H    SER 102           H        SER 102  15.895   7.840  10.108
  813    HA   SER 102           HA       SER 102  15.607   9.206  12.622
  814    HB2  SER 102           2HB      SER 102  15.576   6.245  11.949
  815    HB3  SER 102           3HB      SER 102  15.007   6.960  13.474
  816    HG   SER 102           HG       SER 102  13.392   6.520  11.765
  817    H    GLU 103           H        GLU 103  18.228   7.354  11.223
  818    HA   GLU 103           HA       GLU 103  19.909   7.857  13.644
  819    HB2  GLU 103           2HB      GLU 103  20.424   5.724  11.536
  820    HB3  GLU 103           3HB      GLU 103  21.325   6.035  13.007
  821    HG2  GLU 103           2HG      GLU 103  20.078   4.112  13.469
  822    HG3  GLU 103           3HG      GLU 103  19.271   5.411  14.343
  823    H    GLY 104           H        GLY 104  21.788   9.007  13.324
  824    HA2  GLY 104           2HA      GLY 104  22.320  10.355  10.796
  825    HA3  GLY 104           3HA      GLY 104  23.288  10.424  12.271
  826    H    LYS 105           H        LYS 105  22.858   7.205  11.533
  827    HA   LYS 105           HA       LYS 105  25.675   6.897  10.711
  828    HB2  LYS 105           2HB      LYS 105  23.557   4.869  11.553
  829    HB3  LYS 105           3HB      LYS 105  25.255   4.501  11.230
  830    HG2  LYS 105           2HG      LYS 105  25.945   6.037  13.061
  831    HG3  LYS 105           3HG      LYS 105  24.238   6.350  13.433
  832    HD2  LYS 105           2HD      LYS 105  23.889   3.940  13.903
  833    HD3  LYS 105           3HD      LYS 105  25.598   3.621  13.532
  834    HE2  LYS 105           2HE      LYS 105  26.276   5.163  15.364
  835    HE3  LYS 105           3HE      LYS 105  24.575   5.465  15.740
  836    HZ1  LYS 105           3HZ      LYS 105  25.915   2.818  15.926
  837    HZ2  LYS 105           1HZ      LYS 105  25.512   3.761  17.193
  838    HZ3  LYS 105           2HZ      LYS 105  24.342   3.095  16.274
  839    H    ARG 106           H        ARG 106  22.744   7.040   9.052
  840    HA   ARG 106           HA       ARG 106  23.257   5.025   7.015
  841    HB2  ARG 106           2HB      ARG 106  21.255   7.320   7.016
  842    HB3  ARG 106           3HB      ARG 106  21.252   5.919   5.941
  843    HG2  ARG 106           2HG      ARG 106  20.964   4.434   7.987
  844    HG3  ARG 106           3HG      ARG 106  20.742   5.916   8.946
  845    HD2  ARG 106           2HD      ARG 106  18.896   6.578   7.355
  846    HD3  ARG 106           3HD      ARG 106  19.075   4.995   6.574
  847    HE   ARG 106           HE       ARG 106  18.600   4.820   9.473
  848   HH11  ARG 106          1HH2      ARG 106  16.939   5.099   6.405
  849   HH12  ARG 106          2HH2      ARG 106  15.383   4.908   7.161
  850   HH21  ARG 106          1HH1      ARG 106  16.745   4.311  10.280
  851   HH22  ARG 106          2HH1      ARG 106  15.277   4.206   9.292
  852    H    LYS 107           H        LYS 107  24.599   8.068   7.417
  853    HA   LYS 107           HA       LYS 107  24.533   9.215   4.823
  854    HB2  LYS 107           2HB      LYS 107  26.586   9.552   7.042
  855    HB3  LYS 107           3HB      LYS 107  26.438  10.593   5.622
  856    HG2  LYS 107           2HG      LYS 107  24.176  11.286   6.304
  857    HG3  LYS 107           3HG      LYS 107  24.244  10.212   7.714
  858    HD2  LYS 107           2HD      LYS 107  26.219  11.468   8.569
  859    HD3  LYS 107           3HD      LYS 107  26.104  12.571   7.180
  860    HE2  LYS 107           2HE      LYS 107  23.808  13.213   7.894
  861    HE3  LYS 107           3HE      LYS 107  23.929  12.109   9.273
  862    HZ1  LYS 107           3HZ      LYS 107  25.682  14.469   8.825
  863    HZ2  LYS 107           1HZ      LYS 107  24.471  14.391   9.914
  864    HZ3  LYS 107           2HZ      LYS 107  25.791  13.451  10.098
  865    H    GLY 108           H        GLY 108  26.194   9.630   3.359
  866    HA2  GLY 108           2HA      GLY 108  28.699   8.563   3.027
  867    HA3  GLY 108           3HA      GLY 108  27.644   7.280   2.418
  868    H    ASP 109           H        ASP 109  26.537   7.571   0.550
  869    HA   ASP 109           HA       ASP 109  26.746  10.126  -0.977
  870    HB2  ASP 109           2HB      ASP 109  27.610   9.067  -2.906
  871    HB3  ASP 109           3HB      ASP 109  28.638   8.584  -1.570
  872    H    GLU 110           H        GLU 110  24.662   7.596  -0.036
  873    HA   GLU 110           HA       GLU 110  22.876   8.031  -2.350
  874    HB2  GLU 110           2HB      GLU 110  22.682   6.106  -0.001
  875    HB3  GLU 110           3HB      GLU 110  21.543   6.187  -1.351
  876    HG2  GLU 110           2HG      GLU 110  23.420   5.693  -2.936
  877    HG3  GLU 110           3HG      GLU 110  24.496   5.471  -1.553
  878    H    VAL 111           H        VAL 111  23.170   9.220   0.841
  879    HA   VAL 111           HA       VAL 111  20.465  10.480   0.744
  880    HB   VAL 111           HB       VAL 111  20.158  10.122   3.137
  881   HG11  VAL 111          1HG1      VAL 111  20.653   7.474   1.736
  882   HG12  VAL 111          2HG1      VAL 111  19.576   7.786   3.110
  883   HG13  VAL 111          3HG1      VAL 111  19.214   8.497   1.528
  884   HG21  VAL 111          3HG2      VAL 111  22.517   9.915   3.862
  885   HG22  VAL 111          1HG2      VAL 111  21.545   8.538   4.401
  886   HG23  VAL 111          2HG2      VAL 111  22.642   8.352   3.021
  887    H    ASP 112           H        ASP 112  23.271  11.408   0.190
  888    HA   ASP 112           HA       ASP 112  23.609  13.610   2.175
  889    HB2  ASP 112           2HB      ASP 112  25.527  12.128   1.897
  890    HB3  ASP 112           3HB      ASP 112  25.537  12.413   0.159
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   8.787   5.798  22.882
    2    H2   GLY   1           H2       GLY   1   8.421   6.786  21.627
    3    H3   GLY   1           H3       GLY   1   9.601   7.206  22.679
    4    HA2  GLY   1           2HA      GLY   1  10.974   5.355  21.987
    5    HA3  GLY   1           3HA      GLY   1   9.692   4.890  20.853
    6    H    SER   2           H        SER   2  12.200   5.282  19.876
    7    HA   SER   2           HA       SER   2  12.720   7.990  18.987
    8    HB2  SER   2           2HB      SER   2  14.504   6.374  19.312
    9    HB3  SER   2           3HB      SER   2  13.825   5.315  18.062
   10    HG   SER   2           HG       SER   2  15.587   6.704  17.375
   11    H    LYS   3           H        LYS   3  11.132   5.200  17.414
   12    HA   LYS   3           HA       LYS   3  11.046   6.458  14.785
   13    HB2  LYS   3           2HB      LYS   3   9.938   3.891  15.946
   14    HB3  LYS   3           3HB      LYS   3   9.383   4.476  14.386
   15    HG2  LYS   3           2HG      LYS   3  11.130   2.883  14.035
   16    HG3  LYS   3           3HG      LYS   3  11.655   4.474  13.483
   17    HD2  LYS   3           2HD      LYS   3  13.081   4.740  15.465
   18    HD3  LYS   3           3HD      LYS   3  12.458   3.217  16.147
   19    HE2  LYS   3           2HE      LYS   3  13.366   1.988  14.183
   20    HE3  LYS   3           3HE      LYS   3  13.984   3.505  13.516
   21    HZ1  LYS   3           3HZ      LYS   3  15.421   3.705  15.480
   22    HZ2  LYS   3           1HZ      LYS   3  14.845   2.302  16.098
   23    HZ3  LYS   3           2HZ      LYS   3  15.712   2.292  14.719
   24    H    ALA   4           H        ALA   4   9.339   7.243  13.644
   25    HA   ALA   4           HA       ALA   4   7.292   8.652  15.197
   26    HB1  ALA   4           1HB      ALA   4   7.913   8.658  12.215
   27    HB2  ALA   4           2HB      ALA   4   6.845   9.790  13.070
   28    HB3  ALA   4           3HB      ALA   4   8.583   9.788  13.418
   29    H    GLU   5           H        GLU   5   5.053   8.577  14.759
   30    HA   GLU   5           HA       GLU   5   4.003   6.009  13.609
   31    HB2  GLU   5           2HB      GLU   5   2.937   7.675  15.919
   32    HB3  GLU   5           3HB      GLU   5   2.176   6.222  15.261
   33    HG2  GLU   5           2HG      GLU   5   4.197   4.895  15.848
   34    HG3  GLU   5           3HG      GLU   5   4.917   6.327  16.587
   35    H    LYS   6           H        LYS   6   4.332   8.994  12.571
   36    HA   LYS   6           HA       LYS   6   1.547   9.706  11.915
   37    HB2  LYS   6           2HB      LYS   6   4.167  11.083  11.193
   38    HB3  LYS   6           3HB      LYS   6   2.556  11.741  10.941
   39    HG2  LYS   6           2HG      LYS   6   3.860  11.181  13.641
   40    HG3  LYS   6           3HG      LYS   6   3.641  12.750  12.870
   41    HD2  LYS   6           2HD      LYS   6   1.140  12.426  12.988
   42    HD3  LYS   6           3HD      LYS   6   1.415  10.896  13.829
   43    HE2  LYS   6           2HE      LYS   6   0.918  12.489  15.507
   44    HE3  LYS   6           3HE      LYS   6   2.639  12.123  15.634
   45    HZ1  LYS   6           3HZ      LYS   6   3.095  14.217  14.456
   46    HZ2  LYS   6           1HZ      LYS   6   1.496  14.532  14.308
   47    HZ3  LYS   6           2HZ      LYS   6   2.194  14.515  15.780
   48    H    THR   7           H        THR   7   0.752  10.079   9.884
   49    HA   THR   7           HA       THR   7   1.970   8.584   7.588
   50    HB   THR   7           HB       THR   7  -0.860   9.611   7.878
   51    HG1  THR   7           1HG      THR   7  -0.415   7.977   9.393
   52   HG21  THR   7          1HG2      THR   7  -0.212   7.302   6.087
   53   HG22  THR   7          2HG2      THR   7  -1.426   8.594   5.923
   54   HG23  THR   7          3HG2      THR   7   0.240   8.870   5.500
   55    H    LEU   8           H        LEU   8   2.237   9.731   5.582
   56    HA   LEU   8           HA       LEU   8   2.394  12.632   5.747
   57    HB2  LEU   8           2HB      LEU   8   3.307  12.663   3.695
   58    HB3  LEU   8           3HB      LEU   8   3.748  11.050   4.221
   59    HG   LEU   8           HG       LEU   8   1.481  11.787   2.299
   60   HD11  LEU   8          1HD1      LEU   8   3.753  12.065   1.367
   61   HD12  LEU   8          2HD1      LEU   8   4.120  10.379   1.788
   62   HD13  LEU   8          3HD1      LEU   8   2.863  10.747   0.591
   63   HD21  LEU   8          3HD2      LEU   8   2.481   9.071   3.226
   64   HD22  LEU   8          1HD2      LEU   8   0.868   9.730   3.493
   65   HD23  LEU   8          2HD2      LEU   8   1.377   9.336   1.856
   66    H    GLY   9           H        GLY   9  -0.313  10.630   5.244
   67    HA2  GLY   9           2HA      GLY   9  -2.533  11.340   5.256
   68    HA3  GLY   9           3HA      GLY   9  -2.056  12.939   4.699
   69    H    ASP  10           H        ASP  10  -0.890  10.163   2.809
   70    HA   ASP  10           HA       ASP  10  -2.984  10.685   0.750
   71    HB2  ASP  10           2HB      ASP  10   0.025  10.907   0.435
   72    HB3  ASP  10           3HB      ASP  10  -1.065  10.701  -0.929
   73    H    PHE  11           H        PHE  11  -1.104   8.223   2.341
   74    HA   PHE  11           HA       PHE  11  -2.469   6.262   0.667
   75    HB2  PHE  11           2HB      PHE  11  -0.245   4.961   0.371
   76    HB3  PHE  11           3HB      PHE  11  -0.732   6.199  -0.733
   77    HD1  PHE  11           HD1      PHE  11   1.387   6.055   2.436
   78    HD2  PHE  11           HD2      PHE  11   0.890   7.554  -1.583
   79    HE1  PHE  11           HE1      PHE  11   3.689   6.947   2.479
   80    HE2  PHE  11           HE2      PHE  11   3.166   8.527  -1.491
   81    HZ   PHE  11           HZ       PHE  11   4.579   8.200   0.532
   82    H    ALA  12           H        ALA  12  -2.434   4.097   1.431
   83    HA   ALA  12           HA       ALA  12  -2.314   3.898   4.402
   84    HB1  ALA  12           1HB      ALA  12  -4.545   4.688   3.560
   85    HB2  ALA  12           2HB      ALA  12  -4.666   3.209   2.602
   86    HB3  ALA  12           3HB      ALA  12  -4.623   3.107   4.372
   87    H    ALA  13           H        ALA  13  -2.454   1.763   5.271
   88    HA   ALA  13           HA       ALA  13  -1.939  -0.516   3.411
   89    HB1  ALA  13           1HB      ALA  13  -0.421   0.179   5.966
   90    HB2  ALA  13           2HB      ALA  13  -0.118  -1.211   4.885
   91    HB3  ALA  13           3HB      ALA  13   0.159   0.449   4.310
   92    H    GLU  14           H        GLU  14  -2.732  -2.532   4.072
   93    HA   GLU  14           HA       GLU  14  -4.147  -2.948   6.592
   94    HB2  GLU  14           2HB      GLU  14  -5.617  -1.554   4.835
   95    HB3  GLU  14           3HB      GLU  14  -5.754  -3.111   4.023
   96    HG2  GLU  14           2HG      GLU  14  -6.699  -4.052   6.190
   97    HG3  GLU  14           3HG      GLU  14  -6.547  -2.450   6.899
   98    H    TYR  15           H        TYR  15  -5.324  -5.223   6.316
   99    HA   TYR  15           HA       TYR  15  -3.918  -6.982   4.343
  100    HB2  TYR  15           2HB      TYR  15  -5.518  -7.760   6.793
  101    HB3  TYR  15           3HB      TYR  15  -4.844  -8.870   5.607
  102    HD1  TYR  15           HD2      TYR  15  -4.024  -6.469   8.304
  103    HD2  TYR  15           HD1      TYR  15  -2.437  -9.344   5.512
  104    HE1  TYR  15           HE2      TYR  15  -1.929  -6.608   9.631
  105    HE2  TYR  15           HE1      TYR  15  -0.294  -9.401   6.793
  106    HH   TYR  15           HH       TYR  15   0.854  -8.608   8.564
  107    H    ALA  16           H        ALA  16  -5.113  -8.131   2.872
  108    HA   ALA  16           HA       ALA  16  -7.353  -6.794   1.824
  109    HB1  ALA  16           1HB      ALA  16  -6.258  -9.551   1.288
  110    HB2  ALA  16           2HB      ALA  16  -7.354  -8.662   0.199
  111    HB3  ALA  16           3HB      ALA  16  -5.710  -8.052   0.521
  112    H    LYS  17           H        LYS  17  -9.354  -6.781   2.304
  113    HA   LYS  17           HA       LYS  17 -10.475  -8.689   4.230
  114    HB2  LYS  17           2HB      LYS  17 -10.354  -6.186   4.479
  115    HB3  LYS  17           3HB      LYS  17 -11.572  -6.036   3.215
  116    HG2  LYS  17           2HG      LYS  17 -13.252  -7.069   4.566
  117    HG3  LYS  17           3HG      LYS  17 -12.072  -7.669   5.743
  118    HD2  LYS  17           2HD      LYS  17 -12.513  -4.698   5.216
  119    HD3  LYS  17           3HD      LYS  17 -13.431  -5.600   6.431
  120    HE2  LYS  17           2HE      LYS  17 -11.471  -6.133   7.702
  121    HE3  LYS  17           3HE      LYS  17 -10.385  -5.578   6.427
  122    HZ1  LYS  17           3HZ      LYS  17 -12.209  -3.775   7.918
  123    HZ2  LYS  17           1HZ      LYS  17 -10.620  -3.957   8.239
  124    HZ3  LYS  17           2HZ      LYS  17 -11.074  -3.320   6.819
  125    H    SER  18           H        SER  18 -10.786  -8.079   0.847
  126    HA   SER  18           HA       SER  18 -12.385 -10.485   0.597
  127    HB2  SER  18           2HB      SER  18 -14.115  -9.542  -0.837
  128    HB3  SER  18           3HB      SER  18 -14.168  -8.776   0.757
  129    HG   SER  18           HG       SER  18 -14.295  -7.156  -0.761
  130    H    ASN  19           H        ASN  19 -12.153 -11.446  -1.469
  131    HA   ASN  19           HA       ASN  19  -9.933 -10.490  -3.135
  132    HB2  ASN  19           2HB      ASN  19 -10.334 -12.901  -2.490
  133    HB3  ASN  19           3HB      ASN  19 -11.770 -12.879  -3.525
  134   HD21  ASN  19          2HD2      ASN  19  -8.384 -11.609  -4.008
  135   HD22  ASN  19          1HD2      ASN  19  -8.012 -12.778  -5.263
  136    H    ARG  20           H        ARG  20 -12.645  -9.072  -2.889
  137    HA   ARG  20           HA       ARG  20 -13.386  -8.771  -5.751
  138    HB2  ARG  20           2HB      ARG  20 -14.481  -7.489  -3.206
  139    HB3  ARG  20           3HB      ARG  20 -15.130  -7.234  -4.821
  140    HG2  ARG  20           2HG      ARG  20 -15.137  -9.851  -3.258
  141    HG3  ARG  20           3HG      ARG  20 -16.514  -8.804  -3.565
  142    HD2  ARG  20           2HD      ARG  20 -14.951 -10.366  -5.666
  143    HD3  ARG  20           3HD      ARG  20 -16.522 -10.803  -5.021
  144    HE   ARG  20           HE       ARG  20 -15.920  -8.723  -7.010
  145   HH11  ARG  20          1HH2      ARG  20 -18.420  -9.888  -4.839
  146   HH12  ARG  20          2HH2      ARG  20 -19.683  -9.076  -5.723
  147   HH21  ARG  20          1HH1      ARG  20 -17.579  -7.717  -8.077
  148   HH22  ARG  20          2HH1      ARG  20 -19.212  -7.885  -7.504
  149    H    SER  21           H        SER  21 -11.299  -7.370  -3.402
  150    HA   SER  21           HA       SER  21 -11.005  -4.805  -4.802
  151    HB2  SER  21           2HB      SER  21  -9.233  -4.306  -3.263
  152    HB3  SER  21           3HB      SER  21 -10.674  -4.853  -2.406
  153    HG   SER  21           HG       SER  21  -9.613  -6.953  -2.233
  154    H    THR  22           H        THR  22  -9.134  -4.126  -5.957
  155    HA   THR  22           HA       THR  22  -7.566  -6.289  -7.259
  156    HB   THR  22           HB       THR  22  -9.230  -4.241  -8.742
  157    HG1  THR  22           1HG      THR  22 -10.554  -5.952  -9.295
  158   HG21  THR  22          1HG2      THR  22  -8.750  -5.509 -10.761
  159   HG22  THR  22          2HG2      THR  22  -7.214  -5.055 -10.018
  160   HG23  THR  22          3HG2      THR  22  -7.839  -6.713  -9.838
  161    H    CYS  23           HN       CYS  23  -5.609  -5.705  -7.982
  162    HA   CYS  23           HA       CYS  23  -4.508  -3.244  -6.964
  163    HB2  CYS  23           2HB      CYS  23  -3.270  -5.253  -6.742
  164    HB3  CYS  23           3HB      CYS  23  -3.534  -5.671  -8.434
  165    H    LYS  24           H        LYS  24  -4.749  -1.397  -8.037
  166    HA   LYS  24           HA       LYS  24  -5.102  -1.195 -10.944
  167    HB2  LYS  24           2HB      LYS  24  -4.819   0.741  -8.633
  168    HB3  LYS  24           3HB      LYS  24  -4.696   1.315 -10.299
  169    HG2  LYS  24           2HG      LYS  24  -6.960   1.581  -9.627
  170    HG3  LYS  24           3HG      LYS  24  -6.891   0.326 -10.847
  171    HD2  LYS  24           2HD      LYS  24  -7.279  -1.403  -9.184
  172    HD3  LYS  24           3HD      LYS  24  -7.004  -0.260  -7.862
  173    HE2  LYS  24           2HE      LYS  24  -9.352  -0.648  -7.999
  174    HE3  LYS  24           3HE      LYS  24  -9.046   1.002  -8.542
  175    HZ1  LYS  24           3HZ      LYS  24  -9.531  -1.329 -10.333
  176    HZ2  LYS  24           1HZ      LYS  24 -10.613  -0.163  -9.996
  177    HZ3  LYS  24           2HZ      LYS  24  -9.273   0.207 -10.847
  178    H    GLY  25           H        GLY  25  -2.389  -1.657  -9.013
  179    HA2  GLY  25           2HA      GLY  25  -0.375  -0.300 -10.615
  180    HA3  GLY  25           3HA      GLY  25  -0.107  -1.557  -9.405
  181    H    CYS  26           HN       CYS  26  -1.778  -3.561 -10.736
  182    HA   CYS  26           HA       CYS  26  -0.452  -3.910 -13.367
  183    HB2  CYS  26           2HB      CYS  26   0.217  -6.160 -12.949
  184    HB3  CYS  26           3HB      CYS  26   0.907  -5.121 -11.701
  185    H    MET  27           H        MET  27  -3.400  -3.936 -11.843
  186    HA   MET  27           HA       MET  27  -5.460  -4.527 -12.365
  187    HB2  MET  27           2HB      MET  27  -4.713  -3.518 -14.631
  188    HB3  MET  27           3HB      MET  27  -4.703  -5.183 -15.205
  189    HG2  MET  27           2HG      MET  27  -6.851  -4.731 -15.717
  190    HG3  MET  27           3HG      MET  27  -7.158  -5.151 -14.040
  191    HE1  MET  27           3HE      MET  27  -7.443  -1.468 -12.450
  192    HE2  MET  27           1HE      MET  27  -7.391  -3.207 -12.076
  193    HE3  MET  27           2HE      MET  27  -5.920  -2.361 -12.621
  194    H    GLU  28           H        GLU  28  -4.361  -6.319 -10.884
  195    HA   GLU  28           HA       GLU  28  -5.760  -8.780 -11.753
  196    HB2  GLU  28           2HB      GLU  28  -2.961  -8.823 -10.547
  197    HB3  GLU  28           3HB      GLU  28  -4.051 -10.204 -10.656
  198    HG2  GLU  28           2HG      GLU  28  -4.129  -9.841 -13.173
  199    HG3  GLU  28           3HG      GLU  28  -2.825  -8.667 -12.972
  200    H    LYS  29           H        LYS  29  -6.600 -10.027  -9.936
  201    HA   LYS  29           HA       LYS  29  -7.583  -8.149  -7.986
  202    HB2  LYS  29           2HB      LYS  29  -8.053 -11.117  -7.931
  203    HB3  LYS  29           3HB      LYS  29  -8.936  -9.823  -7.090
  204    HG2  LYS  29           2HG      LYS  29  -9.470  -8.886  -9.442
  205    HG3  LYS  29           3HG      LYS  29  -8.971 -10.473 -10.052
  206    HD2  LYS  29           2HD      LYS  29 -11.168  -9.872  -8.029
  207    HD3  LYS  29           3HD      LYS  29 -11.414 -10.379  -9.703
  208    HE2  LYS  29           2HE      LYS  29 -10.579 -12.591  -9.281
  209    HE3  LYS  29           3HE      LYS  29  -9.882 -12.114  -7.727
  210    HZ1  LYS  29           3HZ      LYS  29 -11.917 -13.294  -7.360
  211    HZ2  LYS  29           1HZ      LYS  29 -12.087 -11.748  -6.866
  212    HZ3  LYS  29           2HZ      LYS  29 -12.787 -12.244  -8.276
  213    H    ILE  30           H        ILE  30  -7.309  -7.988  -5.836
  214    HA   ILE  30           HA       ILE  30  -4.733  -8.926  -4.800
  215    HB   ILE  30           HB       ILE  30  -6.840  -6.978  -3.856
  216   HG12  ILE  30          2HG1      ILE  30  -3.878  -6.587  -4.515
  217   HG13  ILE  30          3HG1      ILE  30  -5.129  -6.484  -5.740
  218   HG21  ILE  30          1HG2      ILE  30  -4.256  -7.647  -2.387
  219   HG22  ILE  30          2HG2      ILE  30  -5.469  -6.409  -1.962
  220   HG23  ILE  30          3HG2      ILE  30  -5.890  -8.109  -1.842
  221   HD11  ILE  30          3HD1      ILE  30  -6.206  -4.624  -4.539
  222   HD12  ILE  30          1HD1      ILE  30  -4.896  -4.661  -3.324
  223   HD13  ILE  30          2HD1      ILE  30  -4.535  -4.279  -5.013
  224    H    GLU  31           H        GLU  31  -4.405 -10.574  -3.485
  225    HA   GLU  31           HA       GLU  31  -6.540 -12.473  -3.057
  226    HB2  GLU  31           2HB      GLU  31  -3.617 -12.530  -2.247
  227    HB3  GLU  31           3HB      GLU  31  -4.734 -13.890  -2.118
  228    HG2  GLU  31           2HG      GLU  31  -3.915 -12.508  -4.711
  229    HG3  GLU  31           3HG      GLU  31  -3.249 -14.006  -4.085
  230    H    LYS  32           H        LYS  32  -7.573 -13.057  -1.291
  231    HA   LYS  32           HA       LYS  32  -7.946 -11.341   0.915
  232    HB2  LYS  32           2HB      LYS  32  -9.572 -13.055   0.097
  233    HB3  LYS  32           3HB      LYS  32  -8.497 -14.331   0.659
  234    HG2  LYS  32           2HG      LYS  32 -10.172 -14.188   2.298
  235    HG3  LYS  32           3HG      LYS  32  -8.782 -13.394   3.021
  236    HD2  LYS  32           2HD      LYS  32  -9.875 -11.168   2.182
  237    HD3  LYS  32           3HD      LYS  32 -11.293 -12.159   1.852
  238    HE2  LYS  32           2HE      LYS  32 -11.634 -11.203   4.009
  239    HE3  LYS  32           3HE      LYS  32 -11.297 -12.912   4.255
  240    HZ1  LYS  32           3HZ      LYS  32  -9.071 -12.357   4.953
  241    HZ2  LYS  32           1HZ      LYS  32  -9.223 -10.783   4.510
  242    HZ3  LYS  32           2HZ      LYS  32 -10.072 -11.383   5.783
  243    H    GLY  33           H        GLY  33  -7.067 -11.109   2.883
  244    HA2  GLY  33           2HA      GLY  33  -6.066 -11.651   4.886
  245    HA3  GLY  33           3HA      GLY  33  -5.731 -13.270   4.281
  246    H    GLN  34           H        GLN  34  -4.217 -11.596   1.960
  247    HA   GLN  34           HA       GLN  34  -1.712 -11.158   3.515
  248    HB2  GLN  34           2HB      GLN  34  -0.477 -11.254   1.464
  249    HB3  GLN  34           3HB      GLN  34  -1.400 -12.709   1.765
  250    HG2  GLN  34           2HG      GLN  34  -1.519 -12.344  -0.564
  251    HG3  GLN  34           3HG      GLN  34  -3.098 -11.940   0.061
  252   HE21  GLN  34          1HE2      GLN  34  -3.874  -9.815  -0.381
  253   HE22  GLN  34          2HE2      GLN  34  -2.798  -8.506  -0.900
  254    H    VAL  35           H        VAL  35  -0.371  -9.219   2.739
  255    HA   VAL  35           HA       VAL  35  -1.861  -6.936   3.576
  256    HB   VAL  35           HB       VAL  35   0.932  -7.168   2.425
  257   HG11  VAL  35          1HG1      VAL  35  -0.342  -4.779   3.832
  258   HG12  VAL  35          2HG1      VAL  35   1.387  -4.972   3.494
  259   HG13  VAL  35          3HG1      VAL  35   0.254  -4.818   2.157
  260   HG21  VAL  35          3HG2      VAL  35  -0.067  -6.828   5.288
  261   HG22  VAL  35          1HG2      VAL  35   0.571  -8.334   4.592
  262   HG23  VAL  35          2HG2      VAL  35   1.626  -6.934   4.768
  263    H    ARG  36           H        ARG  36  -2.557  -5.094   2.568
  264    HA   ARG  36           HA       ARG  36  -2.094  -4.730  -0.323
  265    HB2  ARG  36           2HB      ARG  36  -4.369  -4.167  -0.839
  266    HB3  ARG  36           3HB      ARG  36  -4.248  -5.827  -0.245
  267    HG2  ARG  36           2HG      ARG  36  -5.219  -5.234   1.889
  268    HG3  ARG  36           3HG      ARG  36  -5.151  -3.514   1.509
  269    HD2  ARG  36           2HD      ARG  36  -6.706  -3.897  -0.420
  270    HD3  ARG  36           3HD      ARG  36  -6.847  -5.587   0.066
  271    HE   ARG  36           HE       ARG  36  -7.457  -3.673   2.217
  272   HH11  ARG  36          1HH2      ARG  36  -9.006  -5.246  -0.552
  273   HH12  ARG  36          2HH2      ARG  36 -10.581  -4.928   0.114
  274   HH21  ARG  36          1HH1      ARG  36  -9.403  -3.390   2.955
  275   HH22  ARG  36          2HH1      ARG  36 -10.826  -3.827   2.016
  276    H    LEU  37           H        LEU  37  -1.927  -2.625  -0.981
  277    HA   LEU  37           HA       LEU  37  -2.045  -0.514   1.124
  278    HB2  LEU  37           2HB      LEU  37  -0.190  -0.493  -1.274
  279    HB3  LEU  37           3HB      LEU  37  -0.224   0.579   0.150
  280    HG   LEU  37           HG       LEU  37   1.690  -0.620   0.356
  281   HD11  LEU  37          1HD1      LEU  37   1.522  -1.707   2.446
  282   HD12  LEU  37          2HD1      LEU  37   0.284  -0.438   2.369
  283   HD13  LEU  37          3HD1      LEU  37  -0.180  -2.139   2.186
  284   HD21  LEU  37          3HD2      LEU  37   1.186  -2.495  -1.214
  285   HD22  LEU  37          1HD2      LEU  37   2.007  -2.976   0.286
  286   HD23  LEU  37          2HD2      LEU  37   0.284  -3.308   0.085
  287    H    SER  38           H        SER  38  -2.666   1.631   0.378
  288    HA   SER  38           HA       SER  38  -3.664   1.814  -2.374
  289    HB2  SER  38           2HB      SER  38  -5.823   2.866  -1.627
  290    HB3  SER  38           3HB      SER  38  -5.702   1.135  -1.352
  291    HG   SER  38           HG       SER  38  -5.633   1.443   0.757
  292    H    LYS  39           H        LYS  39  -4.184   3.939  -3.104
  293    HA   LYS  39           HA       LYS  39  -2.909   6.171  -1.544
  294    HB2  LYS  39           2HB      LYS  39  -1.556   5.721  -3.471
  295    HB3  LYS  39           3HB      LYS  39  -2.966   5.690  -4.544
  296    HG2  LYS  39           2HG      LYS  39  -3.353   8.067  -4.237
  297    HG3  LYS  39           3HG      LYS  39  -2.094   8.156  -2.984
  298    HD2  LYS  39           2HD      LYS  39  -0.378   7.593  -4.654
  299    HD3  LYS  39           3HD      LYS  39  -1.626   7.411  -5.895
  300    HE2  LYS  39           2HE      LYS  39  -0.669   9.551  -6.253
  301    HE3  LYS  39           3HE      LYS  39  -2.262   9.825  -5.546
  302    HZ1  LYS  39           3HZ      LYS  39  -1.134  10.167  -3.384
  303    HZ2  LYS  39           1HZ      LYS  39   0.334   9.917  -4.097
  304    HZ3  LYS  39           2HZ      LYS  39  -0.568  11.219  -4.502
  305    H    LYS  40           H        LYS  40  -4.100   7.967  -1.171
  306    HA   LYS  40           HA       LYS  40  -6.922   8.033  -2.044
  307    HB2  LYS  40           2HB      LYS  40  -6.604   8.440   0.234
  308    HB3  LYS  40           3HB      LYS  40  -5.375   9.657  -0.037
  309    HG2  LYS  40           2HG      LYS  40  -8.234   9.991  -1.107
  310    HG3  LYS  40           3HG      LYS  40  -7.851  10.329   0.573
  311    HD2  LYS  40           2HD      LYS  40  -6.849  11.777  -1.876
  312    HD3  LYS  40           3HD      LYS  40  -7.829  12.403  -0.563
  313    HE2  LYS  40           2HE      LYS  40  -4.889  11.615  -0.383
  314    HE3  LYS  40           3HE      LYS  40  -5.495  13.253  -0.553
  315    HZ1  LYS  40           3HZ      LYS  40  -4.959  12.603   1.772
  316    HZ2  LYS  40           1HZ      LYS  40  -6.507  13.124   1.602
  317    HZ3  LYS  40           2HZ      LYS  40  -6.180  11.529   1.767
  318    H    MET  41           H        MET  41  -7.307   8.798  -4.014
  319    HA   MET  41           HA       MET  41  -6.462  11.471  -4.773
  320    HB2  MET  41           2HB      MET  41  -5.284  10.922  -6.836
  321    HB3  MET  41           3HB      MET  41  -4.400  10.352  -5.429
  322    HG2  MET  41           2HG      MET  41  -5.266   8.053  -5.822
  323    HG3  MET  41           3HG      MET  41  -6.136   8.637  -7.247
  324    HE1  MET  41           3HE      MET  41  -4.278   6.191  -7.258
  325    HE2  MET  41           1HE      MET  41  -5.130   6.824  -8.691
  326    HE3  MET  41           2HE      MET  41  -3.394   6.428  -8.787
  327    H    VAL  42           H        VAL  42  -7.765  12.350  -6.457
  328    HA   VAL  42           HA       VAL  42 -10.125  11.196  -7.304
  329    HB   VAL  42           HB       VAL  42  -8.377  13.073  -8.926
  330   HG11  VAL  42          1HG1      VAL  42 -10.535  13.799  -9.947
  331   HG12  VAL  42          2HG1      VAL  42 -10.134  12.129 -10.340
  332   HG13  VAL  42          3HG1      VAL  42 -11.364  12.475  -9.099
  333   HG21  VAL  42          3HG2      VAL  42 -10.603  13.661  -6.921
  334   HG22  VAL  42          1HG2      VAL  42  -8.878  14.038  -6.716
  335   HG23  VAL  42          2HG2      VAL  42  -9.811  14.861  -7.961
  336    H    ASP  43           H        ASP  43 -10.701   9.566  -8.645
  337    HA   ASP  43           HA       ASP  43  -8.696   7.848  -9.773
  338    HB2  ASP  43           2HB      ASP  43 -10.894   7.067  -8.926
  339    HB3  ASP  43           3HB      ASP  43 -11.695   7.888 -10.257
  340    HA   PRO  44           HA       PRO  44  -8.165  10.269 -13.461
  341    HB2  PRO  44           2HB      PRO  44  -6.426   8.664 -14.877
  342    HB3  PRO  44           3HB      PRO  44  -5.959   9.553 -13.394
  343    HG2  PRO  44           2HG      PRO  44  -6.876   6.657 -13.605
  344    HG3  PRO  44           3HG      PRO  44  -5.411   7.293 -12.782
  345    HD2  PRO  44           2HD      PRO  44  -7.673   6.777 -11.417
  346    HD3  PRO  44           3HD      PRO  44  -6.692   8.225 -11.034
  347    H    GLU  45           H        GLU  45  -9.721   7.186 -13.522
  348    HA   GLU  45           HA       GLU  45 -10.598   7.487 -16.369
  349    HB2  GLU  45           2HB      GLU  45 -10.642   5.122 -14.456
  350    HB3  GLU  45           3HB      GLU  45 -11.293   5.106 -16.095
  351    HG2  GLU  45           2HG      GLU  45  -9.128   5.380 -17.084
  352    HG3  GLU  45           3HG      GLU  45  -8.372   5.794 -15.549
  353    H    LYS  46           H        LYS  46 -11.566   8.103 -13.201
  354    HA   LYS  46           HA       LYS  46 -14.434   8.481 -13.892
  355    HB2  LYS  46           2HB      LYS  46 -13.433   6.931 -11.483
  356    HB3  LYS  46           3HB      LYS  46 -15.107   7.411 -11.765
  357    HG2  LYS  46           2HG      LYS  46 -15.292   5.973 -13.697
  358    HG3  LYS  46           3HG      LYS  46 -13.597   5.482 -13.568
  359    HD2  LYS  46           2HD      LYS  46 -15.698   5.114 -11.398
  360    HD3  LYS  46           3HD      LYS  46 -15.212   3.845 -12.539
  361    HE2  LYS  46           2HE      LYS  46 -13.520   5.149 -10.365
  362    HE3  LYS  46           3HE      LYS  46 -14.096   3.484 -10.409
  363    HZ1  LYS  46           3HZ      LYS  46 -12.100   4.685 -12.263
  364    HZ2  LYS  46           1HZ      LYS  46 -11.762   3.685 -11.052
  365    HZ3  LYS  46           2HZ      LYS  46 -12.628   3.117 -12.341
  366    HA   PRO  47           HA       PRO  47 -12.278  11.796 -11.283
  367    HB2  PRO  47           2HB      PRO  47 -12.793  13.983 -12.902
  368    HB3  PRO  47           3HB      PRO  47 -11.336  12.949 -13.007
  369    HG2  PRO  47           2HG      PRO  47 -13.881  12.747 -14.649
  370    HG3  PRO  47           3HG      PRO  47 -12.179  12.731 -15.227
  371    HD2  PRO  47           2HD      PRO  47 -13.547  10.438 -14.895
  372    HD3  PRO  47           3HD      PRO  47 -11.823  10.550 -14.421
  373    H    GLN  48           H        GLN  48 -15.446  11.354 -12.661
  374    HA   GLN  48           HA       GLN  48 -16.900  13.384 -11.254
  375    HB2  GLN  48           2HB      GLN  48 -17.778  10.654 -12.291
  376    HB3  GLN  48           3HB      GLN  48 -18.864  11.936 -11.764
  377    HG2  GLN  48           2HG      GLN  48 -16.964  12.083 -14.151
  378    HG3  GLN  48           3HG      GLN  48 -18.705  11.850 -14.210
  379   HE21  GLN  48          2HE2      GLN  48 -20.103  13.690 -13.345
  380   HE22  GLN  48          1HE2      GLN  48 -19.453  15.315 -13.501
  381    H    LEU  49           H        LEU  49 -15.625  10.241 -10.115
  382    HA   LEU  49           HA       LEU  49 -17.209  10.073  -7.706
  383    HB2  LEU  49           2HB      LEU  49 -14.347   9.246  -8.382
  384    HB3  LEU  49           3HB      LEU  49 -15.173   8.784  -6.903
  385    HG   LEU  49           HG       LEU  49 -16.037   7.952  -9.702
  386   HD11  LEU  49          1HD1      LEU  49 -13.898   6.992  -8.916
  387   HD12  LEU  49          2HD1      LEU  49 -14.675   6.496  -7.401
  388   HD13  LEU  49          3HD1      LEU  49 -15.185   5.752  -8.935
  389   HD21  LEU  49          3HD2      LEU  49 -17.970   8.052  -8.215
  390   HD22  LEU  49          1HD2      LEU  49 -17.498   6.361  -8.426
  391   HD23  LEU  49          2HD2      LEU  49 -17.066   7.222  -6.926
  392    H    GLY  50           H        GLY  50 -14.485  12.152  -8.542
  393    HA2  GLY  50           2HA      GLY  50 -13.028  13.417  -7.239
  394    HA3  GLY  50           3HA      GLY  50 -14.029  13.130  -5.812
  395    H    MET  51           H        MET  51 -12.392  12.432  -4.498
  396    HA   MET  51           HA       MET  51 -10.233  10.804  -5.253
  397    HB2  MET  51           2HB      MET  51 -10.903  11.413  -2.386
  398    HB3  MET  51           3HB      MET  51  -9.335  11.277  -3.178
  399    HG2  MET  51           2HG      MET  51 -10.173  13.409  -4.532
  400    HG3  MET  51           3HG      MET  51 -11.332  13.554  -3.214
  401    HE1  MET  51           3HE      MET  51  -7.912  14.546  -4.540
  402    HE2  MET  51           1HE      MET  51  -6.805  14.181  -3.193
  403    HE3  MET  51           2HE      MET  51  -7.702  12.869  -4.011
  404    H    ILE  52           H        ILE  52  -9.811   8.694  -5.002
  405    HA   ILE  52           HA       ILE  52 -11.583   7.066  -3.254
  406    HB   ILE  52           HB       ILE  52 -11.057   5.107  -4.686
  407   HG12  ILE  52          2HG1      ILE  52 -10.110   7.059  -6.819
  408   HG13  ILE  52          3HG1      ILE  52  -8.995   6.173  -5.786
  409   HG21  ILE  52          1HG2      ILE  52 -12.716   5.554  -6.354
  410   HG22  ILE  52          2HG2      ILE  52 -13.161   6.322  -4.819
  411   HG23  ILE  52          3HG2      ILE  52 -12.508   7.311  -6.164
  412   HD11  ILE  52          3HD1      ILE  52  -9.919   4.023  -6.527
  413   HD12  ILE  52          1HD1      ILE  52 -11.021   4.873  -7.640
  414   HD13  ILE  52          2HD1      ILE  52  -9.275   4.994  -7.864
  415    H    ASP  53           H        ASP  53 -10.611   5.174  -2.434
  416    HA   ASP  53           HA       ASP  53  -7.692   5.400  -1.811
  417    HB2  ASP  53           2HB      ASP  53  -9.854   3.610  -0.638
  418    HB3  ASP  53           3HB      ASP  53  -8.139   3.513  -0.245
  419    H    ARG  54           H        ARG  54  -6.993   4.923  -3.932
  420    HA   ARG  54           HA       ARG  54  -7.983   2.618  -5.434
  421    HB2  ARG  54           2HB      ARG  54  -6.973   4.951  -6.194
  422    HB3  ARG  54           3HB      ARG  54  -5.429   4.101  -6.122
  423    HG2  ARG  54           2HG      ARG  54  -6.022   2.603  -7.847
  424    HG3  ARG  54           3HG      ARG  54  -7.760   2.940  -7.667
  425    HD2  ARG  54           2HD      ARG  54  -7.024   5.428  -8.272
  426    HD3  ARG  54           3HD      ARG  54  -5.651   4.610  -9.035
  427    HE   ARG  54           HE       ARG  54  -8.568   4.451  -9.727
  428   HH11  ARG  54          1HH2      ARG  54  -5.321   3.691 -10.897
  429   HH12  ARG  54          2HH2      ARG  54  -5.940   3.480 -12.518
  430   HH21  ARG  54          1HH1      ARG  54  -9.154   4.322 -11.684
  431   HH22  ARG  54          2HH1      ARG  54  -8.090   3.754 -12.977
  432    H    TRP  55           H        TRP  55  -7.317   0.530  -5.163
  433    HA   TRP  55           HA       TRP  55  -5.132   0.027  -3.288
  434    HB2  TRP  55           2HB      TRP  55  -7.150  -1.849  -4.529
  435    HB3  TRP  55           3HB      TRP  55  -5.934  -2.310  -3.348
  436    HD1  TRP  55           HD1      TRP  55  -9.322  -0.722  -3.608
  437    HE1  TRP  55           HE1      TRP  55 -10.257  -0.185  -1.288
  438    HE3  TRP  55           HE3      TRP  55  -5.124  -1.607  -0.801
  439    HZ2  TRP  55           HZ2      TRP  55  -9.305  -0.087   1.431
  440    HZ3  TRP  55           HZ3      TRP  55  -5.141  -1.171   1.648
  441    HH2  TRP  55           HH2      TRP  55  -7.229  -0.439   2.774
  442    H    TYR  56           H        TYR  56  -3.482  -1.387  -3.491
  443    HA   TYR  56           HA       TYR  56  -2.420  -2.289  -6.094
  444    HB2  TYR  56           2HB      TYR  56  -0.996  -0.505  -4.063
  445    HB3  TYR  56           3HB      TYR  56  -0.268  -1.194  -5.505
  446    HD1  TYR  56           HD1      TYR  56  -0.945  -0.406  -7.747
  447    HD2  TYR  56           HD2      TYR  56  -2.400   1.506  -4.200
  448    HE1  TYR  56           HE1      TYR  56  -1.676   1.548  -9.122
  449    HE2  TYR  56           HE2      TYR  56  -3.172   3.445  -5.562
  450    HH   TYR  56           HH       TYR  56  -2.708   3.584  -9.109
  451    H    HIS  57           H        HIS  57  -0.820  -3.901  -5.877
  452    HA   HIS  57           HA       HIS  57  -0.862  -5.634  -3.526
  453    HB2  HIS  57           2HB      HIS  57   0.898  -5.684  -5.977
  454    HB3  HIS  57           3HB      HIS  57   1.034  -6.850  -4.696
  455    HD2  HIS  57           HD2      HIS  57  -1.382  -8.252  -4.100
  456    HE1  HIS  57           HE1      HIS  57  -2.571  -8.273  -8.180
  457    HE2  HIS  57           HE2      HIS  57  -2.922  -9.372  -5.936
  458    HA   PRO  58           HA       PRO  58   2.834  -4.162  -1.297
  459    HB2  PRO  58           2HB      PRO  58   3.612  -7.075  -1.256
  460    HB3  PRO  58           3HB      PRO  58   3.627  -5.880   0.083
  461    HG2  PRO  58           2HG      PRO  58   1.602  -7.653  -0.082
  462    HG3  PRO  58           3HG      PRO  58   1.233  -5.922   0.235
  463    HD2  PRO  58           2HD      PRO  58   1.116  -7.408  -2.404
  464    HD3  PRO  58           3HD      PRO  58  -0.101  -6.323  -1.666
  465    H    GLY  59           H        GLY  59   3.304  -6.267  -4.107
  466    HA2  GLY  59           2HA      GLY  59   6.113  -5.427  -4.504
  467    HA3  GLY  59           3HA      GLY  59   5.118  -6.388  -5.603
  468    H    CYS  60           HN       CYS  60   2.933  -4.808  -6.073
  469    HA   CYS  60           HA       CYS  60   3.966  -3.158  -8.066
  470    HB2  CYS  60           2HB      CYS  60   1.121  -3.302  -7.016
  471    HB3  CYS  60           3HB      CYS  60   1.625  -2.754  -8.622
  472    H    PHE  61           H        PHE  61   2.483  -2.202  -4.925
  473    HA   PHE  61           HA       PHE  61   2.334   0.569  -5.566
  474    HB2  PHE  61           2HB      PHE  61   1.616   0.871  -3.480
  475    HB3  PHE  61           3HB      PHE  61   1.470  -0.877  -3.484
  476    HD1  PHE  61           HD2      PHE  61   3.345  -2.253  -2.495
  477    HD2  PHE  61           HD1      PHE  61   3.193   2.009  -2.095
  478    HE1  PHE  61           HE2      PHE  61   4.813  -2.408  -0.470
  479    HE2  PHE  61           HE1      PHE  61   4.656   1.875  -0.061
  480    HZ   PHE  61           HZ       PHE  61   5.452  -0.335   0.749
  481    H    VAL  62           H        VAL  62   5.082  -1.359  -4.379
  482    HA   VAL  62           HA       VAL  62   6.954   0.843  -4.273
  483    HB   VAL  62           HB       VAL  62   7.602  -2.086  -4.737
  484   HG11  VAL  62          1HG1      VAL  62   9.268   0.223  -3.645
  485   HG12  VAL  62          2HG1      VAL  62   9.764  -1.481  -3.703
  486   HG13  VAL  62          3HG1      VAL  62   9.505  -0.600  -5.204
  487   HG21  VAL  62          3HG2      VAL  62   7.117  -0.502  -2.184
  488   HG22  VAL  62          1HG2      VAL  62   6.342  -2.005  -2.714
  489   HG23  VAL  62          2HG2      VAL  62   8.029  -2.027  -2.218
  490    H    LYS  63           H        LYS  63   6.045  -1.403  -6.912
  491    HA   LYS  63           HA       LYS  63   7.955  -0.514  -8.823
  492    HB2  LYS  63           2HB      LYS  63   6.619  -2.572  -9.048
  493    HB3  LYS  63           3HB      LYS  63   5.142  -1.620  -9.196
  494    HG2  LYS  63           2HG      LYS  63   5.942  -0.649 -11.327
  495    HG3  LYS  63           3HG      LYS  63   7.430  -1.592 -11.183
  496    HD2  LYS  63           2HD      LYS  63   5.867  -2.674 -12.719
  497    HD3  LYS  63           3HD      LYS  63   6.153  -3.682 -11.310
  498    HE2  LYS  63           2HE      LYS  63   3.820  -3.775 -11.958
  499    HE3  LYS  63           3HE      LYS  63   3.962  -3.060 -10.358
  500    HZ1  LYS  63           3HZ      LYS  63   3.461  -0.918 -11.255
  501    HZ2  LYS  63           1HZ      LYS  63   3.702  -1.407 -12.815
  502    HZ3  LYS  63           2HZ      LYS  63   2.406  -1.919 -11.968
  503    H    ASN  64           H        ASN  64   4.747   0.836  -8.046
  504    HA   ASN  64           HA       ASN  64   5.279   3.143  -9.858
  505    HB2  ASN  64           2HB      ASN  64   2.650   3.447  -9.209
  506    HB3  ASN  64           3HB      ASN  64   3.310   2.767 -10.672
  507   HD21  ASN  64          1HD2      ASN  64   1.762   1.943  -7.569
  508   HD22  ASN  64          2HD2      ASN  64   1.296   0.348  -8.150
  509    H    ARG  65           H        ARG  65   6.285   2.656  -6.904
  510    HA   ARG  65           HA       ARG  65   5.218   4.477  -5.173
  511    HB2  ARG  65           2HB      ARG  65   7.366   4.515  -4.088
  512    HB3  ARG  65           3HB      ARG  65   7.153   2.931  -4.794
  513    HG2  ARG  65           2HG      ARG  65   8.522   3.773  -6.805
  514    HG3  ARG  65           3HG      ARG  65   8.875   5.219  -5.843
  515    HD2  ARG  65           2HD      ARG  65   9.982   3.930  -4.161
  516    HD3  ARG  65           3HD      ARG  65   9.508   2.397  -4.914
  517    HE   ARG  65           HE       ARG  65  11.716   4.148  -5.663
  518   HH11  ARG  65          1HH2      ARG  65   9.602   1.653  -6.986
  519   HH12  ARG  65          2HH2      ARG  65  10.777   1.214  -8.199
  520   HH21  ARG  65          1HH1      ARG  65  13.124   3.527  -7.251
  521   HH22  ARG  65          2HH1      ARG  65  12.698   2.248  -8.347
  522    H    GLU  66           H        GLU  66   7.275   5.291  -7.906
  523    HA   GLU  66           HA       GLU  66   7.521   8.088  -7.184
  524    HB2  GLU  66           2HB      GLU  66   8.776   8.267  -9.292
  525    HB3  GLU  66           3HB      GLU  66   9.362   6.988  -8.220
  526    HG2  GLU  66           2HG      GLU  66   8.282   5.267  -9.576
  527    HG3  GLU  66           3HG      GLU  66   7.546   6.491 -10.616
  528    H    GLU  67           H        GLU  67   5.232   6.245  -9.018
  529    HA   GLU  67           HA       GLU  67   3.905   8.582 -10.205
  530    HB2  GLU  67           2HB      GLU  67   3.942   6.274 -11.271
  531    HB3  GLU  67           3HB      GLU  67   2.892   5.737  -9.962
  532    HG2  GLU  67           2HG      GLU  67   1.502   6.201 -11.826
  533    HG3  GLU  67           3HG      GLU  67   1.206   7.473 -10.654
  534    H    LEU  68           H        LEU  68   3.504   6.307  -7.454
  535    HA   LEU  68           HA       LEU  68   1.172   7.591  -6.358
  536    HB2  LEU  68           2HB      LEU  68   3.235   5.806  -5.019
  537    HB3  LEU  68           3HB      LEU  68   1.674   6.237  -4.341
  538    HG   LEU  68           HG       LEU  68   2.168   4.503  -6.795
  539   HD11  LEU  68          1HD1      LEU  68   2.598   3.415  -4.638
  540   HD12  LEU  68          2HD1      LEU  68   0.988   3.896  -4.059
  541   HD13  LEU  68          3HD1      LEU  68   1.142   2.751  -5.404
  542   HD21  LEU  68          3HD2      LEU  68  -0.507   5.228  -5.572
  543   HD22  LEU  68          1HD2      LEU  68   0.094   5.803  -7.150
  544   HD23  LEU  68          2HD2      LEU  68  -0.208   4.088  -6.892
  545    H    GLY  69           H        GLY  69   4.595   8.348  -6.014
  546    HA2  GLY  69           2HA      GLY  69   5.154  10.657  -5.679
  547    HA3  GLY  69           3HA      GLY  69   3.769  10.866  -4.614
  548    H    PHE  70           H        PHE  70   5.837   8.058  -4.151
  549    HA   PHE  70           HA       PHE  70   6.512   8.784  -1.442
  550    HB2  PHE  70           2HB      PHE  70   7.382   6.593  -3.338
  551    HB3  PHE  70           3HB      PHE  70   8.144   6.788  -1.777
  552    HD1  PHE  70           HD1      PHE  70   4.882   6.021  -3.413
  553    HD2  PHE  70           HD2      PHE  70   7.117   6.124   0.266
  554    HE1  PHE  70           HE1      PHE  70   3.150   4.615  -2.325
  555    HE2  PHE  70           HE2      PHE  70   5.384   4.727   1.357
  556    HZ   PHE  70           HZ       PHE  70   3.406   3.961   0.057
  557    H    ARG  71           H        ARG  71   8.269   9.550  -0.552
  558    HA   ARG  71           HA       ARG  71  10.875   9.770  -1.941
  559    HB2  ARG  71           2HB      ARG  71   9.535  11.963  -0.290
  560    HB3  ARG  71           3HB      ARG  71  11.250  11.947  -0.667
  561    HG2  ARG  71           2HG      ARG  71  10.876  12.242  -3.011
  562    HG3  ARG  71           3HG      ARG  71   9.143  11.919  -2.860
  563    HD2  ARG  71           2HD      ARG  71   9.572  14.331  -3.116
  564    HD3  ARG  71           3HD      ARG  71   8.760  13.915  -1.611
  565    HE   ARG  71           HE       ARG  71  10.593  14.620  -0.357
  566   HH11  ARG  71          1HH2      ARG  71  11.660  14.663  -3.711
  567   HH12  ARG  71          2HH2      ARG  71  13.130  15.499  -3.280
  568   HH21  ARG  71          1HH1      ARG  71  12.323  15.576   0.092
  569   HH22  ARG  71          2HH1      ARG  71  13.526  16.035  -1.122
  570    HA   PRO  72           HA       PRO  72  12.355   7.717   1.646
  571    HB2  PRO  72           2HB      PRO  72  14.368   9.932   2.076
  572    HB3  PRO  72           3HB      PRO  72  14.617   8.161   2.110
  573    HG2  PRO  72           2HG      PRO  72  15.291   9.566  -0.108
  574    HG3  PRO  72           3HG      PRO  72  14.399   8.019  -0.286
  575    HD2  PRO  72           2HD      PRO  72  13.301  10.843  -0.385
  576    HD3  PRO  72           3HD      PRO  72  12.954   9.457  -1.460
  577    H    GLU  73           H        GLU  73  11.984  11.240   2.224
  578    HA   GLU  73           HA       GLU  73  11.798  11.156   5.048
  579    HB2  GLU  73           2HB      GLU  73  10.938  13.399   4.875
  580    HB3  GLU  73           3HB      GLU  73  12.213  13.165   3.682
  581    HG2  GLU  73           2HG      GLU  73  10.369  12.725   1.957
  582    HG3  GLU  73           3HG      GLU  73   9.209  13.243   3.180
  583    H    TYR  74           H        TYR  74   9.527   9.953   2.841
  584    HA   TYR  74           HA       TYR  74   7.798   9.148   5.023
  585    HB2  TYR  74           2HB      TYR  74   5.694   9.816   3.684
  586    HB3  TYR  74           3HB      TYR  74   6.500  10.940   4.745
  587    HD1  TYR  74           HD2      TYR  74   7.206  10.070   1.132
  588    HD2  TYR  74           HD1      TYR  74   6.103  13.070   4.021
  589    HE1  TYR  74           HE2      TYR  74   7.131  11.797  -0.678
  590    HE2  TYR  74           HE1      TYR  74   6.068  14.792   2.230
  591    HH   TYR  74           HH       TYR  74   6.313  15.219  -0.000
  592    H    SER  75           H        SER  75   9.316   7.455   4.179
  593    HA   SER  75           HA       SER  75   8.716   5.735   2.029
  594    HB2  SER  75           2HB      SER  75   9.929   4.116   3.318
  595    HB3  SER  75           3HB      SER  75  10.678   5.689   3.587
  596    HG   SER  75           HG       SER  75   9.927   5.721   5.630
  597    H    ALA  76           H        ALA  76   8.084   3.299   2.820
  598    HA   ALA  76           HA       ALA  76   5.300   3.036   3.198
  599    HB1  ALA  76           1HB      ALA  76   6.814   1.270   2.338
  600    HB2  ALA  76           2HB      ALA  76   7.553   1.119   3.950
  601    HB3  ALA  76           3HB      ALA  76   5.845   0.699   3.708
  602    H    SER  77           H        SER  77   7.700   3.823   5.617
  603    HA   SER  77           HA       SER  77   6.326   2.886   7.948
  604    HB2  SER  77           2HB      SER  77   8.136   5.327   7.752
  605    HB3  SER  77           3HB      SER  77   7.800   4.338   9.181
  606    HG   SER  77           HG       SER  77   9.407   3.788   6.930
  607    H    GLN  78           H        GLN  78   5.648   5.576   5.795
  608    HA   GLN  78           HA       GLN  78   3.814   6.759   7.761
  609    HB2  GLN  78           2HB      GLN  78   5.130   8.065   5.362
  610    HB3  GLN  78           3HB      GLN  78   3.938   8.795   6.433
  611    HG2  GLN  78           2HG      GLN  78   5.696   8.074   8.333
  612    HG3  GLN  78           3HG      GLN  78   6.824   8.146   6.991
  613   HE21  GLN  78          2HE2      GLN  78   7.600   9.891   8.747
  614   HE22  GLN  78          1HE2      GLN  78   6.976  11.502   8.456
  615    H    LEU  79           H        LEU  79   3.166   4.387   6.188
  616    HA   LEU  79           HA       LEU  79   0.817   5.308   4.605
  617    HB2  LEU  79           2HB      LEU  79   1.911   2.583   5.414
  618    HB3  LEU  79           3HB      LEU  79   0.365   2.784   4.613
  619    HG   LEU  79           HG       LEU  79   2.843   3.878   3.268
  620   HD11  LEU  79          1HD1      LEU  79   1.975   0.966   3.069
  621   HD12  LEU  79          2HD1      LEU  79   3.257   1.764   2.144
  622   HD13  LEU  79          3HD1      LEU  79   3.429   1.524   3.890
  623   HD21  LEU  79          3HD2      LEU  79   0.422   2.441   2.121
  624   HD22  LEU  79          1HD2      LEU  79   0.452   4.175   2.440
  625   HD23  LEU  79          2HD2      LEU  79   1.583   3.475   1.274
  626    H    LYS  80           H        LYS  80  -1.229   5.401   5.389
  627    HA   LYS  80           HA       LYS  80  -1.809   5.519   8.150
  628    HB2  LYS  80           2HB      LYS  80  -3.804   4.779   5.966
  629    HB3  LYS  80           3HB      LYS  80  -4.192   5.314   7.598
  630    HG2  LYS  80           2HG      LYS  80  -2.971   7.452   7.125
  631    HG3  LYS  80           3HG      LYS  80  -2.827   6.938   5.433
  632    HD2  LYS  80           2HD      LYS  80  -5.428   7.393   6.977
  633    HD3  LYS  80           3HD      LYS  80  -4.699   8.532   5.839
  634    HE2  LYS  80           2HE      LYS  80  -4.944   6.877   4.006
  635    HE3  LYS  80           3HE      LYS  80  -5.685   5.732   5.137
  636    HZ1  LYS  80           3HZ      LYS  80  -6.823   8.390   4.450
  637    HZ2  LYS  80           1HZ      LYS  80  -7.359   6.960   3.871
  638    HZ3  LYS  80           2HZ      LYS  80  -7.504   7.303   5.460
  639    H    GLY  81           H        GLY  81  -2.226   4.098   9.703
  640    HA2  GLY  81           2HA      GLY  81  -2.701   2.124  10.804
  641    HA3  GLY  81           3HA      GLY  81  -3.324   1.464   9.292
  642    H    PHE  82           H        PHE  82  -0.047   2.424   8.778
  643    HA   PHE  82           HA       PHE  82   0.923  -0.172   8.317
  644    HB2  PHE  82           2HB      PHE  82   2.058   1.658   7.369
  645    HB3  PHE  82           3HB      PHE  82   2.196   2.509   8.901
  646    HD1  PHE  82           HD1      PHE  82   3.695  -0.154   6.794
  647    HD2  PHE  82           HD2      PHE  82   3.919   2.054  10.487
  648    HE1  PHE  82           HE1      PHE  82   6.010  -0.979   7.151
  649    HE2  PHE  82           HE2      PHE  82   6.231   1.203  10.857
  650    HZ   PHE  82           HZ       PHE  82   7.269  -0.323   9.183
  651    H    SER  83           H        SER  83   1.266   1.856  11.258
  652    HA   SER  83           HA       SER  83   2.861   0.157  12.788
  653    HB2  SER  83           2HB      SER  83   0.674   2.067  13.702
  654    HB3  SER  83           3HB      SER  83   2.000   1.450  14.714
  655    HG   SER  83           HG       SER  83   2.468   3.518  13.828
  656    H    LEU  84           H        LEU  84  -0.512  -0.302  12.029
  657    HA   LEU  84           HA       LEU  84  -1.019  -2.114  14.316
  658    HB2  LEU  84           2HB      LEU  84  -2.777  -0.814  12.205
  659    HB3  LEU  84           3HB      LEU  84  -3.342  -2.147  13.192
  660    HG   LEU  84           HG       LEU  84  -2.979  -0.865  15.256
  661   HD11  LEU  84          1HD1      LEU  84  -1.253   0.739  14.696
  662   HD12  LEU  84          2HD1      LEU  84  -2.249   1.433  13.388
  663   HD13  LEU  84          3HD1      LEU  84  -2.717   1.629  15.092
  664   HD21  LEU  84          3HD2      LEU  84  -4.670   0.568  13.163
  665   HD22  LEU  84          1HD2      LEU  84  -5.158  -0.868  14.090
  666   HD23  LEU  84          2HD2      LEU  84  -4.876   0.664  14.927
  667    H    LEU  85           H        LEU  85   0.270  -2.468  11.192
  668    HA   LEU  85           HA       LEU  85  -0.790  -5.126  10.613
  669    HB2  LEU  85           2HB      LEU  85   1.498  -3.454   9.569
  670    HB3  LEU  85           3HB      LEU  85   1.475  -5.171   9.250
  671    HG   LEU  85           HG       LEU  85  -0.642  -5.022   8.074
  672   HD11  LEU  85          1HD1      LEU  85  -1.621  -2.840   7.447
  673   HD12  LEU  85          2HD1      LEU  85  -1.757  -3.141   9.181
  674   HD13  LEU  85          3HD1      LEU  85  -0.511  -2.030   8.572
  675   HD21  LEU  85          3HD2      LEU  85   1.471  -4.692   6.852
  676   HD22  LEU  85          1HD2      LEU  85   0.147  -3.771   6.124
  677   HD23  LEU  85          2HD2      LEU  85   1.358  -2.939   7.127
  678    H    ALA  86           H        ALA  86   0.729  -7.067  10.565
  679    HA   ALA  86           HA       ALA  86   1.849  -7.571  13.198
  680    HB1  ALA  86           1HB      ALA  86   2.109  -9.157  10.609
  681    HB2  ALA  86           2HB      ALA  86   2.447  -9.743  12.249
  682    HB3  ALA  86           3HB      ALA  86   0.785  -9.324  11.782
  683    H    THR  87           H        THR  87   4.055  -7.818  13.764
  684    HA   THR  87           HA       THR  87   5.798  -5.846  12.890
  685    HB   THR  87           HB       THR  87   6.665  -8.481  14.113
  686    HG1  THR  87           1HG      THR  87   6.178  -7.493  16.084
  687   HG21  THR  87          1HG2      THR  87   7.750  -5.634  14.388
  688   HG22  THR  87          2HG2      THR  87   8.331  -7.050  15.297
  689   HG23  THR  87          3HG2      THR  87   8.550  -6.977  13.544
  690    H    GLU  88           H        GLU  88   5.733  -9.252  11.766
  691    HA   GLU  88           HA       GLU  88   8.087  -9.064  10.143
  692    HB2  GLU  88           2HB      GLU  88   7.367 -11.143   9.155
  693    HB3  GLU  88           3HB      GLU  88   7.154 -11.183  10.903
  694    HG2  GLU  88           2HG      GLU  88   4.698 -10.692  10.568
  695    HG3  GLU  88           3HG      GLU  88   4.956 -10.799   8.824
  696    H    ASP  89           H        ASP  89   4.738  -8.095   9.467
  697    HA   ASP  89           HA       ASP  89   5.296  -7.651   6.603
  698    HB2  ASP  89           2HB      ASP  89   2.881  -7.061   8.337
  699    HB3  ASP  89           3HB      ASP  89   2.997  -6.677   6.624
  700    H    LYS  90           H        LYS  90   5.017  -5.701   9.576
  701    HA   LYS  90           HA       LYS  90   5.411  -3.104   8.394
  702    HB2  LYS  90           2HB      LYS  90   6.080  -4.260  11.134
  703    HB3  LYS  90           3HB      LYS  90   6.355  -2.560  10.719
  704    HG2  LYS  90           2HG      LYS  90   4.071  -2.132  10.344
  705    HG3  LYS  90           3HG      LYS  90   3.644  -3.844  10.310
  706    HD2  LYS  90           2HD      LYS  90   2.868  -2.835  12.353
  707    HD3  LYS  90           3HD      LYS  90   4.074  -4.084  12.685
  708    HE2  LYS  90           2HE      LYS  90   5.785  -2.346  13.075
  709    HE3  LYS  90           3HE      LYS  90   4.618  -1.084  12.653
  710    HZ1  LYS  90           3HZ      LYS  90   4.383  -2.952  14.960
  711    HZ2  LYS  90           1HZ      LYS  90   4.732  -1.361  15.062
  712    HZ3  LYS  90           2HZ      LYS  90   3.247  -1.850  14.558
  713    H    GLU  91           H        GLU  91   7.766  -5.547   9.510
  714    HA   GLU  91           HA       GLU  91  10.102  -4.074   8.631
  715    HB2  GLU  91           2HB      GLU  91   9.590  -7.028   9.137
  716    HB3  GLU  91           3HB      GLU  91  11.158  -6.395   8.648
  717    HG2  GLU  91           2HG      GLU  91   9.660  -5.542  11.160
  718    HG3  GLU  91           3HG      GLU  91  10.947  -6.741  11.104
  719    H    ALA  92           H        ALA  92   8.166  -6.661   6.985
  720    HA   ALA  92           HA       ALA  92   9.753  -6.766   4.675
  721    HB1  ALA  92           1HB      ALA  92   6.777  -7.282   4.947
  722    HB2  ALA  92           2HB      ALA  92   7.826  -7.851   3.631
  723    HB3  ALA  92           3HB      ALA  92   8.088  -8.445   5.281
  724    H    LEU  93           H        LEU  93   6.976  -4.547   5.282
  725    HA   LEU  93           HA       LEU  93   6.908  -3.455   2.621
  726    HB2  LEU  93           2HB      LEU  93   5.996  -2.436   5.336
  727    HB3  LEU  93           3HB      LEU  93   5.739  -1.526   3.852
  728    HG   LEU  93           HG       LEU  93   4.646  -4.334   4.292
  729   HD11  LEU  93          1HD1      LEU  93   3.664  -2.724   5.871
  730   HD12  LEU  93          2HD1      LEU  93   3.300  -1.607   4.533
  731   HD13  LEU  93          3HD1      LEU  93   2.485  -3.183   4.633
  732   HD21  LEU  93          3HD2      LEU  93   4.880  -3.771   1.908
  733   HD22  LEU  93          1HD2      LEU  93   3.183  -3.758   2.382
  734   HD23  LEU  93          2HD2      LEU  93   4.049  -2.221   2.179
  735    H    LYS  94           H        LYS  94   8.696  -2.410   5.558
  736    HA   LYS  94           HA       LYS  94  10.032  -0.180   4.256
  737    HB2  LYS  94           2HB      LYS  94  10.788  -1.864   6.671
  738    HB3  LYS  94           3HB      LYS  94  11.646  -0.406   6.162
  739    HG2  LYS  94           2HG      LYS  94   9.608   0.952   6.478
  740    HG3  LYS  94           3HG      LYS  94   8.713  -0.474   7.008
  741    HD2  LYS  94           2HD      LYS  94  11.155   0.724   8.394
  742    HD3  LYS  94           3HD      LYS  94   9.474   0.889   8.923
  743    HE2  LYS  94           2HE      LYS  94   9.312  -1.571   9.223
  744    HE3  LYS  94           3HE      LYS  94  10.978  -1.756   8.673
  745    HZ1  LYS  94           3HZ      LYS  94  10.137  -0.386  11.158
  746    HZ2  LYS  94           1HZ      LYS  94  10.942  -1.819  11.013
  747    HZ3  LYS  94           2HZ      LYS  94  11.681  -0.420  10.598
  748    H    LYS  95           H        LYS  95  10.872  -3.623   4.708
  749    HA   LYS  95           HA       LYS  95  13.447  -3.436   3.480
  750    HB2  LYS  95           2HB      LYS  95  11.599  -5.776   3.996
  751    HB3  LYS  95           3HB      LYS  95  13.174  -5.988   3.231
  752    HG2  LYS  95           2HG      LYS  95  14.350  -5.079   5.122
  753    HG3  LYS  95           3HG      LYS  95  12.853  -4.598   5.923
  754    HD2  LYS  95           2HD      LYS  95  12.159  -6.992   6.045
  755    HD3  LYS  95           3HD      LYS  95  13.704  -7.474   5.335
  756    HE2  LYS  95           2HE      LYS  95  13.374  -5.908   7.942
  757    HE3  LYS  95           3HE      LYS  95  13.563  -7.661   7.851
  758    HZ1  LYS  95           3HZ      LYS  95  15.586  -5.691   6.929
  759    HZ2  LYS  95           1HZ      LYS  95  15.681  -6.594   8.281
  760    HZ3  LYS  95           2HZ      LYS  95  15.745  -7.316   6.820
  761    H    GLN  96           H        GLN  96  10.451  -3.210   1.933
  762    HA   GLN  96           HA       GLN  96  11.754  -3.629  -0.732
  763    HB2  GLN  96           2HB      GLN  96   8.805  -3.552  -0.035
  764    HB3  GLN  96           3HB      GLN  96   9.478  -3.703  -1.662
  765    HG2  GLN  96           2HG      GLN  96   9.934  -5.740   0.564
  766    HG3  GLN  96           3HG      GLN  96   8.705  -5.861  -0.681
  767   HE21  GLN  96          2HE2      GLN  96  12.313  -5.756  -0.225
  768   HE22  GLN  96          1HE2      GLN  96  12.610  -6.652  -1.707
  769    H    LEU  97           H        LEU  97   9.978  -1.220   1.234
  770    HA   LEU  97           HA       LEU  97  11.192   0.878  -0.485
  771    HB2  LEU  97           2HB      LEU  97   8.948   0.490  -1.268
  772    HB3  LEU  97           3HB      LEU  97   8.275   0.722   0.342
  773    HG   LEU  97           HG       LEU  97   8.765   3.088   0.297
  774   HD11  LEU  97          1HD1      LEU  97  10.966   3.173  -0.736
  775   HD12  LEU  97          2HD1      LEU  97  10.317   2.540  -2.265
  776   HD13  LEU  97          3HD1      LEU  97   9.859   4.163  -1.684
  777   HD21  LEU  97          3HD2      LEU  97   7.747   2.165  -2.422
  778   HD22  LEU  97          1HD2      LEU  97   6.784   2.371  -0.944
  779   HD23  LEU  97          2HD2      LEU  97   7.518   3.775  -1.720
  780    HA   PRO  98           HA       PRO  98  11.890   1.817   3.950
  781    HB2  PRO  98           2HB      PRO  98  14.628   1.892   3.979
  782    HB3  PRO  98           3HB      PRO  98  13.687   0.390   4.088
  783    HG2  PRO  98           2HG      PRO  98  15.169   1.516   1.734
  784    HG3  PRO  98           3HG      PRO  98  14.856  -0.197   2.167
  785    HD2  PRO  98           2HD      PRO  98  13.440   1.374   0.265
  786    HD3  PRO  98           3HD      PRO  98  12.976  -0.225   0.905
  787    H    GLY  99           H        GLY  99  12.566   3.841   4.981
  788    HA2  GLY  99           2HA      GLY  99  14.420   5.620   3.677
  789    HA3  GLY  99           3HA      GLY  99  12.787   6.265   3.613
  790    H    VAL 100           H        VAL 100  13.086   7.950   4.915
  791    HA   VAL 100           HA       VAL 100  14.316   7.827   7.578
  792    HB   VAL 100           HB       VAL 100  13.431   9.928   5.633
  793   HG11  VAL 100          1HG1      VAL 100  13.855  11.731   7.278
  794   HG12  VAL 100          2HG1      VAL 100  12.371  10.842   7.558
  795   HG13  VAL 100          3HG1      VAL 100  13.806  10.522   8.580
  796   HG21  VAL 100          3HG2      VAL 100  15.943   9.586   7.297
  797   HG22  VAL 100          1HG2      VAL 100  15.733   9.088   5.602
  798   HG23  VAL 100          2HG2      VAL 100  15.668  10.804   6.029
  799    H    LYS 101           H        LYS 101  13.217   8.101   9.453
  800    HA   LYS 101           HA       LYS 101  10.439   7.380   9.663
  801    HB2  LYS 101           2HB      LYS 101  10.680   7.845  12.050
  802    HB3  LYS 101           3HB      LYS 101  11.989   6.843  11.432
  803    HG2  LYS 101           2HG      LYS 101  13.517   8.803  11.424
  804    HG3  LYS 101           3HG      LYS 101  12.197   9.836  12.008
  805    HD2  LYS 101           2HD      LYS 101  12.010   8.490  14.047
  806    HD3  LYS 101           3HD      LYS 101  13.360   7.460  13.513
  807    HE2  LYS 101           2HE      LYS 101  14.877   9.404  13.521
  808    HE3  LYS 101           3HE      LYS 101  13.530  10.483  13.893
  809    HZ1  LYS 101           3HZ      LYS 101  13.235   9.205  15.994
  810    HZ2  LYS 101           1HZ      LYS 101  14.595   8.377  15.710
  811    HZ3  LYS 101           2HZ      LYS 101  14.665  10.004  15.929
  812    H    SER 102           H        SER 102  12.011  10.435   9.788
  813    HA   SER 102           HA       SER 102   9.964  11.998   8.586
  814    HB2  SER 102           2HB      SER 102  10.336  12.273  11.582
  815    HB3  SER 102           3HB      SER 102   9.756  13.613  10.571
  816    HG   SER 102           HG       SER 102   8.508  11.059  10.650
  817    H    GLU 103           H        GLU 103  12.673  11.933  10.875
  818    HA   GLU 103           HA       GLU 103  14.387  13.445   9.037
  819    HB2  GLU 103           2HB      GLU 103  13.468  15.210  10.465
  820    HB3  GLU 103           3HB      GLU 103  13.949  14.332  11.918
  821    HG2  GLU 103           2HG      GLU 103  16.306  14.638  11.398
  822    HG3  GLU 103           3HG      GLU 103  15.924  15.227   9.777
  823    H    GLY 104           H        GLY 104  16.473  12.644   9.091
  824    HA2  GLY 104           2HA      GLY 104  16.492   9.932   9.693
  825    HA3  GLY 104           3HA      GLY 104  17.880  10.856   9.125
  826    H    LYS 105           H        LYS 105  17.858  12.446  11.734
  827    HA   LYS 105           HA       LYS 105  18.904  10.352  13.609
  828    HB2  LYS 105           2HB      LYS 105  20.872  11.639  14.053
  829    HB3  LYS 105           3HB      LYS 105  20.782  11.289  12.338
  830    HG2  LYS 105           2HG      LYS 105  20.214  13.516  11.755
  831    HG3  LYS 105           3HG      LYS 105  19.752  13.953  13.399
  832    HD2  LYS 105           2HD      LYS 105  22.611  13.292  12.568
  833    HD3  LYS 105           3HD      LYS 105  21.930  14.925  12.658
  834    HE2  LYS 105           2HE      LYS 105  21.304  14.430  15.085
  835    HE3  LYS 105           3HE      LYS 105  22.244  12.947  14.963
  836    HZ1  LYS 105           3HZ      LYS 105  24.204  14.333  14.463
  837    HZ2  LYS 105           1HZ      LYS 105  23.297  15.698  14.630
  838    HZ3  LYS 105           2HZ      LYS 105  23.531  14.725  15.914
  839    H    ARG 106           H        ARG 106  16.471  12.376  13.547
  840    HA   ARG 106           HA       ARG 106  16.973  14.198  15.713
  841    HB2  ARG 106           2HB      ARG 106  15.275  14.387  13.820
  842    HB3  ARG 106           3HB      ARG 106  14.241  13.285  14.734
  843    HG2  ARG 106           2HG      ARG 106  14.326  14.953  16.658
  844    HG3  ARG 106           3HG      ARG 106  15.270  16.025  15.603
  845    HD2  ARG 106           2HD      ARG 106  13.339  15.919  13.938
  846    HD3  ARG 106           3HD      ARG 106  12.424  15.039  15.156
  847    HE   ARG 106           HE       ARG 106  12.082  17.021  16.353
  848   HH11  ARG 106          1HH2      ARG 106  14.474  17.772  13.832
  849   HH12  ARG 106          2HH2      ARG 106  14.326  19.477  14.177
  850   HH21  ARG 106          1HH1      ARG 106  12.009  19.044  16.698
  851   HH22  ARG 106          2HH1      ARG 106  12.952  20.217  15.779
  852    H    LYS 107           H        LYS 107  16.804  14.015  17.857
  853    HA   LYS 107           HA       LYS 107  14.954  12.156  19.135
  854    HB2  LYS 107           2HB      LYS 107  16.715  11.189  20.675
  855    HB3  LYS 107           3HB      LYS 107  16.612  10.529  19.051
  856    HG2  LYS 107           2HG      LYS 107  18.621  11.609  18.342
  857    HG3  LYS 107           3HG      LYS 107  18.695  12.617  19.804
  858    HD2  LYS 107           2HD      LYS 107  19.255  10.785  21.197
  859    HD3  LYS 107           3HD      LYS 107  18.669   9.596  20.036
  860    HE2  LYS 107           2HE      LYS 107  21.086   9.529  20.202
  861    HE3  LYS 107           3HE      LYS 107  20.555   9.939  18.569
  862    HZ1  LYS 107           3HZ      LYS 107  22.445  11.293  19.484
  863    HZ2  LYS 107           1HZ      LYS 107  21.233  12.179  18.880
  864    HZ3  LYS 107           2HZ      LYS 107  21.405  12.050  20.496
  865    H    GLY 108           H        GLY 108  14.508  12.622  21.311
  866    HA2  GLY 108           2HA      GLY 108  13.974  14.140  22.968
  867    HA3  GLY 108           3HA      GLY 108  15.578  14.856  22.767
  868    H    ASP 109           H        ASP 109  13.305  14.685  20.094
  869    HA   ASP 109           HA       ASP 109  12.714  16.197  18.586
  870    HB2  ASP 109           2HB      ASP 109  10.974  16.554  20.321
  871    HB3  ASP 109           3HB      ASP 109  11.881  17.951  20.906
  872    H    GLU 110           H        GLU 110  15.485  16.254  19.258
  873    HA   GLU 110           HA       GLU 110  16.185  18.880  18.038
  874    HB2  GLU 110           2HB      GLU 110  17.661  17.479  20.311
  875    HB3  GLU 110           3HB      GLU 110  18.318  18.805  19.348
  876    HG2  GLU 110           2HG      GLU 110  16.409  20.254  20.069
  877    HG3  GLU 110           3HG      GLU 110  15.863  18.961  21.141
  878    H    VAL 111           H        VAL 111  18.183  18.829  16.818
  879    HA   VAL 111           HA       VAL 111  18.569  16.295  15.377
  880    HB   VAL 111           HB       VAL 111  20.026  18.862  14.723
  881   HG11  VAL 111          1HG1      VAL 111  18.968  16.546  13.022
  882   HG12  VAL 111          2HG1      VAL 111  19.896  17.940  12.432
  883   HG13  VAL 111          3HG1      VAL 111  20.662  16.770  13.504
  884   HG21  VAL 111          3HG2      VAL 111  17.701  19.575  14.818
  885   HG22  VAL 111          1HG2      VAL 111  18.168  19.379  13.130
  886   HG23  VAL 111          2HG2      VAL 111  17.184  18.128  13.921
  887    H    ASP 112           H        ASP 112  19.300  15.958  17.902
  888    HA   ASP 112           HA       ASP 112  22.020  16.582  18.625
  889    HB2  ASP 112           2HB      ASP 112  20.262  16.326  20.275
  890    HB3  ASP 112           3HB      ASP 112  19.946  14.675  19.759
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1   6.190  15.776  27.813
    2    H2   GLY   1           H2       GLY   1   4.629  15.483  28.213
    3    H3   GLY   1           H3       GLY   1   4.982  16.369  26.881
    4    HA2  GLY   1           2HA      GLY   1   5.614  13.513  27.245
    5    HA3  GLY   1           3HA      GLY   1   4.289  14.147  26.251
    6    H    SER   2           H        SER   2   6.548  12.476  25.419
    7    HA   SER   2           HA       SER   2   8.377  14.129  23.855
    8    HB2  SER   2           2HB      SER   2   9.185  11.929  23.018
    9    HB3  SER   2           3HB      SER   2   9.211  12.092  24.780
   10    HG   SER   2           HG       SER   2   8.345  10.070  24.104
   11    H    LYS   3           H        LYS   3   8.650  13.955  21.559
   12    HA   LYS   3           HA       LYS   3   6.129  14.172  20.057
   13    HB2  LYS   3           2HB      LYS   3   9.036  14.559  19.233
   14    HB3  LYS   3           3HB      LYS   3   7.641  14.815  18.177
   15    HG2  LYS   3           2HG      LYS   3   6.775  16.566  19.711
   16    HG3  LYS   3           3HG      LYS   3   8.152  16.312  20.788
   17    HD2  LYS   3           2HD      LYS   3   8.574  18.270  19.475
   18    HD3  LYS   3           3HD      LYS   3   9.704  17.006  18.972
   19    HE2  LYS   3           2HE      LYS   3   8.280  16.517  16.994
   20    HE3  LYS   3           3HE      LYS   3   7.111  17.735  17.526
   21    HZ1  LYS   3           3HZ      LYS   3   8.848  19.422  17.251
   22    HZ2  LYS   3           1HZ      LYS   3   9.930  18.299  16.765
   23    HZ3  LYS   3           2HZ      LYS   3   8.622  18.626  15.847
   24    H    ALA   4           H        ALA   4   5.674  13.080  18.110
   25    HA   ALA   4           HA       ALA   4   7.042  10.531  17.519
   26    HB1  ALA   4           1HB      ALA   4   5.328   9.944  19.208
   27    HB2  ALA   4           2HB      ALA   4   4.073  10.715  18.211
   28    HB3  ALA   4           3HB      ALA   4   4.919   9.268  17.621
   29    H    GLU   5           H        GLU   5   6.388   9.595  15.480
   30    HA   GLU   5           HA       GLU   5   5.852  11.606  13.407
   31    HB2  GLU   5           2HB      GLU   5   6.528   8.640  13.280
   32    HB3  GLU   5           3HB      GLU   5   6.217   9.645  11.872
   33    HG2  GLU   5           2HG      GLU   5   8.578   9.483  12.119
   34    HG3  GLU   5           3HG      GLU   5   8.088  11.136  12.459
   35    H    LYS   6           H        LYS   6   4.277  11.383  11.742
   36    HA   LYS   6           HA       LYS   6   1.893   9.699  12.243
   37    HB2  LYS   6           2HB      LYS   6   1.540  11.854  13.450
   38    HB3  LYS   6           3HB      LYS   6   1.761  12.732  11.930
   39    HG2  LYS   6           2HG      LYS   6  -0.241  11.634  10.984
   40    HG3  LYS   6           3HG      LYS   6  -0.418  10.655  12.457
   41    HD2  LYS   6           2HD      LYS   6  -0.765  12.724  13.784
   42    HD3  LYS   6           3HD      LYS   6  -0.572  13.702  12.311
   43    HE2  LYS   6           2HE      LYS   6  -2.525  12.549  11.295
   44    HE3  LYS   6           3HE      LYS   6  -2.716  11.572  12.757
   45    HZ1  LYS   6           3HZ      LYS   6  -4.208  13.490  12.773
   46    HZ2  LYS   6           1HZ      LYS   6  -3.138  13.632  13.995
   47    HZ3  LYS   6           2HZ      LYS   6  -2.962  14.535  12.644
   48    H    THR   7           H        THR   7   0.789   9.134  10.454
   49    HA   THR   7           HA       THR   7   1.897   8.680   8.036
   50    HB   THR   7           HB       THR   7  -1.047   9.365   8.259
   51    HG1  THR   7           1HG      THR   7  -1.382   7.468   9.340
   52   HG21  THR   7          1HG2      THR   7   0.337   6.941   7.065
   53   HG22  THR   7          2HG2      THR   7  -1.347   7.382   6.903
   54   HG23  THR   7          3HG2      THR   7  -0.143   8.351   6.090
   55    H    LEU   8           H        LEU   8   1.979   9.617   5.940
   56    HA   LEU   8           HA       LEU   8   1.932  12.500   5.925
   57    HB2  LEU   8           2HB      LEU   8   2.984  12.460   3.955
   58    HB3  LEU   8           3HB      LEU   8   3.412  10.860   4.530
   59    HG   LEU   8           HG       LEU   8   1.216  11.534   2.512
   60   HD11  LEU   8          1HD1      LEU   8   3.907  10.205   2.082
   61   HD12  LEU   8          2HD1      LEU   8   2.665  10.506   0.852
   62   HD13  LEU   8          3HD1      LEU   8   3.485  11.871   1.625
   63   HD21  LEU   8          3HD2      LEU   8   2.302   8.840   3.375
   64   HD22  LEU   8          1HD2      LEU   8   0.693   9.434   3.777
   65   HD23  LEU   8          2HD2      LEU   8   1.116   9.120   2.085
   66    H    GLY   9           H        GLY   9  -0.662  10.353   5.447
   67    HA2  GLY   9           2HA      GLY   9  -2.906  10.879   5.257
   68    HA3  GLY   9           3HA      GLY   9  -2.500  12.548   4.863
   69    H    ASP  10           H        ASP  10  -0.983  10.038   2.910
   70    HA   ASP  10           HA       ASP  10  -2.899  10.629   0.709
   71    HB2  ASP  10           2HB      ASP  10  -0.332  11.667   0.874
   72    HB3  ASP  10           3HB      ASP  10  -0.098  10.227  -0.129
   73    H    PHE  11           H        PHE  11  -1.047   8.099   2.300
   74    HA   PHE  11           HA       PHE  11  -2.430   6.175   0.597
   75    HB2  PHE  11           2HB      PHE  11  -0.199   4.879   0.298
   76    HB3  PHE  11           3HB      PHE  11  -0.680   6.140  -0.783
   77    HD1  PHE  11           HD1      PHE  11   1.353   6.057   2.448
   78    HD2  PHE  11           HD2      PHE  11   1.016   7.382  -1.647
   79    HE1  PHE  11           HE1      PHE  11   3.668   6.916   2.528
   80    HE2  PHE  11           HE2      PHE  11   3.301   8.327  -1.521
   81    HZ   PHE  11           HZ       PHE  11   4.642   8.069   0.562
   82    H    ALA  12           H        ALA  12  -2.312   3.994   1.310
   83    HA   ALA  12           HA       ALA  12  -2.385   3.697   4.265
   84    HB1  ALA  12           1HB      ALA  12  -4.539   2.688   2.415
   85    HB2  ALA  12           2HB      ALA  12  -4.626   2.947   4.157
   86    HB3  ALA  12           3HB      ALA  12  -4.597   4.335   3.037
   87    H    ALA  13           H        ALA  13  -2.582   1.529   5.060
   88    HA   ALA  13           HA       ALA  13  -1.871  -0.736   3.290
   89    HB1  ALA  13           1HB      ALA  13  -0.292   0.102   5.771
   90    HB2  ALA  13           2HB      ALA  13   0.046  -1.290   4.700
   91    HB3  ALA  13           3HB      ALA  13   0.223   0.365   4.098
   92    H    GLU  14           H        GLU  14  -2.850  -2.672   3.969
   93    HA   GLU  14           HA       GLU  14  -3.947  -3.062   6.632
   94    HB2  GLU  14           2HB      GLU  14  -5.507  -1.363   5.628
   95    HB3  GLU  14           3HB      GLU  14  -5.764  -2.426   4.251
   96    HG2  GLU  14           2HG      GLU  14  -7.632  -2.449   5.835
   97    HG3  GLU  14           3HG      GLU  14  -6.924  -4.035   5.642
   98    H    TYR  15           H        TYR  15  -4.974  -5.240   6.745
   99    HA   TYR  15           HA       TYR  15  -4.020  -7.102   4.651
  100    HB2  TYR  15           2HB      TYR  15  -5.584  -7.533   7.207
  101    HB3  TYR  15           3HB      TYR  15  -5.071  -8.809   6.108
  102    HD1  TYR  15           HD1      TYR  15  -2.430  -8.505   5.376
  103    HD2  TYR  15           HD2      TYR  15  -4.161  -7.133   9.067
  104    HE1  TYR  15           HE1      TYR  15  -0.249  -8.892   6.542
  105    HE2  TYR  15           HE2      TYR  15  -1.993  -7.518  10.224
  106    HH   TYR  15           HH       TYR  15   0.885  -8.777   8.471
  107    H    ALA  16           H        ALA  16  -5.122  -7.929   3.025
  108    HA   ALA  16           HA       ALA  16  -7.571  -6.838   2.137
  109    HB1  ALA  16           1HB      ALA  16  -6.109  -9.373   1.381
  110    HB2  ALA  16           2HB      ALA  16  -7.384  -8.599   0.407
  111    HB3  ALA  16           3HB      ALA  16  -5.837  -7.766   0.684
  112    H    LYS  17           H        LYS  17  -9.329  -7.035   3.502
  113    HA   LYS  17           HA       LYS  17 -10.055  -9.401   4.927
  114    HB2  LYS  17           2HB      LYS  17 -10.649  -7.050   5.523
  115    HB3  LYS  17           3HB      LYS  17 -11.739  -6.979   4.143
  116    HG2  LYS  17           2HG      LYS  17 -12.967  -7.301   6.207
  117    HG3  LYS  17           3HG      LYS  17 -13.184  -8.702   5.164
  118    HD2  LYS  17           2HD      LYS  17 -11.556  -9.988   6.519
  119    HD3  LYS  17           3HD      LYS  17 -11.233  -8.549   7.514
  120    HE2  LYS  17           2HE      LYS  17 -13.628  -8.515   8.203
  121    HE3  LYS  17           3HE      LYS  17 -13.930  -9.955   7.222
  122    HZ1  LYS  17           3HZ      LYS  17 -12.356 -11.168   8.640
  123    HZ2  LYS  17           1HZ      LYS  17 -12.078  -9.835   9.546
  124    HZ3  LYS  17           2HZ      LYS  17 -13.551 -10.534   9.549
  125    H    SER  18           H        SER  18 -10.693  -8.503   1.651
  126    HA   SER  18           HA       SER  18 -11.895 -11.095   1.091
  127    HB2  SER  18           2HB      SER  18 -13.896 -10.240  -0.029
  128    HB3  SER  18           3HB      SER  18 -13.908  -9.820   1.687
  129    HG   SER  18           HG       SER  18 -13.046  -7.730   1.037
  130    H    ASN  19           H        ASN  19 -11.991 -11.554  -1.200
  131    HA   ASN  19           HA       ASN  19  -9.791 -10.434  -2.714
  132    HB2  ASN  19           2HB      ASN  19 -10.346 -12.826  -2.623
  133    HB3  ASN  19           3HB      ASN  19 -11.919 -12.514  -3.359
  134   HD21  ASN  19          2HD2      ASN  19  -8.522 -11.490  -4.231
  135   HD22  ASN  19          1HD2      ASN  19  -8.606 -12.285  -5.793
  136    H    ARG  20           H        ARG  20 -12.442  -8.819  -2.158
  137    HA   ARG  20           HA       ARG  20 -13.506  -8.144  -4.800
  138    HB2  ARG  20           2HB      ARG  20 -13.883  -6.932  -2.050
  139    HB3  ARG  20           3HB      ARG  20 -14.716  -6.392  -3.517
  140    HG2  ARG  20           2HG      ARG  20 -15.627  -8.677  -3.870
  141    HG3  ARG  20           3HG      ARG  20 -14.875  -9.224  -2.362
  142    HD2  ARG  20           2HD      ARG  20 -16.863  -6.945  -2.583
  143    HD3  ARG  20           3HD      ARG  20 -17.297  -8.621  -2.178
  144    HE   ARG  20           HE       ARG  20 -15.242  -7.833  -0.392
  145   HH11  ARG  20          1HH2      ARG  20 -18.600  -6.958  -0.910
  146   HH12  ARG  20          2HH2      ARG  20 -18.824  -6.501   0.758
  147   HH21  ARG  20          1HH1      ARG  20 -15.583  -7.252   1.669
  148   HH22  ARG  20          2HH1      ARG  20 -17.139  -6.664   2.194
  149    H    SER  21           H        SER  21 -10.989  -6.792  -2.698
  150    HA   SER  21           HA       SER  21 -10.638  -4.326  -4.175
  151    HB2  SER  21           2HB      SER  21  -8.340  -4.356  -3.065
  152    HB3  SER  21           3HB      SER  21  -9.756  -4.282  -2.016
  153    HG   SER  21           HG       SER  21  -8.485  -6.745  -2.668
  154    H    THR  22           H        THR  22  -9.131  -3.790  -5.769
  155    HA   THR  22           HA       THR  22  -7.803  -6.034  -7.215
  156    HB   THR  22           HB       THR  22  -9.450  -3.874  -8.523
  157    HG1  THR  22           1HG      THR  22 -10.767  -5.346  -7.467
  158   HG21  THR  22          1HG2      THR  22  -7.664  -4.728 -10.005
  159   HG22  THR  22          2HG2      THR  22  -8.221  -6.389  -9.710
  160   HG23  THR  22          3HG2      THR  22  -9.263  -5.238 -10.566
  161    H    CYS  23           HN       CYS  23  -5.857  -5.559  -8.066
  162    HA   CYS  23           HA       CYS  23  -4.560  -3.170  -7.092
  163    HB2  CYS  23           2HB      CYS  23  -3.456  -5.267  -6.934
  164    HB3  CYS  23           3HB      CYS  23  -3.771  -5.621  -8.634
  165    H    LYS  24           H        LYS  24  -4.790  -1.293  -8.158
  166    HA   LYS  24           HA       LYS  24  -5.120  -1.078 -11.074
  167    HB2  LYS  24           2HB      LYS  24  -4.805   0.844  -8.759
  168    HB3  LYS  24           3HB      LYS  24  -4.641   1.412 -10.425
  169    HG2  LYS  24           2HG      LYS  24  -6.901   1.756  -9.859
  170    HG3  LYS  24           3HG      LYS  24  -6.858   0.425 -10.996
  171    HD2  LYS  24           2HD      LYS  24  -7.344  -1.191  -9.258
  172    HD3  LYS  24           3HD      LYS  24  -7.007  -0.011  -7.988
  173    HE2  LYS  24           2HE      LYS  24  -9.370  -0.282  -8.087
  174    HE3  LYS  24           3HE      LYS  24  -8.987   1.324  -8.709
  175    HZ1  LYS  24           3HZ      LYS  24  -9.646  -1.059 -10.365
  176    HZ2  LYS  24           1HZ      LYS  24 -10.622   0.214 -10.102
  177    HZ3  LYS  24           2HZ      LYS  24  -9.261   0.415 -10.977
  178    H    GLY  25           H        GLY  25  -2.458  -1.671  -9.135
  179    HA2  GLY  25           2HA      GLY  25  -0.372  -0.414 -10.731
  180    HA3  GLY  25           3HA      GLY  25  -0.175  -1.692  -9.528
  181    H    CYS  26           HN       CYS  26  -2.034  -3.537 -10.945
  182    HA   CYS  26           HA       CYS  26  -0.729  -3.922 -13.568
  183    HB2  CYS  26           2HB      CYS  26  -0.105  -6.199 -13.208
  184    HB3  CYS  26           3HB      CYS  26   0.646  -5.199 -11.964
  185    H    MET  27           H        MET  27  -3.637  -3.911 -11.966
  186    HA   MET  27           HA       MET  27  -5.723  -4.457 -12.423
  187    HB2  MET  27           2HB      MET  27  -4.818  -4.792 -15.287
  188    HB3  MET  27           3HB      MET  27  -6.496  -4.741 -14.767
  189    HG2  MET  27           2HG      MET  27  -4.689  -2.448 -14.003
  190    HG3  MET  27           3HG      MET  27  -5.224  -2.604 -15.662
  191    HE1  MET  27           3HE      MET  27  -7.706  -3.556 -12.554
  192    HE2  MET  27           1HE      MET  27  -6.485  -2.414 -11.949
  193    HE3  MET  27           2HE      MET  27  -8.176  -1.899 -12.142
  194    H    GLU  28           H        GLU  28  -4.715  -6.261 -10.996
  195    HA   GLU  28           HA       GLU  28  -6.268  -8.625 -11.844
  196    HB2  GLU  28           2HB      GLU  28  -3.460  -8.879 -10.680
  197    HB3  GLU  28           3HB      GLU  28  -4.642 -10.181 -10.818
  198    HG2  GLU  28           2HG      GLU  28  -4.702  -9.707 -13.335
  199    HG3  GLU  28           3HG      GLU  28  -3.272  -8.699 -13.087
  200    H    LYS  29           H        LYS  29  -7.137  -9.827 -10.009
  201    HA   LYS  29           HA       LYS  29  -7.841  -7.921  -7.934
  202    HB2  LYS  29           2HB      LYS  29  -8.784 -10.781  -8.222
  203    HB3  LYS  29           3HB      LYS  29  -9.359  -9.557  -7.062
  204    HG2  LYS  29           2HG      LYS  29  -9.870  -8.066  -9.049
  205    HG3  LYS  29           3HG      LYS  29  -9.629  -9.467 -10.090
  206    HD2  LYS  29           2HD      LYS  29 -11.459 -10.652  -9.068
  207    HD3  LYS  29           3HD      LYS  29 -11.598  -9.479  -7.751
  208    HE2  LYS  29           2HE      LYS  29 -12.029  -8.768 -10.682
  209    HE3  LYS  29           3HE      LYS  29 -13.334  -9.283  -9.609
  210    HZ1  LYS  29           3HZ      LYS  29 -13.123  -6.844  -9.716
  211    HZ2  LYS  29           1HZ      LYS  29 -12.890  -7.382  -8.193
  212    HZ3  LYS  29           2HZ      LYS  29 -11.613  -6.905  -9.083
  213    H    ILE  30           H        ILE  30  -7.407  -7.824  -5.869
  214    HA   ILE  30           HA       ILE  30  -4.851  -8.928  -5.048
  215    HB   ILE  30           HB       ILE  30  -6.846  -6.997  -3.882
  216   HG12  ILE  30          2HG1      ILE  30  -3.925  -6.591  -4.651
  217   HG13  ILE  30          3HG1      ILE  30  -5.214  -6.486  -5.839
  218   HG21  ILE  30          1HG2      ILE  30  -4.235  -7.780  -2.538
  219   HG22  ILE  30          2HG2      ILE  30  -5.383  -6.503  -2.056
  220   HG23  ILE  30          3HG2      ILE  30  -5.865  -8.181  -1.931
  221   HD11  ILE  30          3HD1      ILE  30  -4.637  -4.284  -5.115
  222   HD12  ILE  30          1HD1      ILE  30  -6.279  -4.658  -4.572
  223   HD13  ILE  30          2HD1      ILE  30  -4.922  -4.689  -3.412
  224    H    GLU  31           H        GLU  31  -4.366 -10.505  -3.625
  225    HA   GLU  31           HA       GLU  31  -6.361 -12.518  -3.114
  226    HB2  GLU  31           2HB      GLU  31  -3.464 -12.210  -2.226
  227    HB3  GLU  31           3HB      GLU  31  -4.437 -13.643  -1.903
  228    HG2  GLU  31           2HG      GLU  31  -3.800 -12.602  -4.698
  229    HG3  GLU  31           3HG      GLU  31  -2.868 -13.822  -3.844
  230    H    LYS  32           H        LYS  32  -7.387 -13.080  -1.327
  231    HA   LYS  32           HA       LYS  32  -7.704 -11.258   0.898
  232    HB2  LYS  32           2HB      LYS  32  -9.498 -12.728   0.024
  233    HB3  LYS  32           3HB      LYS  32  -8.590 -14.154   0.541
  234    HG2  LYS  32           2HG      LYS  32  -8.778 -13.404   2.916
  235    HG3  LYS  32           3HG      LYS  32  -9.697 -11.981   2.381
  236    HD2  LYS  32           2HD      LYS  32 -11.453 -13.461   1.487
  237    HD3  LYS  32           3HD      LYS  32 -10.490 -14.887   1.942
  238    HE2  LYS  32           2HE      LYS  32 -10.598 -14.202   4.324
  239    HE3  LYS  32           3HE      LYS  32 -11.564 -12.790   3.882
  240    HZ1  LYS  32           3HZ      LYS  32 -12.966 -14.626   4.635
  241    HZ2  LYS  32           1HZ      LYS  32 -13.292 -14.308   3.070
  242    HZ3  LYS  32           2HZ      LYS  32 -12.396 -15.616   3.472
  243    H    GLY  33           H        GLY  33  -7.078 -11.422   2.996
  244    HA2  GLY  33           2HA      GLY  33  -6.019 -12.145   4.910
  245    HA3  GLY  33           3HA      GLY  33  -5.671 -13.682   4.120
  246    H    GLN  34           H        GLN  34  -4.421 -11.030   2.363
  247    HA   GLN  34           HA       GLN  34  -1.814 -11.005   3.772
  248    HB2  GLN  34           2HB      GLN  34  -0.573 -11.188   1.689
  249    HB3  GLN  34           3HB      GLN  34  -1.530 -12.613   2.034
  250    HG2  GLN  34           2HG      GLN  34  -1.727 -12.318  -0.281
  251    HG3  GLN  34           3HG      GLN  34  -3.263 -11.768   0.360
  252   HE21  GLN  34          1HE2      GLN  34  -3.902  -9.613  -0.231
  253   HE22  GLN  34          2HE2      GLN  34  -2.713  -8.411  -0.765
  254    H    VAL  35           H        VAL  35  -0.404  -9.124   2.902
  255    HA   VAL  35           HA       VAL  35  -1.843  -6.748   3.593
  256    HB   VAL  35           HB       VAL  35   0.919  -7.019   2.342
  257   HG11  VAL  35          1HG1      VAL  35   0.165  -4.699   2.113
  258   HG12  VAL  35          2HG1      VAL  35  -0.365  -4.669   3.814
  259   HG13  VAL  35          3HG1      VAL  35   1.356  -4.802   3.398
  260   HG21  VAL  35          3HG2      VAL  35   0.083  -6.722   5.262
  261   HG22  VAL  35          1HG2      VAL  35   0.752  -8.195   4.517
  262   HG23  VAL  35          2HG2      VAL  35   1.746  -6.749   4.645
  263    H    ARG  36           H        ARG  36  -2.716  -5.115   2.450
  264    HA   ARG  36           HA       ARG  36  -2.085  -4.813  -0.427
  265    HB2  ARG  36           2HB      ARG  36  -4.366  -4.293  -1.003
  266    HB3  ARG  36           3HB      ARG  36  -4.217  -5.938  -0.365
  267    HG2  ARG  36           2HG      ARG  36  -5.256  -5.342   1.719
  268    HG3  ARG  36           3HG      ARG  36  -5.170  -3.627   1.343
  269    HD2  ARG  36           2HD      ARG  36  -6.687  -4.118  -0.675
  270    HD3  ARG  36           3HD      ARG  36  -6.940  -5.716   0.035
  271    HE   ARG  36           HE       ARG  36  -7.419  -3.259   1.663
  272   HH11  ARG  36          1HH2      ARG  36  -9.048  -5.777  -0.166
  273   HH12  ARG  36          2HH2      ARG  36 -10.514  -5.582   0.743
  274   HH21  ARG  36          1HH1      ARG  36  -9.329  -3.047   2.724
  275   HH22  ARG  36          2HH1      ARG  36 -10.682  -4.050   2.303
  276    H    LEU  37           H        LEU  37  -1.949  -2.702  -1.145
  277    HA   LEU  37           HA       LEU  37  -2.045  -0.595   0.961
  278    HB2  LEU  37           2HB      LEU  37  -0.217  -0.579  -1.458
  279    HB3  LEU  37           3HB      LEU  37  -0.244   0.514  -0.054
  280    HG   LEU  37           HG       LEU  37   1.671  -0.661   0.181
  281   HD11  LEU  37          1HD1      LEU  37   1.509  -1.751   2.271
  282   HD12  LEU  37          2HD1      LEU  37   0.290  -0.461   2.172
  283   HD13  LEU  37          3HD1      LEU  37  -0.203  -2.157   2.019
  284   HD21  LEU  37          3HD2      LEU  37   0.270  -3.370  -0.027
  285   HD22  LEU  37          1HD2      LEU  37   1.120  -2.584  -1.371
  286   HD23  LEU  37          2HD2      LEU  37   1.997  -3.028   0.112
  287    H    SER  38           H        SER  38  -2.619   1.573   0.239
  288    HA   SER  38           HA       SER  38  -3.633   1.814  -2.500
  289    HB2  SER  38           2HB      SER  38  -5.808   2.740  -1.864
  290    HB3  SER  38           3HB      SER  38  -5.623   1.083  -1.295
  291    HG   SER  38           HG       SER  38  -6.445   2.258   0.383
  292    H    LYS  39           H        LYS  39  -4.188   4.007  -3.160
  293    HA   LYS  39           HA       LYS  39  -2.917   6.176  -1.520
  294    HB2  LYS  39           2HB      LYS  39  -1.413   5.765  -3.331
  295    HB3  LYS  39           3HB      LYS  39  -2.728   5.736  -4.511
  296    HG2  LYS  39           2HG      LYS  39  -3.133   8.118  -4.241
  297    HG3  LYS  39           3HG      LYS  39  -1.959   8.221  -2.911
  298    HD2  LYS  39           2HD      LYS  39  -0.127   7.714  -4.385
  299    HD3  LYS  39           3HD      LYS  39  -1.242   7.315  -5.711
  300    HE2  LYS  39           2HE      LYS  39  -0.553   9.393  -6.357
  301    HE3  LYS  39           3HE      LYS  39  -2.062   9.767  -5.525
  302    HZ1  LYS  39           3HZ      LYS  39  -0.206  11.242  -4.890
  303    HZ2  LYS  39           1HZ      LYS  39  -0.749  10.447  -3.582
  304    HZ3  LYS  39           2HZ      LYS  39   0.650   9.970  -4.320
  305    H    LYS  40           H        LYS  40  -4.096   7.952  -1.184
  306    HA   LYS  40           HA       LYS  40  -6.866   8.114  -2.203
  307    HB2  LYS  40           2HB      LYS  40  -6.742   8.396   0.077
  308    HB3  LYS  40           3HB      LYS  40  -5.383   9.478   0.018
  309    HG2  LYS  40           2HG      LYS  40  -8.155  10.191  -1.110
  310    HG3  LYS  40           3HG      LYS  40  -7.705  10.437   0.572
  311    HD2  LYS  40           2HD      LYS  40  -6.682  11.881  -1.856
  312    HD3  LYS  40           3HD      LYS  40  -7.457  12.537  -0.422
  313    HE2  LYS  40           2HE      LYS  40  -5.438  12.049   0.933
  314    HE3  LYS  40           3HE      LYS  40  -4.688  11.270  -0.468
  315    HZ1  LYS  40           3HZ      LYS  40  -3.789  13.370  -0.406
  316    HZ2  LYS  40           1HZ      LYS  40  -4.843  13.441  -1.621
  317    HZ3  LYS  40           2HZ      LYS  40  -5.234  14.152  -0.184
  318    H    MET  41           H        MET  41  -7.110   8.963  -4.165
  319    HA   MET  41           HA       MET  41  -6.142  11.665  -4.722
  320    HB2  MET  41           2HB      MET  41  -4.973  11.114  -6.811
  321    HB3  MET  41           3HB      MET  41  -4.148  10.459  -5.402
  322    HG2  MET  41           2HG      MET  41  -5.151   8.225  -5.864
  323    HG3  MET  41           3HG      MET  41  -5.936   8.891  -7.302
  324    HE1  MET  41           3HE      MET  41  -4.180   6.313  -7.242
  325    HE2  MET  41           1HE      MET  41  -4.957   6.957  -8.706
  326    HE3  MET  41           2HE      MET  41  -3.234   6.513  -8.742
  327    H    VAL  42           H        VAL  42  -7.412  12.735  -6.330
  328    HA   VAL  42           HA       VAL  42  -9.737  11.536  -7.387
  329    HB   VAL  42           HB       VAL  42  -8.104  13.747  -8.699
  330   HG11  VAL  42          1HG1      VAL  42 -10.279  14.374  -9.734
  331   HG12  VAL  42          2HG1      VAL  42  -9.711  12.794 -10.272
  332   HG13  VAL  42          3HG1      VAL  42 -11.009  12.902  -9.054
  333   HG21  VAL  42          3HG2      VAL  42 -10.450  13.939  -6.761
  334   HG22  VAL  42          1HG2      VAL  42  -8.769  14.425  -6.428
  335   HG23  VAL  42          2HG2      VAL  42  -9.713  15.296  -7.631
  336    H    ASP  43           H        ASP  43  -9.976   9.970  -8.885
  337    HA   ASP  43           HA       ASP  43  -7.656   8.775 -10.130
  338    HB2  ASP  43           2HB      ASP  43  -9.516   7.444  -9.339
  339    HB3  ASP  43           3HB      ASP  43 -10.613   8.223 -10.477
  340    HA   PRO  44           HA       PRO  44  -7.575  11.496 -13.577
  341    HB2  PRO  44           2HB      PRO  44  -5.760  10.234 -15.229
  342    HB3  PRO  44           3HB      PRO  44  -5.322  11.037 -13.691
  343    HG2  PRO  44           2HG      PRO  44  -5.910   8.086 -14.138
  344    HG3  PRO  44           3HG      PRO  44  -4.492   8.818 -13.309
  345    HD2  PRO  44           2HD      PRO  44  -6.596   7.910 -11.912
  346    HD3  PRO  44           3HD      PRO  44  -5.799   9.443 -11.444
  347    H    GLU  45           H        GLU  45  -8.816   8.258 -13.992
  348    HA   GLU  45           HA       GLU  45  -9.887   8.900 -16.713
  349    HB2  GLU  45           2HB      GLU  45  -9.896   6.283 -15.167
  350    HB3  GLU  45           3HB      GLU  45 -10.505   6.528 -16.797
  351    HG2  GLU  45           2HG      GLU  45  -7.603   6.746 -15.890
  352    HG3  GLU  45           3HG      GLU  45  -8.318   5.451 -16.837
  353    H    LYS  46           H        LYS  46 -10.714   9.117 -13.454
  354    HA   LYS  46           HA       LYS  46 -13.621   9.368 -14.026
  355    HB2  LYS  46           2HB      LYS  46 -12.407   7.763 -11.751
  356    HB3  LYS  46           3HB      LYS  46 -14.119   8.166 -11.895
  357    HG2  LYS  46           2HG      LYS  46 -14.332   6.889 -13.946
  358    HG3  LYS  46           3HG      LYS  46 -12.613   6.487 -13.945
  359    HD2  LYS  46           2HD      LYS  46 -14.583   5.762 -11.746
  360    HD3  LYS  46           3HD      LYS  46 -14.087   4.669 -13.043
  361    HE2  LYS  46           2HE      LYS  46 -12.329   5.803 -10.821
  362    HE3  LYS  46           3HE      LYS  46 -12.872   4.136 -11.007
  363    HZ1  LYS  46           3HZ      LYS  46 -10.914   5.581 -12.718
  364    HZ2  LYS  46           1HZ      LYS  46 -10.644   4.270 -11.810
  365    HZ3  LYS  46           2HZ      LYS  46 -11.567   4.125 -13.154
  366    HA   PRO  47           HA       PRO  47 -11.862  12.802 -11.328
  367    HB2  PRO  47           2HB      PRO  47 -12.270  14.964 -12.967
  368    HB3  PRO  47           3HB      PRO  47 -10.787  13.961 -12.976
  369    HG2  PRO  47           2HG      PRO  47 -13.209  13.718 -14.800
  370    HG3  PRO  47           3HG      PRO  47 -11.473  13.778 -15.265
  371    HD2  PRO  47           2HD      PRO  47 -12.795  11.427 -15.043
  372    HD3  PRO  47           3HD      PRO  47 -11.093  11.591 -14.512
  373    H    GLN  48           H        GLN  48 -14.816  11.792 -12.612
  374    HA   GLN  48           HA       GLN  48 -16.509  13.949 -11.529
  375    HB2  GLN  48           2HB      GLN  48 -16.999  12.673 -13.646
  376    HB3  GLN  48           3HB      GLN  48 -17.231  11.214 -12.667
  377    HG2  GLN  48           2HG      GLN  48 -19.120  12.306 -11.487
  378    HG3  GLN  48           3HG      GLN  48 -18.834  13.799 -12.384
  379   HE21  GLN  48          2HE2      GLN  48 -21.320  13.136 -12.679
  380   HE22  GLN  48          1HE2      GLN  48 -21.628  12.251 -14.168
  381    H    LEU  49           H        LEU  49 -15.125  10.836 -10.514
  382    HA   LEU  49           HA       LEU  49 -16.972  10.279  -8.392
  383    HB2  LEU  49           2HB      LEU  49 -15.781   8.703  -9.877
  384    HB3  LEU  49           3HB      LEU  49 -14.227   9.319  -9.303
  385    HG   LEU  49           HG       LEU  49 -14.556   8.400  -7.129
  386   HD11  LEU  49          1HD1      LEU  49 -17.246   7.458  -8.209
  387   HD12  LEU  49          2HD1      LEU  49 -16.497   6.860  -6.700
  388   HD13  LEU  49          3HD1      LEU  49 -16.964   8.560  -6.838
  389   HD21  LEU  49          3HD2      LEU  49 -15.146   6.526  -9.459
  390   HD22  LEU  49          1HD2      LEU  49 -13.550   7.079  -8.908
  391   HD23  LEU  49          2HD2      LEU  49 -14.524   5.996  -7.878
  392    H    GLY  50           H        GLY  50 -14.104  12.254  -8.691
  393    HA2  GLY  50           2HA      GLY  50 -12.934  13.531  -7.147
  394    HA3  GLY  50           3HA      GLY  50 -14.012  12.975  -5.865
  395    H    MET  51           H        MET  51 -12.110  12.745  -4.596
  396    HA   MET  51           HA       MET  51  -9.923  11.115  -5.201
  397    HB2  MET  51           2HB      MET  51 -10.742  11.748  -2.364
  398    HB3  MET  51           3HB      MET  51  -9.133  11.572  -3.061
  399    HG2  MET  51           2HG      MET  51  -9.885  13.707  -4.481
  400    HG3  MET  51           3HG      MET  51 -11.053  13.894  -3.176
  401    HE1  MET  51           3HE      MET  51  -7.605  14.671  -4.500
  402    HE2  MET  51           1HE      MET  51  -6.507  14.436  -3.123
  403    HE3  MET  51           2HE      MET  51  -7.361  13.042  -3.844
  404    H    ILE  52           H        ILE  52  -9.625   9.004  -5.133
  405    HA   ILE  52           HA       ILE  52 -11.383   7.344  -3.394
  406    HB   ILE  52           HB       ILE  52 -10.973   5.458  -4.945
  407   HG12  ILE  52          2HG1      ILE  52 -10.216   7.451  -7.108
  408   HG13  ILE  52          3HG1      ILE  52  -8.972   6.651  -6.147
  409   HG21  ILE  52          1HG2      ILE  52 -12.478   7.786  -6.187
  410   HG22  ILE  52          2HG2      ILE  52 -12.733   6.049  -6.473
  411   HG23  ILE  52          3HG2      ILE  52 -13.054   6.722  -4.866
  412   HD11  ILE  52          3HD1      ILE  52  -9.320   5.371  -8.159
  413   HD12  ILE  52          1HD1      ILE  52  -9.867   4.439  -6.750
  414   HD13  ILE  52          2HD1      ILE  52 -11.056   5.217  -7.826
  415    H    ASP  53           H        ASP  53 -10.470   5.478  -2.576
  416    HA   ASP  53           HA       ASP  53  -7.538   5.653  -1.957
  417    HB2  ASP  53           2HB      ASP  53  -9.783   4.099  -0.630
  418    HB3  ASP  53           3HB      ASP  53  -8.080   3.816  -0.309
  419    H    ARG  54           H        ARG  54  -6.863   5.053  -4.024
  420    HA   ARG  54           HA       ARG  54  -7.965   2.742  -5.408
  421    HB2  ARG  54           2HB      ARG  54  -7.019   5.004  -6.327
  422    HB3  ARG  54           3HB      ARG  54  -5.438   4.204  -6.231
  423    HG2  ARG  54           2HG      ARG  54  -6.124   2.481  -7.760
  424    HG3  ARG  54           3HG      ARG  54  -7.826   2.962  -7.633
  425    HD2  ARG  54           2HD      ARG  54  -7.398   3.982  -9.602
  426    HD3  ARG  54           3HD      ARG  54  -6.932   5.308  -8.539
  427    HE   ARG  54           HE       ARG  54  -4.586   3.853  -8.847
  428   HH11  ARG  54          1HH2      ARG  54  -6.748   5.310 -11.231
  429   HH12  ARG  54          2HH2      ARG  54  -5.464   5.372 -12.419
  430   HH21  ARG  54          1HH1      ARG  54  -3.043   4.119 -10.303
  431   HH22  ARG  54          2HH1      ARG  54  -3.392   4.752 -11.892
  432    H    TRP  55           H        TRP  55  -7.359   0.655  -5.191
  433    HA   TRP  55           HA       TRP  55  -5.150   0.070  -3.380
  434    HB2  TRP  55           2HB      TRP  55  -7.268  -1.717  -4.587
  435    HB3  TRP  55           3HB      TRP  55  -6.041  -2.245  -3.447
  436    HD1  TRP  55           HD1      TRP  55  -9.324  -0.372  -3.598
  437    HE1  TRP  55           HE1      TRP  55 -10.183   0.124  -1.245
  438    HE3  TRP  55           HE3      TRP  55  -5.175  -1.722  -0.906
  439    HZ2  TRP  55           HZ2      TRP  55  -9.181   0.063   1.451
  440    HZ3  TRP  55           HZ3      TRP  55  -5.106  -1.326   1.549
  441    HH2  TRP  55           HH2      TRP  55  -7.102  -0.459   2.739
  442    H    TYR  56           H        TYR  56  -3.574  -1.424  -3.622
  443    HA   TYR  56           HA       TYR  56  -2.567  -2.334  -6.246
  444    HB2  TYR  56           2HB      TYR  56  -1.050  -0.653  -4.201
  445    HB3  TYR  56           3HB      TYR  56  -0.369  -1.346  -5.663
  446    HD1  TYR  56           HD2      TYR  56  -0.995  -0.463  -7.880
  447    HD2  TYR  56           HD1      TYR  56  -2.400   1.395  -4.285
  448    HE1  TYR  56           HE2      TYR  56  -1.614   1.578  -9.192
  449    HE2  TYR  56           HE1      TYR  56  -3.070   3.411  -5.579
  450    HH   TYR  56           HH       TYR  56  -2.880   4.489  -7.571
  451    H    HIS  57           H        HIS  57  -0.977  -3.972  -6.055
  452    HA   HIS  57           HA       HIS  57  -1.063  -5.778  -3.752
  453    HB2  HIS  57           2HB      HIS  57   0.640  -5.734  -6.243
  454    HB3  HIS  57           3HB      HIS  57   0.861  -6.940  -5.018
  455    HD2  HIS  57           HD2      HIS  57  -1.594  -8.359  -4.367
  456    HE1  HIS  57           HE1      HIS  57  -2.861  -8.271  -8.427
  457    HE2  HIS  57           HE2      HIS  57  -3.170  -9.429  -6.198
  458    HA   PRO  58           HA       PRO  58   2.609  -4.291  -1.559
  459    HB2  PRO  58           2HB      PRO  58   3.733  -6.593  -0.594
  460    HB3  PRO  58           3HB      PRO  58   2.235  -5.859   0.055
  461    HG2  PRO  58           2HG      PRO  58   2.480  -8.104  -1.968
  462    HG3  PRO  58           3HG      PRO  58   1.450  -8.040  -0.500
  463    HD2  PRO  58           2HD      PRO  58   0.448  -7.461  -2.938
  464    HD3  PRO  58           3HD      PRO  58  -0.051  -6.509  -1.522
  465    H    GLY  59           H        GLY  59   2.998  -6.476  -4.270
  466    HA2  GLY  59           2HA      GLY  59   5.860  -5.781  -4.636
  467    HA3  GLY  59           3HA      GLY  59   4.835  -6.705  -5.735
  468    H    CYS  60           HN       CYS  60   2.710  -5.022  -6.235
  469    HA   CYS  60           HA       CYS  60   3.872  -3.437  -8.233
  470    HB2  CYS  60           2HB      CYS  60   0.990  -3.448  -7.274
  471    HB3  CYS  60           3HB      CYS  60   1.572  -2.921  -8.859
  472    H    PHE  61           H        PHE  61   2.366  -2.405  -5.124
  473    HA   PHE  61           HA       PHE  61   2.279   0.356  -5.784
  474    HB2  PHE  61           2HB      PHE  61   1.603   0.707  -3.685
  475    HB3  PHE  61           3HB      PHE  61   1.390  -1.032  -3.681
  476    HD1  PHE  61           HD2      PHE  61   3.253  -2.474  -2.701
  477    HD2  PHE  61           HD1      PHE  61   3.205   1.795  -2.304
  478    HE1  PHE  61           HE2      PHE  61   4.721  -2.662  -0.685
  479    HE2  PHE  61           HE1      PHE  61   4.690   1.626  -0.293
  480    HZ   PHE  61           HZ       PHE  61   5.415  -0.608   0.528
  481    H    VAL  62           H        VAL  62   4.988  -1.615  -4.622
  482    HA   VAL  62           HA       VAL  62   6.905   0.535  -4.426
  483    HB   VAL  62           HB       VAL  62   7.509  -2.383  -4.997
  484   HG11  VAL  62          1HG1      VAL  62   9.435  -0.860  -5.299
  485   HG12  VAL  62          2HG1      VAL  62   9.148  -0.175  -3.678
  486   HG13  VAL  62          3HG1      VAL  62   9.641  -1.871  -3.867
  487   HG21  VAL  62          3HG2      VAL  62   6.135  -2.328  -3.013
  488   HG22  VAL  62          1HG2      VAL  62   7.794  -2.539  -2.508
  489   HG23  VAL  62          2HG2      VAL  62   7.037  -0.941  -2.355
  490    H    LYS  63           H        LYS  63   6.018  -1.682  -7.096
  491    HA   LYS  63           HA       LYS  63   7.951  -0.809  -8.975
  492    HB2  LYS  63           2HB      LYS  63   6.605  -2.848  -9.237
  493    HB3  LYS  63           3HB      LYS  63   5.128  -1.894  -9.353
  494    HG2  LYS  63           2HG      LYS  63   5.899  -0.908 -11.492
  495    HG3  LYS  63           3HG      LYS  63   7.381  -1.864 -11.381
  496    HD2  LYS  63           2HD      LYS  63   5.788  -2.928 -12.894
  497    HD3  LYS  63           3HD      LYS  63   6.078  -3.943 -11.489
  498    HE2  LYS  63           2HE      LYS  63   3.736  -4.009 -12.099
  499    HE3  LYS  63           3HE      LYS  63   3.907  -3.281 -10.507
  500    HZ1  LYS  63           3HZ      LYS  63   3.441  -1.132 -11.430
  501    HZ2  LYS  63           1HZ      LYS  63   3.624  -1.660 -12.982
  502    HZ3  LYS  63           2HZ      LYS  63   2.344  -2.129 -12.091
  503    H    ASN  64           H        ASN  64   4.826   0.650  -8.142
  504    HA   ASN  64           HA       ASN  64   5.420   2.943  -9.949
  505    HB2  ASN  64           2HB      ASN  64   2.781   3.295  -9.315
  506    HB3  ASN  64           3HB      ASN  64   3.450   2.667 -10.796
  507   HD21  ASN  64          1HD2      ASN  64   1.807   1.761  -7.777
  508   HD22  ASN  64          2HD2      ASN  64   1.333   0.190  -8.423
  509    H    ARG  65           H        ARG  65   6.420   2.414  -7.010
  510    HA   ARG  65           HA       ARG  65   5.267   4.194  -5.264
  511    HB2  ARG  65           2HB      ARG  65   7.340   4.182  -4.066
  512    HB3  ARG  65           3HB      ARG  65   7.151   2.613  -4.812
  513    HG2  ARG  65           2HG      ARG  65   8.673   3.463  -6.710
  514    HG3  ARG  65           3HG      ARG  65   8.976   4.891  -5.700
  515    HD2  ARG  65           2HD      ARG  65   9.912   3.508  -3.944
  516    HD3  ARG  65           3HD      ARG  65   9.491   2.028  -4.850
  517    HE   ARG  65           HE       ARG  65  11.177   3.796  -6.397
  518   HH11  ARG  65          1HH2      ARG  65  11.396   1.365  -3.874
  519   HH12  ARG  65          2HH2      ARG  65  13.044   0.977  -4.272
  520   HH21  ARG  65          1HH1      ARG  65  13.275   3.241  -6.849
  521   HH22  ARG  65          2HH1      ARG  65  14.075   2.017  -5.910
  522    H    GLU  66           H        GLU  66   7.468   5.030  -7.864
  523    HA   GLU  66           HA       GLU  66   7.711   7.818  -7.074
  524    HB2  GLU  66           2HB      GLU  66   9.113   8.003  -9.079
  525    HB3  GLU  66           3HB      GLU  66   9.595   6.689  -7.994
  526    HG2  GLU  66           2HG      GLU  66   8.560   5.022  -9.461
  527    HG3  GLU  66           3HG      GLU  66   7.958   6.292 -10.534
  528    H    GLU  67           H        GLU  67   5.473   6.036  -9.010
  529    HA   GLU  67           HA       GLU  67   4.259   8.422 -10.238
  530    HB2  GLU  67           2HB      GLU  67   4.291   6.253 -11.427
  531    HB3  GLU  67           3HB      GLU  67   3.277   5.552 -10.160
  532    HG2  GLU  67           2HG      GLU  67   1.466   7.116 -10.682
  533    HG3  GLU  67           3HG      GLU  67   2.492   7.968 -11.840
  534    H    LEU  68           H        LEU  68   3.683   6.131  -7.530
  535    HA   LEU  68           HA       LEU  68   1.371   7.494  -6.464
  536    HB2  LEU  68           2HB      LEU  68   3.406   5.699  -5.093
  537    HB3  LEU  68           3HB      LEU  68   1.857   6.174  -4.417
  538    HG   LEU  68           HG       LEU  68   2.276   4.410  -6.868
  539   HD11  LEU  68          1HD1      LEU  68   1.211   3.798  -4.084
  540   HD12  LEU  68          2HD1      LEU  68   1.328   2.653  -5.435
  541   HD13  LEU  68          3HD1      LEU  68   2.802   3.328  -4.719
  542   HD21  LEU  68          3HD2      LEU  68  -0.101   3.995  -6.843
  543   HD22  LEU  68          1HD2      LEU  68  -0.335   5.136  -5.506
  544   HD23  LEU  68          2HD2      LEU  68   0.187   5.711  -7.116
  545    H    GLY  69           H        GLY  69   4.823   8.143  -6.131
  546    HA2  GLY  69           2HA      GLY  69   5.528  10.401  -5.799
  547    HA3  GLY  69           3HA      GLY  69   4.103  10.732  -4.818
  548    H    PHE  70           H        PHE  70   5.952   7.805  -4.179
  549    HA   PHE  70           HA       PHE  70   6.554   8.491  -1.460
  550    HB2  PHE  70           2HB      PHE  70   7.445   6.316  -3.363
  551    HB3  PHE  70           3HB      PHE  70   8.239   6.506  -1.818
  552    HD1  PHE  70           HD1      PHE  70   4.982   5.684  -3.409
  553    HD2  PHE  70           HD2      PHE  70   7.201   5.945   0.276
  554    HE1  PHE  70           HE1      PHE  70   3.248   4.325  -2.270
  555    HE2  PHE  70           HE2      PHE  70   5.453   4.603   1.417
  556    HZ   PHE  70           HZ       PHE  70   3.503   3.760   0.133
  557    H    ARG  71           H        ARG  71   8.240   9.327  -0.493
  558    HA   ARG  71           HA       ARG  71  10.870   9.672  -1.813
  559    HB2  ARG  71           2HB      ARG  71   9.367  11.798  -0.222
  560    HB3  ARG  71           3HB      ARG  71  11.087  11.882  -0.567
  561    HG2  ARG  71           2HG      ARG  71  10.733  12.088  -2.932
  562    HG3  ARG  71           3HG      ARG  71   9.013  11.702  -2.785
  563    HD2  ARG  71           2HD      ARG  71   9.332  14.119  -3.093
  564    HD3  ARG  71           3HD      ARG  71   8.557  13.713  -1.564
  565    HE   ARG  71           HE       ARG  71  10.354  14.561  -0.366
  566   HH11  ARG  71          1HH2      ARG  71  11.444  14.444  -3.712
  567   HH12  ARG  71          2HH2      ARG  71  12.883  15.346  -3.320
  568   HH21  ARG  71          1HH1      ARG  71  12.047  15.598   0.036
  569   HH22  ARG  71          2HH1      ARG  71  13.246  16.020  -1.194
  570    HA   PRO  72           HA       PRO  72  12.416   7.817   1.862
  571    HB2  PRO  72           2HB      PRO  72  14.400  10.091   2.081
  572    HB3  PRO  72           3HB      PRO  72  14.694   8.326   2.191
  573    HG2  PRO  72           2HG      PRO  72  15.260   9.634  -0.098
  574    HG3  PRO  72           3HG      PRO  72  14.390   8.065  -0.177
  575    HD2  PRO  72           2HD      PRO  72  13.230  10.867  -0.333
  576    HD3  PRO  72           3HD      PRO  72  12.896   9.444  -1.364
  577    H    GLU  73           H        GLU  73  11.706  11.300   2.173
  578    HA   GLU  73           HA       GLU  73  11.680  11.317   5.048
  579    HB2  GLU  73           2HB      GLU  73  10.711  13.519   4.839
  580    HB3  GLU  73           3HB      GLU  73  11.994  13.319   3.647
  581    HG2  GLU  73           2HG      GLU  73  10.177  12.774   1.930
  582    HG3  GLU  73           3HG      GLU  73   8.987  13.247   3.144
  583    H    TYR  74           H        TYR  74   9.414   9.945   2.869
  584    HA   TYR  74           HA       TYR  74   7.733   9.188   5.118
  585    HB2  TYR  74           2HB      TYR  74   5.602   9.775   3.822
  586    HB3  TYR  74           3HB      TYR  74   6.433  10.979   4.768
  587    HD1  TYR  74           HD1      TYR  74   7.205   9.904   1.225
  588    HD2  TYR  74           HD2      TYR  74   5.791  13.002   3.866
  589    HE1  TYR  74           HE1      TYR  74   6.971  11.448  -0.712
  590    HE2  TYR  74           HE2      TYR  74   5.592  14.556   1.931
  591    HH   TYR  74           HH       TYR  74   6.252  13.504  -1.427
  592    H    SER  75           H        SER  75   9.114   7.400   4.488
  593    HA   SER  75           HA       SER  75   8.606   5.631   2.325
  594    HB2  SER  75           2HB      SER  75   9.759   4.036   3.739
  595    HB3  SER  75           3HB      SER  75  10.523   5.620   3.907
  596    HG   SER  75           HG       SER  75  10.196   4.661   5.952
  597    H    ALA  76           H        ALA  76   7.938   3.240   3.132
  598    HA   ALA  76           HA       ALA  76   5.164   2.977   3.439
  599    HB1  ALA  76           1HB      ALA  76   6.633   1.166   2.692
  600    HB2  ALA  76           2HB      ALA  76   7.430   1.113   4.285
  601    HB3  ALA  76           3HB      ALA  76   5.721   0.656   4.123
  602    H    SER  77           H        SER  77   7.440   3.801   5.980
  603    HA   SER  77           HA       SER  77   5.920   2.901   8.238
  604    HB2  SER  77           2HB      SER  77   7.260   4.510   9.504
  605    HB3  SER  77           3HB      SER  77   8.293   3.611   8.386
  606    HG   SER  77           HG       SER  77   8.466   5.380   7.083
  607    H    GLN  78           H        GLN  78   5.429   5.523   5.996
  608    HA   GLN  78           HA       GLN  78   3.450   6.818   7.728
  609    HB2  GLN  78           2HB      GLN  78   4.749   7.917   5.223
  610    HB3  GLN  78           3HB      GLN  78   3.772   8.792   6.399
  611    HG2  GLN  78           2HG      GLN  78   6.581   7.701   6.758
  612    HG3  GLN  78           3HG      GLN  78   6.062   9.377   6.810
  613   HE21  GLN  78          2HE2      GLN  78   7.234   7.110   8.819
  614   HE22  GLN  78          1HE2      GLN  78   6.378   7.576  10.289
  615    H    LEU  79           H        LEU  79   2.907   4.308   6.265
  616    HA   LEU  79           HA       LEU  79   0.637   5.139   4.523
  617    HB2  LEU  79           2HB      LEU  79   1.813   2.458   5.368
  618    HB3  LEU  79           3HB      LEU  79   0.304   2.579   4.490
  619    HG   LEU  79           HG       LEU  79   2.818   3.789   3.316
  620   HD11  LEU  79          1HD1      LEU  79   2.010   0.888   2.911
  621   HD12  LEU  79          2HD1      LEU  79   3.366   1.745   2.172
  622   HD13  LEU  79          3HD1      LEU  79   3.364   1.407   3.914
  623   HD21  LEU  79          3HD2      LEU  79   0.485   4.105   2.369
  624   HD22  LEU  79          1HD2      LEU  79   1.690   3.478   1.245
  625   HD23  LEU  79          2HD2      LEU  79   0.503   2.387   1.961
  626    H    LYS  80           H        LYS  80  -1.402   5.279   5.235
  627    HA   LYS  80           HA       LYS  80  -2.194   5.335   7.958
  628    HB2  LYS  80           2HB      LYS  80  -3.987   4.671   5.581
  629    HB3  LYS  80           3HB      LYS  80  -4.533   5.171   7.170
  630    HG2  LYS  80           2HG      LYS  80  -3.497   7.376   6.862
  631    HG3  LYS  80           3HG      LYS  80  -2.921   6.897   5.257
  632    HD2  LYS  80           2HD      LYS  80  -5.837   7.151   6.148
  633    HD3  LYS  80           3HD      LYS  80  -4.943   8.330   5.181
  634    HE2  LYS  80           2HE      LYS  80  -4.649   6.603   3.389
  635    HE3  LYS  80           3HE      LYS  80  -5.628   5.482   4.351
  636    HZ1  LYS  80           3HZ      LYS  80  -6.971   6.589   2.645
  637    HZ2  LYS  80           1HZ      LYS  80  -7.500   7.002   4.135
  638    HZ3  LYS  80           2HZ      LYS  80  -6.613   8.062   3.265
  639    H    GLY  81           H        GLY  81  -2.464   3.767   9.444
  640    HA2  GLY  81           2HA      GLY  81  -3.134   1.752  10.384
  641    HA3  GLY  81           3HA      GLY  81  -3.650   1.182   8.800
  642    H    PHE  82           H        PHE  82  -0.377   2.114   8.505
  643    HA   PHE  82           HA       PHE  82   0.662  -0.486   8.097
  644    HB2  PHE  82           2HB      PHE  82   1.793   1.361   7.188
  645    HB3  PHE  82           3HB      PHE  82   1.829   2.238   8.709
  646    HD1  PHE  82           HD2      PHE  82   3.457   1.800  10.429
  647    HD2  PHE  82           HD1      PHE  82   3.561  -0.289   6.661
  648    HE1  PHE  82           HE2      PHE  82   5.794   1.083  10.894
  649    HE2  PHE  82           HE1      PHE  82   5.908  -0.967   7.107
  650    HZ   PHE  82           HZ       PHE  82   7.015  -0.305   9.225
  651    H    SER  83           H        SER  83   0.827   1.574  11.024
  652    HA   SER  83           HA       SER  83   2.395  -0.086  12.625
  653    HB2  SER  83           2HB      SER  83   0.160   1.805  13.454
  654    HB3  SER  83           3HB      SER  83   1.466   1.214  14.509
  655    HG   SER  83           HG       SER  83   1.947   3.278  13.617
  656    H    LEU  84           H        LEU  84  -0.933  -0.580  11.756
  657    HA   LEU  84           HA       LEU  84  -1.570  -2.332  14.042
  658    HB2  LEU  84           2HB      LEU  84  -3.215  -1.560  11.603
  659    HB3  LEU  84           3HB      LEU  84  -3.804  -2.391  13.037
  660    HG   LEU  84           HG       LEU  84  -2.783   0.484  12.938
  661   HD11  LEU  84          1HD1      LEU  84  -5.120   1.077  13.353
  662   HD12  LEU  84          2HD1      LEU  84  -4.971   0.144  11.856
  663   HD13  LEU  84          3HD1      LEU  84  -5.583  -0.639  13.328
  664   HD21  LEU  84          3HD2      LEU  84  -3.981  -1.100  15.254
  665   HD22  LEU  84          1HD2      LEU  84  -2.317  -0.480  15.151
  666   HD23  LEU  84          2HD2      LEU  84  -3.670   0.651  15.252
  667    H    LEU  85           H        LEU  85  -0.047  -2.765  11.036
  668    HA   LEU  85           HA       LEU  85  -0.953  -5.498  10.496
  669    HB2  LEU  85           2HB      LEU  85   1.488  -3.954   9.575
  670    HB3  LEU  85           3HB      LEU  85   0.999  -5.516   8.944
  671    HG   LEU  85           HG       LEU  85  -0.707  -2.999   8.702
  672   HD11  LEU  85          1HD1      LEU  85   1.153  -4.316   6.674
  673   HD12  LEU  85          2HD1      LEU  85   0.086  -2.928   6.373
  674   HD13  LEU  85          3HD1      LEU  85   1.449  -2.768   7.493
  675   HD21  LEU  85          3HD2      LEU  85  -1.836  -4.243   6.906
  676   HD22  LEU  85          1HD2      LEU  85  -0.883  -5.683   7.305
  677   HD23  LEU  85          2HD2      LEU  85  -2.041  -5.013   8.483
  678    H    ALA  86           H        ALA  86   0.773  -7.292  10.478
  679    HA   ALA  86           HA       ALA  86   1.941  -7.671  13.103
  680    HB1  ALA  86           1HB      ALA  86   2.335  -9.235  10.518
  681    HB2  ALA  86           2HB      ALA  86   2.742  -9.782  12.158
  682    HB3  ALA  86           3HB      ALA  86   1.043  -9.526  11.706
  683    H    THR  87           H        THR  87   4.141  -7.735  13.670
  684    HA   THR  87           HA       THR  87   5.845  -5.732  12.771
  685    HB   THR  87           HB       THR  87   6.718  -8.375  13.977
  686    HG1  THR  87           1HG      THR  87   6.354  -7.330  15.948
  687   HG21  THR  87          1HG2      THR  87   8.495  -6.990  15.048
  688   HG22  THR  87          2HG2      THR  87   8.631  -6.960  13.285
  689   HG23  THR  87          3HG2      THR  87   7.926  -5.570  14.139
  690    H    GLU  88           H        GLU  88   5.801  -9.145  11.678
  691    HA   GLU  88           HA       GLU  88   8.146  -9.019  10.072
  692    HB2  GLU  88           2HB      GLU  88   7.412 -11.095   9.109
  693    HB3  GLU  88           3HB      GLU  88   7.140 -11.100  10.850
  694    HG2  GLU  88           2HG      GLU  88   4.709 -10.560  10.421
  695    HG3  GLU  88           3HG      GLU  88   5.025 -10.698   8.689
  696    H    ASP  89           H        ASP  89   4.826  -8.001   9.309
  697    HA   ASP  89           HA       ASP  89   5.481  -7.523   6.465
  698    HB2  ASP  89           2HB      ASP  89   3.043  -6.898   8.166
  699    HB3  ASP  89           3HB      ASP  89   3.206  -6.459   6.468
  700    H    LYS  90           H        LYS  90   5.174  -5.655   9.482
  701    HA   LYS  90           HA       LYS  90   5.494  -3.047   8.341
  702    HB2  LYS  90           2HB      LYS  90   6.036  -4.162  11.116
  703    HB3  LYS  90           3HB      LYS  90   6.233  -2.449  10.723
  704    HG2  LYS  90           2HG      LYS  90   3.951  -2.150  10.208
  705    HG3  LYS  90           3HG      LYS  90   3.650  -3.880  10.076
  706    HD2  LYS  90           2HD      LYS  90   2.636  -3.019  12.079
  707    HD3  LYS  90           3HD      LYS  90   3.897  -4.192  12.471
  708    HE2  LYS  90           2HE      LYS  90   5.438  -2.347  13.058
  709    HE3  LYS  90           3HE      LYS  90   4.209  -1.164  12.593
  710    HZ1  LYS  90           3HZ      LYS  90   3.938  -3.149  14.796
  711    HZ2  LYS  90           1HZ      LYS  90   4.170  -1.546  14.995
  712    HZ3  LYS  90           2HZ      LYS  90   2.764  -2.101  14.358
  713    H    GLU  91           H        GLU  91   8.006  -5.352   9.500
  714    HA   GLU  91           HA       GLU  91  10.133  -3.527   8.660
  715    HB2  GLU  91           2HB      GLU  91  11.687  -5.289   9.021
  716    HB3  GLU  91           3HB      GLU  91  10.598  -5.143  10.396
  717    HG2  GLU  91           2HG      GLU  91   9.408  -7.151   9.752
  718    HG3  GLU  91           3HG      GLU  91  10.278  -7.254   8.220
  719    H    ALA  92           H        ALA  92   8.429  -6.232   6.999
  720    HA   ALA  92           HA       ALA  92  10.231  -6.339   4.810
  721    HB1  ALA  92           1HB      ALA  92   7.303  -7.129   4.972
  722    HB2  ALA  92           2HB      ALA  92   8.445  -7.610   3.696
  723    HB3  ALA  92           3HB      ALA  92   8.714  -8.149   5.363
  724    H    LEU  93           H        LEU  93   7.224  -4.385   5.185
  725    HA   LEU  93           HA       LEU  93   7.217  -3.335   2.514
  726    HB2  LEU  93           2HB      LEU  93   6.158  -2.238   5.145
  727    HB3  LEU  93           3HB      LEU  93   5.857  -1.483   3.580
  728    HG   LEU  93           HG       LEU  93   4.991  -4.332   4.195
  729   HD11  LEU  93          1HD1      LEU  93   3.415  -1.724   4.365
  730   HD12  LEU  93          2HD1      LEU  93   2.747  -3.361   4.549
  731   HD13  LEU  93          3HD1      LEU  93   3.900  -2.750   5.738
  732   HD21  LEU  93          3HD2      LEU  93   3.478  -3.974   2.286
  733   HD22  LEU  93          1HD2      LEU  93   4.155  -2.352   2.034
  734   HD23  LEU  93          2HD2      LEU  93   5.165  -3.795   1.789
  735    H    LYS  94           H        LYS  94   8.761  -2.069   5.518
  736    HA   LYS  94           HA       LYS  94   9.962   0.221   4.248
  737    HB2  LYS  94           2HB      LYS  94  10.690  -1.299   6.789
  738    HB3  LYS  94           3HB      LYS  94  11.413   0.237   6.285
  739    HG2  LYS  94           2HG      LYS  94   9.144   1.297   6.303
  740    HG3  LYS  94           3HG      LYS  94   8.464  -0.203   6.933
  741    HD2  LYS  94           2HD      LYS  94  10.520   1.585   8.297
  742    HD3  LYS  94           3HD      LYS  94   8.815   1.400   8.726
  743    HE2  LYS  94           2HE      LYS  94   9.262  -1.036   9.234
  744    HE3  LYS  94           3HE      LYS  94  10.979  -0.736   8.937
  745    HZ1  LYS  94           3HZ      LYS  94  10.896   0.962  10.730
  746    HZ2  LYS  94           1HZ      LYS  94   9.347   0.568  11.052
  747    HZ3  LYS  94           2HZ      LYS  94  10.531  -0.534  11.290
  748    H    LYS  95           H        LYS  95  11.089  -3.157   4.746
  749    HA   LYS  95           HA       LYS  95  13.689  -2.705   3.673
  750    HB2  LYS  95           2HB      LYS  95  11.974  -5.180   3.955
  751    HB3  LYS  95           3HB      LYS  95  13.530  -5.255   3.125
  752    HG2  LYS  95           2HG      LYS  95  14.728  -4.448   5.046
  753    HG3  LYS  95           3HG      LYS  95  13.238  -4.104   5.931
  754    HD2  LYS  95           2HD      LYS  95  12.693  -6.488   6.056
  755    HD3  LYS  95           3HD      LYS  95  14.098  -6.892   5.039
  756    HE2  LYS  95           2HE      LYS  95  15.615  -5.919   6.733
  757    HE3  LYS  95           3HE      LYS  95  14.232  -5.503   7.755
  758    HZ1  LYS  95           3HZ      LYS  95  15.355  -7.613   8.380
  759    HZ2  LYS  95           1HZ      LYS  95  13.771  -7.815   8.090
  760    HZ3  LYS  95           2HZ      LYS  95  14.884  -8.294   6.973
  761    H    GLN  96           H        GLN  96  10.661  -3.003   1.942
  762    HA   GLN  96           HA       GLN  96  11.951  -3.308  -0.679
  763    HB2  GLN  96           2HB      GLN  96   9.092  -2.641   0.099
  764    HB3  GLN  96           3HB      GLN  96   9.686  -2.878  -1.545
  765    HG2  GLN  96           2HG      GLN  96  10.203  -5.196  -1.144
  766    HG3  GLN  96           3HG      GLN  96   9.871  -5.045   0.579
  767   HE21  GLN  96          2HE2      GLN  96   8.337  -5.099  -2.654
  768   HE22  GLN  96          1HE2      GLN  96   6.691  -5.201  -2.036
  769    H    LEU  97           H        LEU  97  10.480  -0.562   1.142
  770    HA   LEU  97           HA       LEU  97  12.217   1.247  -0.387
  771    HB2  LEU  97           2HB      LEU  97  10.681   2.764  -1.162
  772    HB3  LEU  97           3HB      LEU  97  10.203   1.182  -1.730
  773    HG   LEU  97           HG       LEU  97   8.786   2.930   0.317
  774   HD11  LEU  97          1HD1      LEU  97   7.965   1.807  -2.384
  775   HD12  LEU  97          2HD1      LEU  97   6.978   2.833  -1.328
  776   HD13  LEU  97          3HD1      LEU  97   8.458   3.486  -2.034
  777   HD21  LEU  97          3HD2      LEU  97   7.026   1.177   0.359
  778   HD22  LEU  97          1HD2      LEU  97   8.128   0.066  -0.488
  779   HD23  LEU  97          2HD2      LEU  97   8.521   0.669   1.140
  780    HA   PRO  98           HA       PRO  98  12.093   2.206   4.035
  781    HB2  PRO  98           2HB      PRO  98  14.872   2.399   4.408
  782    HB3  PRO  98           3HB      PRO  98  13.861   0.948   4.625
  783    HG2  PRO  98           2HG      PRO  98  15.801   1.497   2.496
  784    HG3  PRO  98           3HG      PRO  98  14.933  -0.021   2.880
  785    HD2  PRO  98           2HD      PRO  98  14.359   1.940   0.791
  786    HD3  PRO  98           3HD      PRO  98  13.651   0.322   1.060
  787    H    GLY  99           H        GLY  99  12.647   4.137   5.329
  788    HA2  GLY  99           2HA      GLY  99  12.688   6.553   3.720
  789    HA3  GLY  99           3HA      GLY  99  12.356   6.411   5.438
  790    H    VAL 100           H        VAL 100  13.535   8.387   5.220
  791    HA   VAL 100           HA       VAL 100  16.454   8.454   5.090
  792    HB   VAL 100           HB       VAL 100  14.850  10.305   4.461
  793   HG11  VAL 100          1HG1      VAL 100  14.659  10.844   7.447
  794   HG12  VAL 100          2HG1      VAL 100  13.970  11.802   6.129
  795   HG13  VAL 100          3HG1      VAL 100  13.350  10.174   6.450
  796   HG21  VAL 100          3HG2      VAL 100  16.917  11.243   6.469
  797   HG22  VAL 100          1HG2      VAL 100  17.287  10.700   4.809
  798   HG23  VAL 100          2HG2      VAL 100  16.251  12.106   5.082
  799    H    LYS 101           H        LYS 101  17.677   9.379   6.916
  800    HA   LYS 101           HA       LYS 101  17.673   7.432   8.976
  801    HB2  LYS 101           2HB      LYS 101  19.619   8.713   7.763
  802    HB3  LYS 101           3HB      LYS 101  19.456   9.853   9.106
  803    HG2  LYS 101           2HG      LYS 101  19.756   7.909  10.692
  804    HG3  LYS 101           3HG      LYS 101  19.924   6.835   9.310
  805    HD2  LYS 101           2HD      LYS 101  21.730   9.264   9.713
  806    HD3  LYS 101           3HD      LYS 101  22.063   7.746  10.530
  807    HE2  LYS 101           2HE      LYS 101  21.804   7.981   7.496
  808    HE3  LYS 101           3HE      LYS 101  23.332   8.126   8.378
  809    HZ1  LYS 101           3HZ      LYS 101  23.092   5.843   7.691
  810    HZ2  LYS 101           1HZ      LYS 101  22.899   5.902   9.316
  811    HZ3  LYS 101           2HZ      LYS 101  21.594   5.728   8.292
  812    H    SER 102           H        SER 102  15.423   9.547   9.087
  813    HA   SER 102           HA       SER 102  15.306  10.094  11.974
  814    HB2  SER 102           2HB      SER 102  13.088   9.652   9.933
  815    HB3  SER 102           3HB      SER 102  12.890  10.258  11.589
  816    HG   SER 102           HG       SER 102  12.961  11.971  10.069
  817    H    GLU 103           H        GLU 103  14.844   7.379   9.770
  818    HA   GLU 103           HA       GLU 103  14.071   5.510  11.944
  819    HB2  GLU 103           2HB      GLU 103  12.867   5.359   9.813
  820    HB3  GLU 103           3HB      GLU 103  14.389   5.220   8.936
  821    HG2  GLU 103           2HG      GLU 103  13.315   3.078   9.036
  822    HG3  GLU 103           3HG      GLU 103  14.812   3.012   9.941
  823    H    GLY 104           H        GLY 104  15.365   3.745  12.492
  824    HA2  GLY 104           2HA      GLY 104  17.169   2.387  12.729
  825    HA3  GLY 104           3HA      GLY 104  17.616   2.883  11.102
  826    H    LYS 105           H        LYS 105  17.782   5.576  13.253
  827    HA   LYS 105           HA       LYS 105  20.669   5.717  12.957
  828    HB2  LYS 105           2HB      LYS 105  19.038   7.658  12.966
  829    HB3  LYS 105           3HB      LYS 105  18.856   7.434  14.709
  830    HG2  LYS 105           2HG      LYS 105  21.340   7.775  14.962
  831    HG3  LYS 105           3HG      LYS 105  21.455   8.066  13.223
  832    HD2  LYS 105           2HD      LYS 105  19.864   9.733  15.224
  833    HD3  LYS 105           3HD      LYS 105  21.453  10.143  14.564
  834    HE2  LYS 105           2HE      LYS 105  20.462  10.165  12.259
  835    HE3  LYS 105           3HE      LYS 105  18.873   9.850  12.968
  836    HZ1  LYS 105           3HZ      LYS 105  20.535  12.249  13.527
  837    HZ2  LYS 105           1HZ      LYS 105  19.204  12.218  12.584
  838    HZ3  LYS 105           2HZ      LYS 105  19.070  11.950  14.187
  839    H    ARG 106           H        ARG 106  18.457   4.791  15.500
  840    HA   ARG 106           HA       ARG 106  20.415   4.581  17.592
  841    HB2  ARG 106           2HB      ARG 106  17.985   4.973  17.947
  842    HB3  ARG 106           3HB      ARG 106  17.643   3.322  17.412
  843    HG2  ARG 106           2HG      ARG 106  18.959   2.421  19.306
  844    HG3  ARG 106           3HG      ARG 106  19.370   4.060  19.828
  845    HD2  ARG 106           2HD      ARG 106  16.543   2.935  19.643
  846    HD3  ARG 106           3HD      ARG 106  17.514   2.982  21.125
  847    HE   ARG 106           HE       ARG 106  17.491   5.615  20.195
  848   HH11  ARG 106          1HH2      ARG 106  15.037   3.372  21.299
  849   HH12  ARG 106          2HH2      ARG 106  13.988   4.650  21.850
  850   HH21  ARG 106          1HH1      ARG 106  16.103   7.195  20.910
  851   HH22  ARG 106          2HH1      ARG 106  14.585   6.755  21.635
  852    H    LYS 107           H        LYS 107  18.995   2.234  15.383
  853    HA   LYS 107           HA       LYS 107  21.316   0.456  15.557
  854    HB2  LYS 107           2HB      LYS 107  19.858  -0.358  17.416
  855    HB3  LYS 107           3HB      LYS 107  18.507  -0.505  16.300
  856    HG2  LYS 107           2HG      LYS 107  19.445  -2.684  16.736
  857    HG3  LYS 107           3HG      LYS 107  19.728  -2.273  15.045
  858    HD2  LYS 107           2HD      LYS 107  22.075  -1.647  15.596
  859    HD3  LYS 107           3HD      LYS 107  21.776  -2.037  17.303
  860    HE2  LYS 107           2HE      LYS 107  21.293  -4.384  16.688
  861    HE3  LYS 107           3HE      LYS 107  21.500  -3.989  14.974
  862    HZ1  LYS 107           3HZ      LYS 107  23.806  -3.359  15.470
  863    HZ2  LYS 107           1HZ      LYS 107  23.632  -3.819  17.031
  864    HZ3  LYS 107           2HZ      LYS 107  23.536  -4.936  15.839
  865    H    GLY 108           H        GLY 108  21.772  -0.224  13.548
  866    HA2  GLY 108           2HA      GLY 108  20.887  -1.276  11.420
  867    HA3  GLY 108           3HA      GLY 108  19.709   0.060  11.397
  868    H    ASP 109           H        ASP 109  21.656   1.961  12.428
  869    HA   ASP 109           HA       ASP 109  22.747   3.188  10.182
  870    HB2  ASP 109           2HB      ASP 109  22.285   4.090  12.463
  871    HB3  ASP 109           3HB      ASP 109  23.690   3.215  13.068
  872    H    GLU 110           H        GLU 110  24.143   0.480  11.906
  873    HA   GLU 110           HA       GLU 110  26.781   0.903  10.930
  874    HB2  GLU 110           2HB      GLU 110  25.622  -1.836  11.587
  875    HB3  GLU 110           3HB      GLU 110  27.293  -1.301  11.703
  876    HG2  GLU 110           2HG      GLU 110  26.818  -1.176  13.904
  877    HG3  GLU 110           3HG      GLU 110  26.222   0.425  13.495
  878    H    VAL 111           H        VAL 111  24.011  -0.138   9.240
  879    HA   VAL 111           HA       VAL 111  25.632  -0.996   6.884
  880    HB   VAL 111           HB       VAL 111  23.941  -2.685   6.319
  881   HG11  VAL 111          1HG1      VAL 111  25.111  -3.161   9.081
  882   HG12  VAL 111          2HG1      VAL 111  24.611  -4.382   7.895
  883   HG13  VAL 111          3HG1      VAL 111  25.990  -3.325   7.544
  884   HG21  VAL 111          3HG2      VAL 111  22.294  -3.466   7.923
  885   HG22  VAL 111          1HG2      VAL 111  22.788  -2.240   9.106
  886   HG23  VAL 111          2HG2      VAL 111  21.999  -1.753   7.591
  887    H    ASP 112           H        ASP 112  24.059   1.522   7.790
  888    HA   ASP 112           HA       ASP 112  22.419   1.905   5.308
  889    HB2  ASP 112           2HB      ASP 112  20.995   1.709   7.235
  890    HB3  ASP 112           3HB      ASP 112  21.942   2.895   8.125
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -6.470  17.800  20.211
    2    H2   GLY   1           H2       GLY   1  -5.380  18.275  21.339
    3    H3   GLY   1           H3       GLY   1  -5.341  16.745  20.755
    4    HA2  GLY   1           2HA      GLY   1  -4.776  19.192  19.207
    5    HA3  GLY   1           3HA      GLY   1  -3.563  18.034  19.781
    6    H    SER   2           H        SER   2  -2.865  17.677  17.615
    7    HA   SER   2           HA       SER   2  -4.636  16.657  15.554
    8    HB2  SER   2           2HB      SER   2  -2.483  16.305  14.323
    9    HB3  SER   2           3HB      SER   2  -2.764  17.959  14.886
   10    HG   SER   2           HG       SER   2  -0.634  17.307  15.348
   11    H    LYS   3           H        LYS   3  -4.387  14.614  14.478
   12    HA   LYS   3           HA       LYS   3  -3.573  12.296  16.179
   13    HB2  LYS   3           2HB      LYS   3  -6.277  12.683  14.826
   14    HB3  LYS   3           3HB      LYS   3  -5.709  11.164  15.529
   15    HG2  LYS   3           2HG      LYS   3  -5.468  12.300  17.748
   16    HG3  LYS   3           3HG      LYS   3  -6.193  13.758  17.059
   17    HD2  LYS   3           2HD      LYS   3  -7.542  11.028  17.223
   18    HD3  LYS   3           3HD      LYS   3  -7.798  12.375  18.342
   19    HE2  LYS   3           2HE      LYS   3  -8.609  13.788  16.453
   20    HE3  LYS   3           3HE      LYS   3  -8.408  12.419  15.351
   21    HZ1  LYS   3           3HZ      LYS   3 -10.697  12.587  16.136
   22    HZ2  LYS   3           1HZ      LYS   3 -10.047  11.195  16.680
   23    HZ3  LYS   3           2HZ      LYS   3 -10.235  12.461  17.695
   24    H    ALA   4           H        ALA   4  -3.342  10.319  15.066
   25    HA   ALA   4           HA       ALA   4  -2.189   9.092  13.595
   26    HB1  ALA   4           1HB      ALA   4  -4.102  10.314  11.568
   27    HB2  ALA   4           2HB      ALA   4  -3.250   8.763  11.420
   28    HB3  ALA   4           3HB      ALA   4  -4.483   8.975  12.676
   29    H    GLU   5           H        GLU   5  -0.886  11.455  14.191
   30    HA   GLU   5           HA       GLU   5   0.313  12.825  12.020
   31    HB2  GLU   5           2HB      GLU   5   1.114  12.235  14.886
   32    HB3  GLU   5           3HB      GLU   5   2.083  13.298  13.860
   33    HG2  GLU   5           2HG      GLU   5  -0.863  13.778  14.494
   34    HG3  GLU   5           3HG      GLU   5   0.477  14.471  15.395
   35    H    LYS   6           H        LYS   6   0.948   9.591  13.043
   36    HA   LYS   6           HA       LYS   6   3.689   9.393  12.070
   37    HB2  LYS   6           2HB      LYS   6   1.638   7.174  12.476
   38    HB3  LYS   6           3HB      LYS   6   3.377   6.981  12.331
   39    HG2  LYS   6           2HG      LYS   6   1.828   8.223  14.633
   40    HG3  LYS   6           3HG      LYS   6   2.754   6.736  14.645
   41    HD2  LYS   6           2HD      LYS   6   3.852   9.571  14.442
   42    HD3  LYS   6           3HD      LYS   6   3.937   8.518  15.842
   43    HE2  LYS   6           2HE      LYS   6   5.297   7.956  13.161
   44    HE3  LYS   6           3HE      LYS   6   6.073   8.718  14.549
   45    HZ1  LYS   6           3HZ      LYS   6   5.007   5.947  14.504
   46    HZ2  LYS   6           1HZ      LYS   6   6.589   6.408  14.550
   47    HZ3  LYS   6           2HZ      LYS   6   5.636   6.689  15.830
   48    H    THR   7           H        THR   7   0.690   9.555  10.438
   49    HA   THR   7           HA       THR   7   1.774   8.371   7.909
   50    HB   THR   7           HB       THR   7  -1.059   9.184   8.585
   51    HG1  THR   7           1HG      THR   7  -0.400   7.454   9.865
   52   HG21  THR   7          1HG2      THR   7  -0.166   8.714   6.031
   53   HG22  THR   7          2HG2      THR   7  -0.567   7.098   6.516
   54   HG23  THR   7          3HG2      THR   7  -1.781   8.401   6.596
   55    H    LEU   8           H        LEU   8   1.805   9.632   6.007
   56    HA   LEU   8           HA       LEU   8   1.821  12.534   6.345
   57    HB2  LEU   8           2HB      LEU   8   2.681  12.734   4.280
   58    HB3  LEU   8           3HB      LEU   8   3.237  11.126   4.704
   59    HG   LEU   8           HG       LEU   8   0.895  11.839   2.863
   60   HD11  LEU   8          1HD1      LEU   8   3.162  12.237   1.927
   61   HD12  LEU   8          2HD1      LEU   8   3.576  10.543   2.269
   62   HD13  LEU   8          3HD1      LEU   8   2.303  10.929   1.096
   63   HD21  LEU   8          3HD2      LEU   8   2.013   9.138   3.671
   64   HD22  LEU   8          1HD2      LEU   8   0.369   9.700   3.953
   65   HD23  LEU   8          2HD2      LEU   8   0.905   9.399   2.303
   66    H    GLY   9           H        GLY   9  -0.788  10.390   5.737
   67    HA2  GLY   9           2HA      GLY   9  -3.041  10.961   5.831
   68    HA3  GLY   9           3HA      GLY   9  -2.666  12.634   5.444
   69    H    ASP  10           H        ASP  10  -1.473  10.037   3.293
   70    HA   ASP  10           HA       ASP  10  -3.570  10.642   1.301
   71    HB2  ASP  10           2HB      ASP  10  -0.571  10.907   0.859
   72    HB3  ASP  10           3HB      ASP  10  -1.790  10.966  -0.409
   73    H    PHE  11           H        PHE  11  -1.617   8.207   2.800
   74    HA   PHE  11           HA       PHE  11  -2.811   6.251   1.015
   75    HB2  PHE  11           2HB      PHE  11  -0.562   5.046   0.699
   76    HB3  PHE  11           3HB      PHE  11  -1.015   6.350  -0.330
   77    HD1  PHE  11           HD2      PHE  11   0.925   6.148   2.950
   78    HD2  PHE  11           HD1      PHE  11   0.709   7.577  -1.110
   79    HE1  PHE  11           HE2      PHE  11   3.240   7.003   3.114
   80    HE2  PHE  11           HE1      PHE  11   2.970   8.555  -0.888
   81    HZ   PHE  11           HZ       PHE  11   4.241   8.249   1.218
   82    H    ALA  12           H        ALA  12  -2.744   4.070   1.747
   83    HA   ALA  12           HA       ALA  12  -2.515   3.770   4.705
   84    HB1  ALA  12           1HB      ALA  12  -4.784   4.600   4.086
   85    HB2  ALA  12           2HB      ALA  12  -4.987   3.187   3.035
   86    HB3  ALA  12           3HB      ALA  12  -4.821   2.966   4.786
   87    H    ALA  13           H        ALA  13  -2.694   1.593   5.497
   88    HA   ALA  13           HA       ALA  13  -2.170  -0.630   3.592
   89    HB1  ALA  13           1HB      ALA  13  -0.515   0.079   6.063
   90    HB2  ALA  13           2HB      ALA  13  -0.227  -1.263   4.927
   91    HB3  ALA  13           3HB      ALA  13  -0.034   0.417   4.393
   92    H    GLU  14           H        GLU  14  -3.210  -2.490   4.137
   93    HA   GLU  14           HA       GLU  14  -3.716  -3.224   6.944
   94    HB2  GLU  14           2HB      GLU  14  -6.136  -3.585   6.592
   95    HB3  GLU  14           3HB      GLU  14  -5.685  -1.887   6.544
   96    HG2  GLU  14           2HG      GLU  14  -5.862  -1.850   4.093
   97    HG3  GLU  14           3HG      GLU  14  -6.149  -3.593   4.059
   98    H    TYR  15           H        TYR  15  -4.722  -5.530   7.052
   99    HA   TYR  15           HA       TYR  15  -3.841  -7.272   4.856
  100    HB2  TYR  15           2HB      TYR  15  -5.681  -7.791   7.208
  101    HB3  TYR  15           3HB      TYR  15  -5.100  -9.003   6.076
  102    HD1  TYR  15           HD2      TYR  15  -2.118  -7.453   6.189
  103    HD2  TYR  15           HD1      TYR  15  -4.864  -9.314   8.966
  104    HE1  TYR  15           HE2      TYR  15  -0.228  -8.091   7.622
  105    HE2  TYR  15           HE1      TYR  15  -2.958  -9.889  10.441
  106    HH   TYR  15           HH       TYR  15  -0.714  -9.860  10.710
  107    H    ALA  16           H        ALA  16  -5.005  -8.114   3.238
  108    HA   ALA  16           HA       ALA  16  -7.330  -6.836   2.249
  109    HB1  ALA  16           1HB      ALA  16  -6.042  -9.475   1.586
  110    HB2  ALA  16           2HB      ALA  16  -7.259  -8.653   0.579
  111    HB3  ALA  16           3HB      ALA  16  -5.666  -7.907   0.851
  112    H    LYS  17           H        LYS  17  -9.198  -6.879   3.445
  113    HA   LYS  17           HA       LYS  17 -10.028  -9.048   5.107
  114    HB2  LYS  17           2HB      LYS  17 -11.751  -6.791   3.994
  115    HB3  LYS  17           3HB      LYS  17 -12.098  -7.803   5.398
  116    HG2  LYS  17           2HG      LYS  17  -9.972  -6.882   6.472
  117    HG3  LYS  17           3HG      LYS  17  -9.887  -5.727   5.129
  118    HD2  LYS  17           2HD      LYS  17 -12.257  -4.984   5.743
  119    HD3  LYS  17           3HD      LYS  17 -12.146  -6.051   7.146
  120    HE2  LYS  17           2HE      LYS  17 -11.571  -3.993   8.053
  121    HE3  LYS  17           3HE      LYS  17  -9.998  -4.748   7.775
  122    HZ1  LYS  17           3HZ      LYS  17 -11.296  -2.738   5.998
  123    HZ2  LYS  17           1HZ      LYS  17 -10.033  -2.447   6.981
  124    HZ3  LYS  17           2HZ      LYS  17  -9.834  -3.416   5.699
  125    H    SER  18           H        SER  18 -10.766  -8.360   1.764
  126    HA   SER  18           HA       SER  18 -12.092 -10.975   1.394
  127    HB2  SER  18           2HB      SER  18 -13.403  -8.356   0.532
  128    HB3  SER  18           3HB      SER  18 -14.003  -9.987   0.198
  129    HG   SER  18           HG       SER  18 -14.246 -10.268   2.483
  130    H    ASN  19           H        ASN  19 -12.112 -11.643  -0.835
  131    HA   ASN  19           HA       ASN  19  -9.898 -10.577  -2.381
  132    HB2  ASN  19           2HB      ASN  19 -10.382 -13.006  -1.968
  133    HB3  ASN  19           3HB      ASN  19 -11.810 -12.866  -2.996
  134   HD21  ASN  19          2HD2      ASN  19  -8.598 -11.343  -3.702
  135   HD22  ASN  19          1HD2      ASN  19  -8.124 -12.581  -4.847
  136    H    ARG  20           H        ARG  20 -12.264  -8.845  -2.131
  137    HA   ARG  20           HA       ARG  20 -13.355  -8.623  -4.896
  138    HB2  ARG  20           2HB      ARG  20 -14.177  -7.279  -2.299
  139    HB3  ARG  20           3HB      ARG  20 -14.916  -7.004  -3.885
  140    HG2  ARG  20           2HG      ARG  20 -15.417  -9.481  -4.027
  141    HG3  ARG  20           3HG      ARG  20 -14.864  -9.638  -2.344
  142    HD2  ARG  20           2HD      ARG  20 -16.567  -7.971  -1.650
  143    HD3  ARG  20           3HD      ARG  20 -17.106  -7.844  -3.341
  144    HE   ARG  20           HE       ARG  20 -17.211 -10.582  -2.580
  145   HH11  ARG  20          1HH2      ARG  20 -18.945  -7.635  -1.820
  146   HH12  ARG  20          2HH2      ARG  20 -20.415  -8.490  -1.434
  147   HH21  ARG  20          1HH1      ARG  20 -19.114 -11.611  -2.071
  148   HH22  ARG  20          2HH1      ARG  20 -20.499 -10.683  -1.574
  149    H    SER  21           H        SER  21 -11.003  -7.054  -2.852
  150    HA   SER  21           HA       SER  21 -10.835  -4.600  -4.423
  151    HB2  SER  21           2HB      SER  21  -8.559  -4.427  -3.273
  152    HB3  SER  21           3HB      SER  21 -10.003  -4.365  -2.259
  153    HG   SER  21           HG       SER  21  -8.591  -6.794  -2.718
  154    H    THR  22           H        THR  22  -9.220  -4.051  -5.940
  155    HA   THR  22           HA       THR  22  -7.708  -6.282  -7.221
  156    HB   THR  22           HB       THR  22  -9.285  -4.206  -8.733
  157    HG1  THR  22           1HG      THR  22 -10.698  -5.708  -7.827
  158   HG21  THR  22          1HG2      THR  22  -7.945  -6.728  -9.768
  159   HG22  THR  22          2HG2      THR  22  -8.860  -5.552 -10.723
  160   HG23  THR  22          3HG2      THR  22  -7.322  -5.076  -9.997
  161    H    CYS  23           HN       CYS  23  -5.739  -5.736  -7.889
  162    HA   CYS  23           HA       CYS  23  -4.563  -3.316  -6.894
  163    HB2  CYS  23           2HB      CYS  23  -3.469  -5.451  -6.769
  164    HB3  CYS  23           3HB      CYS  23  -3.670  -5.704  -8.503
  165    H    LYS  24           H        LYS  24  -4.731  -1.452  -7.910
  166    HA   LYS  24           HA       LYS  24  -5.120  -1.113 -10.805
  167    HB2  LYS  24           2HB      LYS  24  -4.682   0.719  -8.434
  168    HB3  LYS  24           3HB      LYS  24  -4.456   1.339 -10.066
  169    HG2  LYS  24           2HG      LYS  24  -6.700   1.805  -9.327
  170    HG3  LYS  24           3HG      LYS  24  -6.713   0.724 -10.713
  171    HD2  LYS  24           2HD      LYS  24  -7.276  -1.179  -9.297
  172    HD3  LYS  24           3HD      LYS  24  -7.072  -0.198  -7.826
  173    HE2  LYS  24           2HE      LYS  24  -8.935   1.266  -8.537
  174    HE3  LYS  24           3HE      LYS  24  -9.098   0.360 -10.045
  175    HZ1  LYS  24           3HZ      LYS  24  -9.525  -0.800  -7.340
  176    HZ2  LYS  24           1HZ      LYS  24 -10.716  -0.358  -8.370
  177    HZ3  LYS  24           2HZ      LYS  24  -9.723  -1.593  -8.757
  178    H    GLY  25           H        GLY  25  -2.395  -1.773  -8.862
  179    HA2  GLY  25           2HA      GLY  25  -0.369  -0.455 -10.464
  180    HA3  GLY  25           3HA      GLY  25  -0.114  -1.732  -9.271
  181    H    CYS  26           HN       CYS  26  -1.690  -3.766 -10.458
  182    HA   CYS  26           HA       CYS  26  -0.435  -4.185 -13.125
  183    HB2  CYS  26           2HB      CYS  26   0.255  -6.388 -12.638
  184    HB3  CYS  26           3HB      CYS  26   0.907  -5.325 -11.393
  185    H    MET  27           H        MET  27  -3.388  -4.069 -11.672
  186    HA   MET  27           HA       MET  27  -5.454  -4.620 -12.226
  187    HB2  MET  27           2HB      MET  27  -4.560  -3.696 -14.492
  188    HB3  MET  27           3HB      MET  27  -4.680  -5.369 -15.029
  189    HG2  MET  27           2HG      MET  27  -6.781  -4.741 -15.576
  190    HG3  MET  27           3HG      MET  27  -7.136  -5.108 -13.895
  191    HE1  MET  27           3HE      MET  27  -7.195  -1.417 -12.338
  192    HE2  MET  27           1HE      MET  27  -7.290  -3.153 -11.968
  193    HE3  MET  27           2HE      MET  27  -5.739  -2.426 -12.458
  194    H    GLU  28           H        GLU  28  -4.400  -6.434 -10.711
  195    HA   GLU  28           HA       GLU  28  -5.850  -8.889 -11.550
  196    HB2  GLU  28           2HB      GLU  28  -3.069  -8.906 -10.309
  197    HB3  GLU  28           3HB      GLU  28  -4.161 -10.290 -10.379
  198    HG2  GLU  28           2HG      GLU  28  -4.214 -10.075 -12.885
  199    HG3  GLU  28           3HG      GLU  28  -2.993  -8.803 -12.763
  200    H    LYS  29           H        LYS  29  -6.703 -10.112  -9.764
  201    HA   LYS  29           HA       LYS  29  -7.786  -8.306  -7.815
  202    HB2  LYS  29           2HB      LYS  29  -9.071 -10.180  -6.988
  203    HB3  LYS  29           3HB      LYS  29  -9.133 -10.091  -8.747
  204    HG2  LYS  29           2HG      LYS  29  -7.398 -11.920  -8.860
  205    HG3  LYS  29           3HG      LYS  29  -7.461 -12.028  -7.092
  206    HD2  LYS  29           2HD      LYS  29  -9.927 -12.546  -7.260
  207    HD3  LYS  29           3HD      LYS  29  -9.774 -12.491  -9.018
  208    HE2  LYS  29           2HE      LYS  29  -9.692 -14.779  -8.496
  209    HE3  LYS  29           3HE      LYS  29  -8.018 -14.332  -8.838
  210    HZ1  LYS  29           3HZ      LYS  29  -8.229 -15.701  -6.819
  211    HZ2  LYS  29           1HZ      LYS  29  -7.630 -14.235  -6.412
  212    HZ3  LYS  29           2HZ      LYS  29  -9.197 -14.579  -6.115
  213    H    ILE  30           H        ILE  30  -7.420  -7.988  -5.729
  214    HA   ILE  30           HA       ILE  30  -4.850  -8.895  -4.643
  215    HB   ILE  30           HB       ILE  30  -6.961  -6.924  -3.794
  216   HG12  ILE  30          2HG1      ILE  30  -3.989  -6.552  -4.369
  217   HG13  ILE  30          3HG1      ILE  30  -5.217  -6.476  -5.624
  218   HG21  ILE  30          1HG2      ILE  30  -6.099  -7.998  -1.698
  219   HG22  ILE  30          2HG2      ILE  30  -4.448  -7.541  -2.197
  220   HG23  ILE  30          3HG2      ILE  30  -5.689  -6.304  -1.867
  221   HD11  ILE  30          3HD1      ILE  30  -6.321  -4.591  -4.477
  222   HD12  ILE  30          1HD1      ILE  30  -5.037  -4.605  -3.235
  223   HD13  ILE  30          2HD1      ILE  30  -4.642  -4.254  -4.924
  224    H    GLU  31           H        GLU  31  -4.555 -10.625  -3.424
  225    HA   GLU  31           HA       GLU  31  -6.736 -12.422  -2.907
  226    HB2  GLU  31           2HB      GLU  31  -3.808 -12.591  -2.157
  227    HB3  GLU  31           3HB      GLU  31  -4.977 -13.907  -2.022
  228    HG2  GLU  31           2HG      GLU  31  -4.150 -12.536  -4.620
  229    HG3  GLU  31           3HG      GLU  31  -3.522 -14.059  -4.015
  230    H    LYS  32           H        LYS  32  -7.727 -13.009  -1.102
  231    HA   LYS  32           HA       LYS  32  -7.820 -11.268   1.174
  232    HB2  LYS  32           2HB      LYS  32  -9.705 -12.694   0.459
  233    HB3  LYS  32           3HB      LYS  32  -8.789 -14.145   0.898
  234    HG2  LYS  32           2HG      LYS  32  -8.754 -13.413   3.272
  235    HG3  LYS  32           3HG      LYS  32  -9.621 -11.927   2.828
  236    HD2  LYS  32           2HD      LYS  32 -11.549 -13.263   2.101
  237    HD3  LYS  32           3HD      LYS  32 -10.661 -14.763   2.465
  238    HE2  LYS  32           2HE      LYS  32 -10.497 -14.095   4.846
  239    HE3  LYS  32           3HE      LYS  32 -11.362 -12.595   4.497
  240    HZ1  LYS  32           3HZ      LYS  32 -12.854 -14.294   5.380
  241    HZ2  LYS  32           1HZ      LYS  32 -13.296 -13.929   3.854
  242    HZ3  LYS  32           2HZ      LYS  32 -12.497 -15.323   4.166
  243    H    GLY  33           H        GLY  33  -7.013 -11.401   3.184
  244    HA2  GLY  33           2HA      GLY  33  -5.713 -12.032   4.975
  245    HA3  GLY  33           3HA      GLY  33  -5.540 -13.627   4.246
  246    H    GLN  34           H        GLN  34  -4.306 -11.157   2.140
  247    HA   GLN  34           HA       GLN  34  -1.658 -11.133   3.474
  248    HB2  GLN  34           2HB      GLN  34  -0.496 -11.143   1.357
  249    HB3  GLN  34           3HB      GLN  34  -1.383 -12.624   1.642
  250    HG2  GLN  34           2HG      GLN  34  -1.586 -12.132  -0.681
  251    HG3  GLN  34           3HG      GLN  34  -3.158 -11.851   0.039
  252   HE21  GLN  34          2HE2      GLN  34  -4.068  -9.779  -0.291
  253   HE22  GLN  34          1HE2      GLN  34  -3.062  -8.354  -0.346
  254    H    VAL  35           H        VAL  35  -0.380  -9.102   2.689
  255    HA   VAL  35           HA       VAL  35  -1.927  -6.892   3.630
  256    HB   VAL  35           HB       VAL  35   0.781  -6.928   2.261
  257   HG11  VAL  35          1HG1      VAL  35  -0.539  -4.712   3.893
  258   HG12  VAL  35          2HG1      VAL  35   1.171  -4.755   3.415
  259   HG13  VAL  35          3HG1      VAL  35  -0.067  -4.632   2.177
  260   HG21  VAL  35          3HG2      VAL  35   0.745  -8.236   4.349
  261   HG22  VAL  35          1HG2      VAL  35   1.667  -6.747   4.550
  262   HG23  VAL  35          2HG2      VAL  35   0.020  -6.859   5.202
  263    H    ARG  36           H        ARG  36  -2.782  -5.061   2.655
  264    HA   ARG  36           HA       ARG  36  -2.419  -4.665  -0.238
  265    HB2  ARG  36           2HB      ARG  36  -4.711  -4.203  -0.715
  266    HB3  ARG  36           3HB      ARG  36  -4.529  -5.848  -0.093
  267    HG2  ARG  36           2HG      ARG  36  -5.482  -5.227   2.050
  268    HG3  ARG  36           3HG      ARG  36  -5.532  -3.525   1.589
  269    HD2  ARG  36           2HD      ARG  36  -7.110  -4.043  -0.253
  270    HD3  ARG  36           3HD      ARG  36  -7.078  -5.751   0.204
  271    HE   ARG  36           HE       ARG  36  -7.831  -3.962   2.407
  272   HH11  ARG  36          1HH2      ARG  36  -9.275  -5.702  -0.331
  273   HH12  ARG  36          2HH2      ARG  36 -10.837  -5.654   0.430
  274   HH21  ARG  36          1HH1      ARG  36  -9.748  -3.941   3.207
  275   HH22  ARG  36          2HH1      ARG  36 -11.143  -4.612   2.359
  276    H    LEU  37           H        LEU  37  -2.219  -2.601  -0.840
  277    HA   LEU  37           HA       LEU  37  -2.339  -0.513   1.292
  278    HB2  LEU  37           2HB      LEU  37  -0.553  -0.437  -1.159
  279    HB3  LEU  37           3HB      LEU  37  -0.578   0.636   0.261
  280    HG   LEU  37           HG       LEU  37   1.364  -0.523   0.447
  281   HD11  LEU  37          1HD1      LEU  37   1.223  -1.628   2.536
  282   HD12  LEU  37          2HD1      LEU  37  -0.028  -0.366   2.452
  283   HD13  LEU  37          3HD1      LEU  37  -0.481  -2.072   2.280
  284   HD21  LEU  37          3HD2      LEU  37   1.694  -2.889   0.423
  285   HD22  LEU  37          1HD2      LEU  37  -0.021  -3.227   0.168
  286   HD23  LEU  37          2HD2      LEU  37   0.912  -2.410  -1.105
  287    H    SER  38           H        SER  38  -2.998   1.626   0.625
  288    HA   SER  38           HA       SER  38  -4.051   1.852  -2.109
  289    HB2  SER  38           2HB      SER  38  -6.119   2.906  -1.477
  290    HB3  SER  38           3HB      SER  38  -6.020   1.293  -0.768
  291    HG   SER  38           HG       SER  38  -6.749   2.786   0.771
  292    H    LYS  39           H        LYS  39  -4.193   3.881  -2.961
  293    HA   LYS  39           HA       LYS  39  -2.888   6.154  -1.487
  294    HB2  LYS  39           2HB      LYS  39  -1.568   5.426  -3.448
  295    HB3  LYS  39           3HB      LYS  39  -3.011   5.494  -4.457
  296    HG2  LYS  39           2HG      LYS  39  -1.786   7.402  -5.016
  297    HG3  LYS  39           3HG      LYS  39  -3.122   7.988  -4.038
  298    HD2  LYS  39           2HD      LYS  39  -1.489   8.013  -2.058
  299    HD3  LYS  39           3HD      LYS  39  -0.214   7.640  -3.233
  300    HE2  LYS  39           2HE      LYS  39  -0.963   9.688  -4.543
  301    HE3  LYS  39           3HE      LYS  39  -2.042  10.082  -3.190
  302    HZ1  LYS  39           3HZ      LYS  39   0.916   9.910  -3.128
  303    HZ2  LYS  39           1HZ      LYS  39   0.031  11.268  -2.957
  304    HZ3  LYS  39           2HZ      LYS  39   0.003  10.136  -1.771
  305    H    LYS  40           H        LYS  40  -4.100   7.976  -1.223
  306    HA   LYS  40           HA       LYS  40  -6.706   8.228  -2.663
  307    HB2  LYS  40           2HB      LYS  40  -6.908   8.386  -0.302
  308    HB3  LYS  40           3HB      LYS  40  -5.622   9.558  -0.162
  309    HG2  LYS  40           2HG      LYS  40  -8.147  10.110  -1.849
  310    HG3  LYS  40           3HG      LYS  40  -8.167  10.287  -0.100
  311    HD2  LYS  40           2HD      LYS  40  -6.576  11.913  -2.088
  312    HD3  LYS  40           3HD      LYS  40  -7.850  12.445  -0.988
  313    HE2  LYS  40           2HE      LYS  40  -6.310  11.879   0.950
  314    HE3  LYS  40           3HE      LYS  40  -5.055  11.504  -0.242
  315    HZ1  LYS  40           3HZ      LYS  40  -4.641  13.658   0.381
  316    HZ2  LYS  40           1HZ      LYS  40  -5.362  13.845  -1.055
  317    HZ3  LYS  40           2HZ      LYS  40  -6.220  14.158   0.313
  318    H    MET  41           H        MET  41  -6.501   9.202  -4.589
  319    HA   MET  41           HA       MET  41  -5.270  11.826  -4.774
  320    HB2  MET  41           2HB      MET  41  -3.634  11.418  -6.477
  321    HB3  MET  41           3HB      MET  41  -3.220  10.507  -5.037
  322    HG2  MET  41           2HG      MET  41  -4.111   8.443  -6.084
  323    HG3  MET  41           3HG      MET  41  -4.555   9.364  -7.523
  324    HE1  MET  41           3HE      MET  41  -2.713   6.708  -7.454
  325    HE2  MET  41           1HE      MET  41  -3.408   7.556  -8.853
  326    HE3  MET  41           2HE      MET  41  -1.666   7.168  -8.820
  327    H    VAL  42           H        VAL  42  -5.976  13.013  -6.628
  328    HA   VAL  42           HA       VAL  42  -8.093  12.068  -8.225
  329    HB   VAL  42           HB       VAL  42  -5.983  14.125  -9.001
  330   HG11  VAL  42          1HG1      VAL  42  -8.761  13.586 -10.130
  331   HG12  VAL  42          2HG1      VAL  42  -7.760  15.006 -10.512
  332   HG13  VAL  42          3HG1      VAL  42  -7.204  13.400 -10.979
  333   HG21  VAL  42          3HG2      VAL  42  -8.718  14.493  -7.698
  334   HG22  VAL  42          1HG2      VAL  42  -7.139  14.804  -6.939
  335   HG23  VAL  42          2HG2      VAL  42  -7.672  15.798  -8.290
  336    H    ASP  43           H        ASP  43  -8.164  10.630  -9.885
  337    HA   ASP  43           HA       ASP  43  -5.809   9.130 -10.588
  338    HB2  ASP  43           2HB      ASP  43  -8.021   8.122 -10.496
  339    HB3  ASP  43           3HB      ASP  43  -8.575   9.141 -11.820
  340    HA   PRO  44           HA       PRO  44  -4.328  11.967 -13.603
  341    HB2  PRO  44           2HB      PRO  44  -2.306  10.497 -14.781
  342    HB3  PRO  44           3HB      PRO  44  -2.229  11.151 -13.118
  343    HG2  PRO  44           2HG      PRO  44  -3.077   8.356 -13.970
  344    HG3  PRO  44           3HG      PRO  44  -1.875   8.812 -12.713
  345    HD2  PRO  44           2HD      PRO  44  -4.404   8.203 -12.054
  346    HD3  PRO  44           3HD      PRO  44  -3.566   9.562 -11.246
  347    H    GLU  45           H        GLU  45  -5.869   9.017 -14.638
  348    HA   GLU  45           HA       GLU  45  -6.001   9.976 -17.476
  349    HB2  GLU  45           2HB      GLU  45  -6.642   7.252 -16.288
  350    HB3  GLU  45           3HB      GLU  45  -6.837   7.718 -17.981
  351    HG2  GLU  45           2HG      GLU  45  -4.378   8.232 -18.085
  352    HG3  GLU  45           3HG      GLU  45  -4.205   7.592 -16.449
  353    H    LYS  46           H        LYS  46  -7.700  10.108 -14.595
  354    HA   LYS  46           HA       LYS  46 -10.279  10.767 -15.925
  355    HB2  LYS  46           2HB      LYS  46  -9.963   8.907 -13.543
  356    HB3  LYS  46           3HB      LYS  46 -11.499   9.542 -14.133
  357    HG2  LYS  46           2HG      LYS  46 -11.254   8.384 -16.250
  358    HG3  LYS  46           3HG      LYS  46  -9.666   7.758 -15.793
  359    HD2  LYS  46           2HD      LYS  46 -12.251   7.228 -14.283
  360    HD3  LYS  46           3HD      LYS  46 -11.553   6.124 -15.476
  361    HE2  LYS  46           2HE      LYS  46 -10.357   6.918 -12.782
  362    HE3  LYS  46           3HE      LYS  46 -11.034   5.352 -13.230
  363    HZ1  LYS  46           3HZ      LYS  46  -8.515   6.563 -14.245
  364    HZ2  LYS  46           1HZ      LYS  46  -8.669   5.205 -13.377
  365    HZ3  LYS  46           2HZ      LYS  46  -9.195   5.216 -14.926
  366    HA   PRO  47           HA       PRO  47  -8.867  13.759 -12.582
  367    HB2  PRO  47           2HB      PRO  47  -8.635  16.060 -14.069
  368    HB3  PRO  47           3HB      PRO  47  -7.318  14.873 -13.824
  369    HG2  PRO  47           2HG      PRO  47  -9.243  15.057 -16.171
  370    HG3  PRO  47           3HG      PRO  47  -7.452  14.907 -16.214
  371    HD2  PRO  47           2HD      PRO  47  -9.050  12.751 -16.513
  372    HD3  PRO  47           3HD      PRO  47  -7.524  12.654 -15.580
  373    H    GLN  48           H        GLN  48 -11.558  13.262 -14.551
  374    HA   GLN  48           HA       GLN  48 -13.181  15.537 -13.619
  375    HB2  GLN  48           2HB      GLN  48 -13.366  14.508 -15.923
  376    HB3  GLN  48           3HB      GLN  48 -13.912  13.014 -15.164
  377    HG2  GLN  48           2HG      GLN  48 -15.812  14.220 -16.035
  378    HG3  GLN  48           3HG      GLN  48 -15.920  14.181 -14.287
  379   HE21  GLN  48          2HE2      GLN  48 -17.519  16.006 -14.804
  380   HE22  GLN  48          1HE2      GLN  48 -16.842  17.623 -14.949
  381    H    LEU  49           H        LEU  49 -12.410  12.219 -12.636
  382    HA   LEU  49           HA       LEU  49 -14.772  11.677 -11.134
  383    HB2  LEU  49           2HB      LEU  49 -13.296  10.131 -12.376
  384    HB3  LEU  49           3HB      LEU  49 -11.941  10.566 -11.324
  385    HG   LEU  49           HG       LEU  49 -12.931   9.508  -9.442
  386   HD11  LEU  49          1HD1      LEU  49 -15.007   8.113  -9.724
  387   HD12  LEU  49          2HD1      LEU  49 -15.307   9.853  -9.810
  388   HD13  LEU  49          3HD1      LEU  49 -15.258   8.896 -11.312
  389   HD21  LEU  49          3HD2      LEU  49 -12.845   7.174 -10.386
  390   HD22  LEU  49          1HD2      LEU  49 -12.948   7.879 -12.017
  391   HD23  LEU  49          2HD2      LEU  49 -11.547   8.240 -10.983
  392    H    GLY  50           H        GLY  50 -11.820  13.402 -10.400
  393    HA2  GLY  50           2HA      GLY  50 -11.053  14.401  -8.444
  394    HA3  GLY  50           3HA      GLY  50 -12.478  13.818  -7.583
  395    H    MET  51           H        MET  51 -10.908  13.364  -5.921
  396    HA   MET  51           HA       MET  51  -8.776  11.576  -6.161
  397    HB2  MET  51           2HB      MET  51 -10.103  12.138  -3.512
  398    HB3  MET  51           3HB      MET  51  -8.401  11.900  -3.896
  399    HG2  MET  51           2HG      MET  51  -8.745  14.153  -5.294
  400    HG3  MET  51           3HG      MET  51 -10.146  14.339  -4.243
  401    HE1  MET  51           3HE      MET  51  -6.460  14.968  -4.783
  402    HE2  MET  51           1HE      MET  51  -5.686  14.574  -3.234
  403    HE3  MET  51           2HE      MET  51  -6.470  13.295  -4.202
  404    H    ILE  52           H        ILE  52  -8.632   9.403  -6.086
  405    HA   ILE  52           HA       ILE  52 -10.990   7.889  -5.066
  406    HB   ILE  52           HB       ILE  52 -10.395   6.106  -6.671
  407   HG12  ILE  52          2HG1      ILE  52  -8.723   8.138  -8.193
  408   HG13  ILE  52          3HG1      ILE  52  -7.987   7.010  -7.051
  409   HG21  ILE  52          1HG2      ILE  52 -11.536   7.110  -8.532
  410   HG22  ILE  52          2HG2      ILE  52 -12.217   7.712  -7.017
  411   HG23  ILE  52          3HG2      ILE  52 -11.131   8.749  -7.981
  412   HD11  ILE  52          3HD1      ILE  52  -8.951   5.095  -8.261
  413   HD12  ILE  52          1HD1      ILE  52  -9.617   6.207  -9.485
  414   HD13  ILE  52          2HD1      ILE  52  -7.862   6.070  -9.269
  415    H    ASP  53           H        ASP  53 -10.658   5.798  -4.352
  416    HA   ASP  53           HA       ASP  53  -8.200   5.485  -2.684
  417    HB2  ASP  53           2HB      ASP  53 -10.890   4.059  -2.607
  418    HB3  ASP  53           3HB      ASP  53  -9.513   3.681  -1.573
  419    H    ARG  54           H        ARG  54  -6.827   5.004  -4.353
  420    HA   ARG  54           HA       ARG  54  -7.301   2.811  -6.263
  421    HB2  ARG  54           2HB      ARG  54  -5.917   5.245  -6.216
  422    HB3  ARG  54           3HB      ARG  54  -4.620   4.076  -6.096
  423    HG2  ARG  54           2HG      ARG  54  -5.124   3.129  -8.214
  424    HG3  ARG  54           3HG      ARG  54  -6.740   3.897  -8.268
  425    HD2  ARG  54           2HD      ARG  54  -5.689   6.124  -8.319
  426    HD3  ARG  54           3HD      ARG  54  -4.104   5.380  -8.227
  427    HE   ARG  54           HE       ARG  54  -5.891   5.529 -10.581
  428   HH11  ARG  54          1HH2      ARG  54  -2.784   4.244  -9.467
  429   HH12  ARG  54          2HH2      ARG  54  -2.019   4.723 -10.973
  430   HH21  ARG  54          1HH1      ARG  54  -4.983   5.766 -12.409
  431   HH22  ARG  54          2HH1      ARG  54  -3.300   5.290 -12.700
  432    H    TRP  55           H        TRP  55  -7.036   0.734  -5.537
  433    HA   TRP  55           HA       TRP  55  -5.196   0.162  -3.307
  434    HB2  TRP  55           2HB      TRP  55  -7.266  -1.555  -4.692
  435    HB3  TRP  55           3HB      TRP  55  -6.215  -2.119  -3.406
  436    HD1  TRP  55           HD1      TRP  55  -9.292  -0.004  -3.994
  437    HE1  TRP  55           HE1      TRP  55 -10.404   0.581  -1.764
  438    HE3  TRP  55           HE3      TRP  55  -5.644  -1.683  -0.778
  439    HZ2  TRP  55           HZ2      TRP  55  -9.782   0.415   1.040
  440    HZ3  TRP  55           HZ3      TRP  55  -5.896  -1.329   1.663
  441    HH2  TRP  55           HH2      TRP  55  -7.964  -0.320   2.587
  442    H    TYR  56           H        TYR  56  -3.652  -1.462  -3.289
  443    HA   TYR  56           HA       TYR  56  -2.522  -2.549  -5.798
  444    HB2  TYR  56           2HB      TYR  56  -1.016  -0.948  -3.692
  445    HB3  TYR  56           3HB      TYR  56  -0.317  -1.677  -5.136
  446    HD1  TYR  56           HD2      TYR  56  -1.210  -0.893  -7.408
  447    HD2  TYR  56           HD1      TYR  56  -1.866   1.275  -3.758
  448    HE1  TYR  56           HE2      TYR  56  -1.787   1.168  -8.735
  449    HE2  TYR  56           HE1      TYR  56  -2.460   3.299  -5.062
  450    HH   TYR  56           HH       TYR  56  -2.646   4.215  -7.108
  451    H    HIS  57           H        HIS  57  -1.025  -4.165  -5.506
  452    HA   HIS  57           HA       HIS  57  -1.066  -5.948  -3.146
  453    HB2  HIS  57           2HB      HIS  57   0.703  -5.892  -5.607
  454    HB3  HIS  57           3HB      HIS  57   0.829  -7.097  -4.358
  455    HD2  HIS  57           HD2      HIS  57  -1.653  -8.482  -3.853
  456    HE1  HIS  57           HE1      HIS  57  -2.732  -8.382  -7.962
  457    HE2  HIS  57           HE2      HIS  57  -3.168  -9.523  -5.759
  458    HA   PRO  58           HA       PRO  58   2.566  -4.032  -1.099
  459    HB2  PRO  58           2HB      PRO  58   3.921  -6.207  -0.105
  460    HB3  PRO  58           3HB      PRO  58   2.399  -5.571   0.591
  461    HG2  PRO  58           2HG      PRO  58   2.720  -7.846  -1.398
  462    HG3  PRO  58           3HG      PRO  58   1.787  -7.841   0.136
  463    HD2  PRO  58           2HD      PRO  58   0.530  -7.397  -2.186
  464    HD3  PRO  58           3HD      PRO  58   0.149  -6.379  -0.771
  465    H    GLY  59           H        GLY  59   3.058  -6.323  -3.686
  466    HA2  GLY  59           2HA      GLY  59   5.880  -5.560  -4.119
  467    HA3  GLY  59           3HA      GLY  59   4.870  -6.565  -5.163
  468    H    CYS  60           HN       CYS  60   2.675  -4.739  -5.520
  469    HA   CYS  60           HA       CYS  60   3.812  -3.268  -7.716
  470    HB2  CYS  60           2HB      CYS  60   0.944  -3.456  -6.768
  471    HB3  CYS  60           3HB      CYS  60   1.506  -2.982  -8.376
  472    H    PHE  61           H        PHE  61   2.246  -2.225  -4.665
  473    HA   PHE  61           HA       PHE  61   2.012   0.507  -5.401
  474    HB2  PHE  61           2HB      PHE  61   1.334   0.862  -3.301
  475    HB3  PHE  61           3HB      PHE  61   1.256  -0.895  -3.251
  476    HD1  PHE  61           HD1      PHE  61   3.122  -2.193  -2.244
  477    HD2  PHE  61           HD2      PHE  61   2.908   2.084  -1.951
  478    HE1  PHE  61           HE1      PHE  61   4.680  -2.258  -0.293
  479    HE2  PHE  61           HE2      PHE  61   4.418   2.030   0.037
  480    HZ   PHE  61           HZ       PHE  61   5.310  -0.142   0.861
  481    H    VAL  62           H        VAL  62   4.823  -1.285  -4.223
  482    HA   VAL  62           HA       VAL  62   6.703   0.892  -4.175
  483    HB   VAL  62           HB       VAL  62   7.225  -2.057  -4.713
  484   HG11  VAL  62          1HG1      VAL  62   9.485  -1.556  -3.812
  485   HG12  VAL  62          2HG1      VAL  62   9.165  -0.706  -5.322
  486   HG13  VAL  62          3HG1      VAL  62   9.077   0.174  -3.775
  487   HG21  VAL  62          3HG2      VAL  62   6.085  -1.855  -2.602
  488   HG22  VAL  62          1HG2      VAL  62   7.786  -2.106  -2.263
  489   HG23  VAL  62          2HG2      VAL  62   7.092  -0.476  -2.113
  490    H    LYS  63           H        LYS  63   5.709  -1.305  -6.853
  491    HA   LYS  63           HA       LYS  63   7.683  -0.348  -8.734
  492    HB2  LYS  63           2HB      LYS  63   5.008  -1.742  -9.116
  493    HB3  LYS  63           3HB      LYS  63   6.088  -1.321 -10.447
  494    HG2  LYS  63           2HG      LYS  63   7.895  -2.688  -9.368
  495    HG3  LYS  63           3HG      LYS  63   6.716  -3.257  -8.190
  496    HD2  LYS  63           2HD      LYS  63   6.564  -3.596 -11.218
  497    HD3  LYS  63           3HD      LYS  63   7.049  -4.853 -10.092
  498    HE2  LYS  63           2HE      LYS  63   4.300  -3.528 -10.016
  499    HE3  LYS  63           3HE      LYS  63   4.647  -4.931 -11.021
  500    HZ1  LYS  63           3HZ      LYS  63   5.113  -4.952  -8.101
  501    HZ2  LYS  63           1HZ      LYS  63   3.693  -5.423  -8.761
  502    HZ3  LYS  63           2HZ      LYS  63   5.077  -6.243  -9.111
  503    H    ASN  64           H        ASN  64   4.432   0.845  -7.936
  504    HA   ASN  64           HA       ASN  64   4.816   3.088  -9.854
  505    HB2  ASN  64           2HB      ASN  64   2.233   3.388  -9.166
  506    HB3  ASN  64           3HB      ASN  64   2.842   2.567 -10.581
  507   HD21  ASN  64          1HD2      ASN  64   1.454   2.036  -7.333
  508   HD22  ASN  64          2HD2      ASN  64   0.920   0.414  -7.763
  509    H    ARG  65           H        ARG  65   5.851   2.690  -6.849
  510    HA   ARG  65           HA       ARG  65   4.845   4.593  -5.197
  511    HB2  ARG  65           2HB      ARG  65   7.001   4.663  -4.145
  512    HB3  ARG  65           3HB      ARG  65   6.796   3.054  -4.800
  513    HG2  ARG  65           2HG      ARG  65   8.131   3.842  -6.853
  514    HG3  ARG  65           3HG      ARG  65   8.466   5.336  -5.958
  515    HD2  ARG  65           2HD      ARG  65   9.613   4.141  -4.231
  516    HD3  ARG  65           3HD      ARG  65   9.170   2.570  -4.919
  517    HE   ARG  65           HE       ARG  65  11.329   4.341  -5.757
  518   HH11  ARG  65          1HH2      ARG  65   9.266   1.746  -6.955
  519   HH12  ARG  65          2HH2      ARG  65  10.443   1.282  -8.159
  520   HH21  ARG  65          1HH1      ARG  65  12.740   3.689  -7.331
  521   HH22  ARG  65          2HH1      ARG  65  12.336   2.357  -8.370
  522    H    GLU  66           H        GLU  66   6.789   5.279  -8.030
  523    HA   GLU  66           HA       GLU  66   7.071   8.107  -7.452
  524    HB2  GLU  66           2HB      GLU  66   8.270   8.170  -9.600
  525    HB3  GLU  66           3HB      GLU  66   8.884   6.956  -8.468
  526    HG2  GLU  66           2HG      GLU  66   7.789   5.154  -9.694
  527    HG3  GLU  66           3HG      GLU  66   7.010   6.309 -10.782
  528    H    GLU  67           H        GLU  67   4.756   6.178  -9.229
  529    HA   GLU  67           HA       GLU  67   3.349   8.472 -10.404
  530    HB2  GLU  67           2HB      GLU  67   3.219   6.217 -11.423
  531    HB3  GLU  67           3HB      GLU  67   2.409   5.613  -9.972
  532    HG2  GLU  67           2HG      GLU  67   0.536   7.169 -10.327
  533    HG3  GLU  67           3HG      GLU  67   1.348   7.856 -11.735
  534    H    LEU  68           H        LEU  68   3.127   6.345  -7.519
  535    HA   LEU  68           HA       LEU  68   0.924   7.774  -6.298
  536    HB2  LEU  68           2HB      LEU  68   2.995   5.985  -4.996
  537    HB3  LEU  68           3HB      LEU  68   1.433   6.429  -4.327
  538    HG   LEU  68           HG       LEU  68   2.031   4.571  -6.644
  539   HD11  LEU  68          1HD1      LEU  68   2.228   3.589  -4.436
  540   HD12  LEU  68          2HD1      LEU  68   0.594   4.155  -4.012
  541   HD13  LEU  68          3HD1      LEU  68   0.818   2.936  -5.281
  542   HD21  LEU  68          3HD2      LEU  68  -0.243   4.234  -7.055
  543   HD22  LEU  68          1HD2      LEU  68  -0.743   5.388  -5.789
  544   HD23  LEU  68          2HD2      LEU  68   0.062   5.944  -7.280
  545    H    GLY  69           H        GLY  69   4.292   8.568  -6.452
  546    HA2  GLY  69           2HA      GLY  69   5.096  10.733  -6.081
  547    HA3  GLY  69           3HA      GLY  69   3.678  11.124  -5.111
  548    H    PHE  70           H        PHE  70   5.473   8.222  -4.300
  549    HA   PHE  70           HA       PHE  70   6.025   8.994  -1.605
  550    HB2  PHE  70           2HB      PHE  70   6.926   6.760  -3.410
  551    HB3  PHE  70           3HB      PHE  70   7.698   6.987  -1.860
  552    HD1  PHE  70           HD1      PHE  70   4.454   6.156  -3.462
  553    HD2  PHE  70           HD2      PHE  70   6.626   6.480   0.217
  554    HE1  PHE  70           HE1      PHE  70   2.737   4.754  -2.336
  555    HE2  PHE  70           HE2      PHE  70   4.942   5.046   1.350
  556    HZ   PHE  70           HZ       PHE  70   2.996   4.179   0.066
  557    H    ARG  71           H        ARG  71   7.726   9.912  -0.613
  558    HA   ARG  71           HA       ARG  71  10.354  10.174  -1.968
  559    HB2  ARG  71           2HB      ARG  71   8.928  12.241  -0.235
  560    HB3  ARG  71           3HB      ARG  71  10.628  12.334  -0.675
  561    HG2  ARG  71           2HG      ARG  71  10.046  12.419  -3.076
  562    HG3  ARG  71           3HG      ARG  71   8.316  12.364  -2.666
  563    HD2  ARG  71           2HD      ARG  71   8.524  14.430  -1.368
  564    HD3  ARG  71           3HD      ARG  71  10.259  14.473  -1.653
  565    HE   ARG  71           HE       ARG  71   9.925  14.976  -3.965
  566   HH11  ARG  71          1HH2      ARG  71   6.852  15.067  -2.256
  567   HH12  ARG  71          2HH2      ARG  71   6.150  16.147  -3.432
  568   HH21  ARG  71          1HH1      ARG  71   8.934  16.286  -5.435
  569   HH22  ARG  71          2HH1      ARG  71   7.286  16.784  -5.192
  570    HA   PRO  72           HA       PRO  72  12.103   8.087   1.421
  571    HB2  PRO  72           2HB      PRO  72  14.109  10.312   1.775
  572    HB3  PRO  72           3HB      PRO  72  14.391   8.551   1.623
  573    HG2  PRO  72           2HG      PRO  72  14.802  10.172  -0.505
  574    HG3  PRO  72           3HG      PRO  72  13.939   8.614  -0.735
  575    HD2  PRO  72           2HD      PRO  72  12.742  11.391  -0.432
  576    HD3  PRO  72           3HD      PRO  72  12.360  10.119  -1.626
  577    H    GLU  73           H        GLU  73  11.451  11.506   2.143
  578    HA   GLU  73           HA       GLU  73  11.581  11.178   5.025
  579    HB2  GLU  73           2HB      GLU  73  10.771  13.447   5.131
  580    HB3  GLU  73           3HB      GLU  73  12.073  13.298   3.954
  581    HG2  GLU  73           2HG      GLU  73  10.358  13.239   2.111
  582    HG3  GLU  73           3HG      GLU  73   9.102  13.475   3.328
  583    H    TYR  74           H        TYR  74   9.268  10.049   2.839
  584    HA   TYR  74           HA       TYR  74   7.482   9.396   5.045
  585    HB2  TYR  74           2HB      TYR  74   5.437  10.173   3.821
  586    HB3  TYR  74           3HB      TYR  74   6.440  11.393   4.544
  587    HD1  TYR  74           HD1      TYR  74   6.041   9.722   1.165
  588    HD2  TYR  74           HD2      TYR  74   6.791  13.353   3.361
  589    HE1  TYR  74           HE1      TYR  74   5.839  11.036  -0.919
  590    HE2  TYR  74           HE2      TYR  74   6.690  14.649   1.231
  591    HH   TYR  74           HH       TYR  74   5.826  13.039  -1.871
  592    H    SER  75           H        SER  75   9.185   7.652   3.756
  593    HA   SER  75           HA       SER  75   7.893   6.027   1.789
  594    HB2  SER  75           2HB      SER  75  10.006   5.305   3.813
  595    HB3  SER  75           3HB      SER  75   9.570   4.382   2.362
  596    HG   SER  75           HG       SER  75  11.339   5.690   1.899
  597    H    ALA  76           H        ALA  76   7.878   3.424   2.757
  598    HA   ALA  76           HA       ALA  76   5.223   3.114   3.239
  599    HB1  ALA  76           1HB      ALA  76   5.754   0.779   3.751
  600    HB2  ALA  76           2HB      ALA  76   6.790   1.377   2.443
  601    HB3  ALA  76           3HB      ALA  76   7.444   1.207   4.089
  602    H    SER  77           H        SER  77   7.424   3.828   5.892
  603    HA   SER  77           HA       SER  77   5.798   2.868   8.051
  604    HB2  SER  77           2HB      SER  77   7.677   5.262   8.006
  605    HB3  SER  77           3HB      SER  77   7.117   4.379   9.439
  606    HG   SER  77           HG       SER  77   9.220   3.730   8.755
  607    H    GLN  78           H        GLN  78   5.472   5.685   5.945
  608    HA   GLN  78           HA       GLN  78   3.585   7.016   7.698
  609    HB2  GLN  78           2HB      GLN  78   5.091   7.754   5.196
  610    HB3  GLN  78           3HB      GLN  78   3.671   8.676   5.630
  611    HG2  GLN  78           2HG      GLN  78   5.684   9.760   6.456
  612    HG3  GLN  78           3HG      GLN  78   4.574   9.346   7.738
  613   HE21  GLN  78          2HE2      GLN  78   5.277   7.958   9.402
  614   HE22  GLN  78          1HE2      GLN  78   6.945   7.374   9.477
  615    H    LEU  79           H        LEU  79   2.902   4.376   6.324
  616    HA   LEU  79           HA       LEU  79   0.402   5.166   4.902
  617    HB2  LEU  79           2HB      LEU  79   1.686   2.497   5.569
  618    HB3  LEU  79           3HB      LEU  79   0.115   2.661   4.800
  619    HG   LEU  79           HG       LEU  79   2.540   3.894   3.477
  620   HD11  LEU  79          1HD1      LEU  79   2.991   1.861   2.230
  621   HD12  LEU  79          2HD1      LEU  79   3.176   1.506   3.953
  622   HD13  LEU  79          3HD1      LEU  79   1.727   0.982   3.103
  623   HD21  LEU  79          3HD2      LEU  79   0.136   2.472   2.279
  624   HD22  LEU  79          1HD2      LEU  79   0.146   4.188   2.685
  625   HD23  LEU  79          2HD2      LEU  79   1.279   3.565   1.475
  626    H    LYS  80           H        LYS  80  -1.551   5.233   5.872
  627    HA   LYS  80           HA       LYS  80  -1.957   5.060   8.666
  628    HB2  LYS  80           2HB      LYS  80  -4.066   4.516   6.526
  629    HB3  LYS  80           3HB      LYS  80  -4.363   4.911   8.220
  630    HG2  LYS  80           2HG      LYS  80  -3.149   7.085   7.841
  631    HG3  LYS  80           3HG      LYS  80  -3.143   6.704   6.104
  632    HD2  LYS  80           2HD      LYS  80  -5.604   7.045   7.882
  633    HD3  LYS  80           3HD      LYS  80  -4.962   8.260   6.771
  634    HE2  LYS  80           2HE      LYS  80  -5.371   6.739   4.852
  635    HE3  LYS  80           3HE      LYS  80  -6.026   5.519   5.957
  636    HZ1  LYS  80           3HZ      LYS  80  -7.780   7.100   6.561
  637    HZ2  LYS  80           1HZ      LYS  80  -7.181   8.227   5.541
  638    HZ3  LYS  80           2HZ      LYS  80  -7.800   6.838   4.951
  639    H    GLY  81           H        GLY  81  -2.253   3.411  10.072
  640    HA2  GLY  81           2HA      GLY  81  -2.740   1.309  10.915
  641    HA3  GLY  81           3HA      GLY  81  -3.455   0.879   9.360
  642    H    PHE  82           H        PHE  82  -0.200   1.836   8.858
  643    HA   PHE  82           HA       PHE  82   0.797  -0.717   8.111
  644    HB2  PHE  82           2HB      PHE  82   1.885   1.179   7.269
  645    HB3  PHE  82           3HB      PHE  82   1.974   1.973   8.832
  646    HD1  PHE  82           HD2      PHE  82   3.708   1.515  10.442
  647    HD2  PHE  82           HD1      PHE  82   3.677  -0.398   6.576
  648    HE1  PHE  82           HE2      PHE  82   6.091   0.877  10.738
  649    HE2  PHE  82           HE1      PHE  82   6.068  -1.001   6.868
  650    HZ   PHE  82           HZ       PHE  82   7.266  -0.388   8.947
  651    H    SER  83           H        SER  83   0.994   1.067  11.186
  652    HA   SER  83           HA       SER  83   2.712  -0.651  12.633
  653    HB2  SER  83           2HB      SER  83   1.744   0.536  14.598
  654    HB3  SER  83           3HB      SER  83   2.214   1.632  13.279
  655    HG   SER  83           HG       SER  83   0.125   2.118  14.137
  656    H    LEU  84           H        LEU  84  -0.656  -1.084  11.826
  657    HA   LEU  84           HA       LEU  84  -1.221  -2.971  14.007
  658    HB2  LEU  84           2HB      LEU  84  -2.928  -2.158  11.628
  659    HB3  LEU  84           3HB      LEU  84  -3.469  -3.011  13.067
  660    HG   LEU  84           HG       LEU  84  -2.474  -0.125  12.980
  661   HD11  LEU  84          1HD1      LEU  84  -4.805   0.440  13.463
  662   HD12  LEU  84          2HD1      LEU  84  -4.685  -0.470  11.947
  663   HD13  LEU  84          3HD1      LEU  84  -5.254  -1.280  13.423
  664   HD21  LEU  84          3HD2      LEU  84  -3.598  -1.755  15.303
  665   HD22  LEU  84          1HD2      LEU  84  -1.942  -1.116  15.164
  666   HD23  LEU  84          2HD2      LEU  84  -3.301  -0.001  15.318
  667    H    LEU  85           H        LEU  85   0.257  -3.264  10.970
  668    HA   LEU  85           HA       LEU  85  -0.625  -5.983  10.308
  669    HB2  LEU  85           2HB      LEU  85   1.864  -4.456   9.490
  670    HB3  LEU  85           3HB      LEU  85   1.262  -5.915   8.726
  671    HG   LEU  85           HG       LEU  85  -0.232  -3.249   8.713
  672   HD11  LEU  85          1HD1      LEU  85   1.490  -4.560   6.571
  673   HD12  LEU  85          2HD1      LEU  85   0.534  -3.072   6.383
  674   HD13  LEU  85          3HD1      LEU  85   1.909  -3.102   7.498
  675   HD21  LEU  85          3HD2      LEU  85  -1.520  -4.226   6.898
  676   HD22  LEU  85          1HD2      LEU  85  -0.644  -5.754   7.076
  677   HD23  LEU  85          2HD2      LEU  85  -1.715  -5.183   8.379
  678    H    ALA  86           H        ALA  86   1.007  -7.819  10.287
  679    HA   ALA  86           HA       ALA  86   2.350  -8.243  12.798
  680    HB1  ALA  86           1HB      ALA  86   2.528  -9.641  10.098
  681    HB2  ALA  86           2HB      ALA  86   3.303 -10.230  11.590
  682    HB3  ALA  86           3HB      ALA  86   1.539 -10.115  11.496
  683    H    THR  87           H        THR  87   4.546  -8.207  13.313
  684    HA   THR  87           HA       THR  87   6.060  -6.040  12.424
  685    HB   THR  87           HB       THR  87   7.147  -8.562  13.699
  686    HG1  THR  87           1HG      THR  87   6.576  -7.553  15.639
  687   HG21  THR  87          1HG2      THR  87   8.029  -5.638  13.886
  688   HG22  THR  87          2HG2      THR  87   8.695  -6.973  14.855
  689   HG23  THR  87          3HG2      THR  87   8.930  -6.955  13.104
  690    H    GLU  88           H        GLU  88   6.266  -9.424  11.279
  691    HA   GLU  88           HA       GLU  88   8.591  -9.041   9.638
  692    HB2  GLU  88           2HB      GLU  88   8.006 -11.141   8.608
  693    HB3  GLU  88           3HB      GLU  88   7.828 -11.237  10.358
  694    HG2  GLU  88           2HG      GLU  88   5.340 -10.926  10.077
  695    HG3  GLU  88           3HG      GLU  88   5.569 -10.960   8.327
  696    H    ASP  89           H        ASP  89   5.183  -8.265   9.043
  697    HA   ASP  89           HA       ASP  89   5.653  -7.724   6.176
  698    HB2  ASP  89           2HB      ASP  89   3.246  -7.346   7.984
  699    HB3  ASP  89           3HB      ASP  89   3.310  -6.779   6.319
  700    H    LYS  90           H        LYS  90   5.308  -5.844   9.203
  701    HA   LYS  90           HA       LYS  90   5.630  -3.224   8.047
  702    HB2  LYS  90           2HB      LYS  90   6.263  -4.409  10.774
  703    HB3  LYS  90           3HB      LYS  90   6.604  -2.716  10.407
  704    HG2  LYS  90           2HG      LYS  90   4.415  -2.093  10.348
  705    HG3  LYS  90           3HG      LYS  90   3.882  -3.603   9.629
  706    HD2  LYS  90           2HD      LYS  90   2.886  -3.447  11.773
  707    HD3  LYS  90           3HD      LYS  90   4.078  -4.740  11.820
  708    HE2  LYS  90           2HE      LYS  90   5.662  -3.271  13.006
  709    HE3  LYS  90           3HE      LYS  90   4.522  -1.921  12.872
  710    HZ1  LYS  90           3HZ      LYS  90   2.940  -3.184  14.220
  711    HZ2  LYS  90           1HZ      LYS  90   3.965  -4.453  14.334
  712    HZ3  LYS  90           2HZ      LYS  90   4.347  -3.031  15.044
  713    H    GLU  91           H        GLU  91   8.079  -5.587   9.131
  714    HA   GLU  91           HA       GLU  91  10.365  -4.008   8.328
  715    HB2  GLU  91           2HB      GLU  91   9.927  -6.988   8.727
  716    HB3  GLU  91           3HB      GLU  91  11.484  -6.314   8.253
  717    HG2  GLU  91           2HG      GLU  91  10.000  -5.444  10.767
  718    HG3  GLU  91           3HG      GLU  91  11.173  -6.756  10.727
  719    H    ALA  92           H        ALA  92   8.564  -6.618   6.559
  720    HA   ALA  92           HA       ALA  92  10.160  -6.526   4.244
  721    HB1  ALA  92           1HB      ALA  92   8.599  -8.326   4.778
  722    HB2  ALA  92           2HB      ALA  92   7.219  -7.230   4.525
  723    HB3  ALA  92           3HB      ALA  92   8.273  -7.669   3.162
  724    H    LEU  93           H        LEU  93   7.248  -4.530   4.960
  725    HA   LEU  93           HA       LEU  93   7.073  -3.288   2.379
  726    HB2  LEU  93           2HB      LEU  93   6.187  -2.474   5.167
  727    HB3  LEU  93           3HB      LEU  93   5.824  -1.504   3.743
  728    HG   LEU  93           HG       LEU  93   4.922  -4.399   4.051
  729   HD11  LEU  93          1HD1      LEU  93   2.720  -3.435   4.581
  730   HD12  LEU  93          2HD1      LEU  93   3.922  -2.948   5.782
  731   HD13  LEU  93          3HD1      LEU  93   3.405  -1.796   4.526
  732   HD21  LEU  93          3HD2      LEU  93   5.010  -3.646   1.712
  733   HD22  LEU  93          1HD2      LEU  93   3.340  -3.814   2.262
  734   HD23  LEU  93          2HD2      LEU  93   4.064  -2.197   2.138
  735    H    LYS  94           H        LYS  94   8.824  -2.288   5.361
  736    HA   LYS  94           HA       LYS  94  10.016   0.078   4.182
  737    HB2  LYS  94           2HB      LYS  94  10.881  -1.692   6.493
  738    HB3  LYS  94           3HB      LYS  94  11.659  -0.164   6.070
  739    HG2  LYS  94           2HG      LYS  94   9.574   1.076   6.484
  740    HG3  LYS  94           3HG      LYS  94   8.734  -0.417   6.901
  741    HD2  LYS  94           2HD      LYS  94  11.113   0.783   8.389
  742    HD3  LYS  94           3HD      LYS  94   9.426   0.812   8.923
  743    HE2  LYS  94           2HE      LYS  94   9.408  -1.673   9.028
  744    HE3  LYS  94           3HE      LYS  94  11.084  -1.711   8.477
  745    HZ1  LYS  94           3HZ      LYS  94  10.135  -0.652  11.067
  746    HZ2  LYS  94           1HZ      LYS  94  11.116  -1.952  10.777
  747    HZ3  LYS  94           2HZ      LYS  94  11.664  -0.436  10.505
  748    H    LYS  95           H        LYS  95  11.085  -3.331   4.432
  749    HA   LYS  95           HA       LYS  95  13.674  -2.861   3.337
  750    HB2  LYS  95           2HB      LYS  95  11.997  -5.363   3.615
  751    HB3  LYS  95           3HB      LYS  95  13.599  -5.404   2.869
  752    HG2  LYS  95           2HG      LYS  95  14.672  -4.538   4.843
  753    HG3  LYS  95           3HG      LYS  95  13.131  -4.205   5.632
  754    HD2  LYS  95           2HD      LYS  95  12.626  -6.652   5.660
  755    HD3  LYS  95           3HD      LYS  95  14.217  -6.964   4.928
  756    HE2  LYS  95           2HE      LYS  95  15.302  -5.806   6.866
  757    HE3  LYS  95           3HE      LYS  95  13.712  -5.556   7.596
  758    HZ1  LYS  95           3HZ      LYS  95  14.776  -7.509   8.522
  759    HZ2  LYS  95           1HZ      LYS  95  13.465  -7.999   7.682
  760    HZ3  LYS  95           2HZ      LYS  95  14.962  -8.199   7.053
  761    H    GLN  96           H        GLN  96  10.663  -3.059   1.665
  762    HA   GLN  96           HA       GLN  96  12.030  -3.146  -0.985
  763    HB2  GLN  96           2HB      GLN  96   9.085  -3.207  -0.240
  764    HB3  GLN  96           3HB      GLN  96   9.719  -3.243  -1.885
  765    HG2  GLN  96           2HG      GLN  96  10.277  -5.374   0.224
  766    HG3  GLN  96           3HG      GLN  96   9.045  -5.480  -1.020
  767   HE21  GLN  96          2HE2      GLN  96  10.898  -7.507  -0.881
  768   HE22  GLN  96          1HE2      GLN  96  11.991  -7.377  -2.253
  769    H    LEU  97           H        LEU  97  10.202  -0.932   1.136
  770    HA   LEU  97           HA       LEU  97  11.159   1.346  -0.510
  771    HB2  LEU  97           2HB      LEU  97   8.930   0.792  -1.267
  772    HB3  LEU  97           3HB      LEU  97   8.294   0.849   0.374
  773    HG   LEU  97           HG       LEU  97   8.570   3.253   0.483
  774   HD11  LEU  97          1HD1      LEU  97  10.017   3.011  -2.182
  775   HD12  LEU  97          2HD1      LEU  97   9.438   4.546  -1.479
  776   HD13  LEU  97          3HD1      LEU  97  10.684   3.615  -0.646
  777   HD21  LEU  97          3HD2      LEU  97   7.126   3.933  -1.389
  778   HD22  LEU  97          1HD2      LEU  97   7.476   2.409  -2.229
  779   HD23  LEU  97          2HD2      LEU  97   6.605   2.400  -0.681
  780    HA   PRO  98           HA       PRO  98  11.821   2.143   3.954
  781    HB2  PRO  98           2HB      PRO  98  14.564   2.427   3.953
  782    HB3  PRO  98           3HB      PRO  98  13.710   0.869   4.064
  783    HG2  PRO  98           2HG      PRO  98  15.203   2.006   1.760
  784    HG3  PRO  98           3HG      PRO  98  14.752   0.306   2.106
  785    HD2  PRO  98           2HD      PRO  98  13.450   2.190   0.329
  786    HD3  PRO  98           3HD      PRO  98  13.044   0.482   0.649
  787    H    GLY  99           H        GLY  99  12.299   4.105   5.131
  788    HA2  GLY  99           2HA      GLY  99  13.225   6.488   3.588
  789    HA3  GLY  99           3HA      GLY  99  11.746   6.514   4.541
  790    H    VAL 100           H        VAL 100  12.840   8.324   5.426
  791    HA   VAL 100           HA       VAL 100  15.199   8.207   7.043
  792    HB   VAL 100           HB       VAL 100  12.930  10.236   7.013
  793   HG11  VAL 100          1HG1      VAL 100  15.740  10.458   8.193
  794   HG12  VAL 100          2HG1      VAL 100  14.591  11.799   8.004
  795   HG13  VAL 100          3HG1      VAL 100  14.212  10.482   9.104
  796   HG21  VAL 100          3HG2      VAL 100  14.476  11.580   5.631
  797   HG22  VAL 100          1HG2      VAL 100  15.669  10.263   5.662
  798   HG23  VAL 100          2HG2      VAL 100  14.116  10.050   4.834
  799    H    LYS 101           H        LYS 101  15.522   7.792   9.093
  800    HA   LYS 101           HA       LYS 101  13.293   6.723  10.783
  801    HB2  LYS 101           2HB      LYS 101  16.241   6.015  10.615
  802    HB3  LYS 101           3HB      LYS 101  15.152   5.379  11.861
  803    HG2  LYS 101           2HG      LYS 101  13.762   4.271  10.281
  804    HG3  LYS 101           3HG      LYS 101  14.519   5.096   8.912
  805    HD2  LYS 101           2HD      LYS 101  16.726   3.926   9.617
  806    HD3  LYS 101           3HD      LYS 101  15.710   2.926  10.664
  807    HE2  LYS 101           2HE      LYS 101  15.996   1.712   8.628
  808    HE3  LYS 101           3HE      LYS 101  14.335   2.314   8.621
  809    HZ1  LYS 101           3HZ      LYS 101  16.618   3.575   7.178
  810    HZ2  LYS 101           1HZ      LYS 101  15.465   2.663   6.477
  811    HZ3  LYS 101           2HZ      LYS 101  15.074   4.118   7.119
  812    H    SER 102           H        SER 102  13.147   9.247  11.040
  813    HA   SER 102           HA       SER 102  14.819  10.655  12.805
  814    HB2  SER 102           2HB      SER 102  11.801  10.895  12.504
  815    HB3  SER 102           3HB      SER 102  12.896  12.130  13.160
  816    HG   SER 102           HG       SER 102  12.417  12.509  10.958
  817    H    GLU 103           H        GLU 103  12.438   8.190  13.622
  818    HA   GLU 103           HA       GLU 103  12.350   8.792  16.483
  819    HB2  GLU 103           2HB      GLU 103  11.498   6.364  14.844
  820    HB3  GLU 103           3HB      GLU 103  11.228   6.553  16.582
  821    HG2  GLU 103           2HG      GLU 103   9.944   8.652  16.140
  822    HG3  GLU 103           3HG      GLU 103  10.101   8.355  14.406
  823    H    GLY 104           H        GLY 104  14.388   6.737  14.440
  824    HA2  GLY 104           2HA      GLY 104  16.246   5.491  14.870
  825    HA3  GLY 104           3HA      GLY 104  16.448   6.489  16.314
  826    H    LYS 105           H        LYS 105  13.636   4.364  15.999
  827    HA   LYS 105           HA       LYS 105  14.339   3.137  18.574
  828    HB2  LYS 105           2HB      LYS 105  11.863   3.062  16.807
  829    HB3  LYS 105           3HB      LYS 105  11.988   2.173  18.328
  830    HG2  LYS 105           2HG      LYS 105  12.291   4.203  19.610
  831    HG3  LYS 105           3HG      LYS 105  12.374   5.181  18.139
  832    HD2  LYS 105           2HD      LYS 105  10.049   4.558  17.566
  833    HD3  LYS 105           3HD      LYS 105   9.937   3.595  19.055
  834    HE2  LYS 105           2HE      LYS 105  10.255   5.571  20.437
  835    HE3  LYS 105           3HE      LYS 105  10.631   6.564  19.021
  836    HZ1  LYS 105           3HZ      LYS 105   8.328   6.872  19.753
  837    HZ2  LYS 105           1HZ      LYS 105   8.377   6.267  18.233
  838    HZ3  LYS 105           2HZ      LYS 105   7.991   5.291  19.500
  839    H    ARG 106           H        ARG 106  14.508   2.049  15.287
  840    HA   ARG 106           HA       ARG 106  13.882  -0.693  15.891
  841    HB2  ARG 106           2HB      ARG 106  13.334   0.569  13.794
  842    HB3  ARG 106           3HB      ARG 106  15.010   0.397  13.280
  843    HG2  ARG 106           2HG      ARG 106  13.534  -2.103  14.119
  844    HG3  ARG 106           3HG      ARG 106  12.990  -1.324  12.641
  845    HD2  ARG 106           2HD      ARG 106  15.094  -1.564  11.562
  846    HD3  ARG 106           3HD      ARG 106  15.918  -2.018  13.044
  847    HE   ARG 106           HE       ARG 106  14.138  -3.728  11.391
  848   HH11  ARG 106          1HH2      ARG 106  15.809  -3.565  14.501
  849   HH12  ARG 106          2HH2      ARG 106  15.874  -5.306  14.610
  850   HH21  ARG 106          1HH1      ARG 106  14.224  -5.797  11.615
  851   HH22  ARG 106          2HH1      ARG 106  14.973  -6.580  13.011
  852    H    LYS 107           H        LYS 107  16.880   0.926  16.029
  853    HA   LYS 107           HA       LYS 107  18.253  -1.599  16.750
  854    HB2  LYS 107           2HB      LYS 107  19.177   0.352  14.603
  855    HB3  LYS 107           3HB      LYS 107  20.343  -0.594  15.496
  856    HG2  LYS 107           2HG      LYS 107  18.093  -1.742  13.795
  857    HG3  LYS 107           3HG      LYS 107  19.769  -1.583  13.310
  858    HD2  LYS 107           2HD      LYS 107  18.731  -3.393  15.538
  859    HD3  LYS 107           3HD      LYS 107  19.279  -3.883  13.935
  860    HE2  LYS 107           2HE      LYS 107  21.550  -2.961  14.436
  861    HE3  LYS 107           3HE      LYS 107  21.006  -2.541  16.064
  862    HZ1  LYS 107           3HZ      LYS 107  22.147  -4.610  16.121
  863    HZ2  LYS 107           1HZ      LYS 107  20.596  -4.927  16.469
  864    HZ3  LYS 107           2HZ      LYS 107  21.180  -5.294  14.975
  865    H    GLY 108           H        GLY 108  19.740  -1.419  18.320
  866    HA2  GLY 108           2HA      GLY 108  19.897   1.108  19.849
  867    HA3  GLY 108           3HA      GLY 108  20.362  -0.500  20.392
  868    H    ASP 109           H        ASP 109  21.641   0.419  17.302
  869    HA   ASP 109           HA       ASP 109  23.734   0.491  16.531
  870    HB2  ASP 109           2HB      ASP 109  23.450   2.804  17.427
  871    HB3  ASP 109           3HB      ASP 109  24.356   2.323  18.860
  872    H    GLU 110           H        GLU 110  23.158  -1.726  18.165
  873    HA   GLU 110           HA       GLU 110  25.898  -2.714  18.771
  874    HB2  GLU 110           2HB      GLU 110  23.453  -3.032  20.573
  875    HB3  GLU 110           3HB      GLU 110  24.937  -3.974  20.726
  876    HG2  GLU 110           2HG      GLU 110  26.230  -1.855  21.048
  877    HG3  GLU 110           3HG      GLU 110  24.706  -0.964  21.078
  878    H    VAL 111           H        VAL 111  25.743  -5.220  19.070
  879    HA   VAL 111           HA       VAL 111  24.633  -6.295  16.622
  880    HB   VAL 111           HB       VAL 111  25.684  -8.410  17.294
  881   HG11  VAL 111          1HG1      VAL 111  27.000  -6.664  16.144
  882   HG12  VAL 111          2HG1      VAL 111  27.532  -6.029  17.717
  883   HG13  VAL 111          3HG1      VAL 111  27.988  -7.669  17.217
  884   HG21  VAL 111          3HG2      VAL 111  26.541  -6.975  19.850
  885   HG22  VAL 111          1HG2      VAL 111  25.345  -8.287  19.757
  886   HG23  VAL 111          2HG2      VAL 111  27.031  -8.594  19.319
  887    H    ASP 112           H        ASP 112  22.988  -5.698  19.347
  888    HA   ASP 112           HA       ASP 112  21.445  -8.128  19.740
  889    HB2  ASP 112           2HB      ASP 112  21.868  -6.502  21.532
  890    HB3  ASP 112           3HB      ASP 112  20.968  -5.271  20.654
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   5.873  25.737  12.391
    2    H2   GLY   1           H2       GLY   1   4.430  25.025  12.707
    3    H3   GLY   1           H3       GLY   1   4.947  25.177  11.161
    4    HA2  GLY   1           2HA      GLY   1   6.779  23.673  11.549
    5    HA3  GLY   1           3HA      GLY   1   6.240  23.521  13.231
    6    H    SER   2           H        SER   2   6.545  21.411  11.229
    7    HA   SER   2           HA       SER   2   4.048  20.558  10.157
    8    HB2  SER   2           2HB      SER   2   6.471  18.888  10.919
    9    HB3  SER   2           3HB      SER   2   5.161  18.404   9.824
   10    HG   SER   2           HG       SER   2   6.990  19.218   8.687
   11    H    LYS   3           H        LYS   3   2.665  18.861  10.743
   12    HA   LYS   3           HA       LYS   3   2.509  18.176  13.658
   13    HB2  LYS   3           2HB      LYS   3   0.225  18.686  11.710
   14    HB3  LYS   3           3HB      LYS   3   0.041  18.198  13.385
   15    HG2  LYS   3           2HG      LYS   3   1.210  20.837  12.391
   16    HG3  LYS   3           3HG      LYS   3  -0.395  20.598  13.055
   17    HD2  LYS   3           2HD      LYS   3   2.212  20.256  14.601
   18    HD3  LYS   3           3HD      LYS   3   1.133  21.650  14.662
   19    HE2  LYS   3           2HE      LYS   3  -0.708  20.190  15.500
   20    HE3  LYS   3           3HE      LYS   3   0.395  18.809  15.499
   21    HZ1  LYS   3           3HZ      LYS   3   0.749  21.272  17.124
   22    HZ2  LYS   3           1HZ      LYS   3   0.261  19.826  17.697
   23    HZ3  LYS   3           2HZ      LYS   3   1.778  20.002  17.122
   24    H    ALA   4           H        ALA   4   1.724  16.215  14.237
   25    HA   ALA   4           HA       ALA   4   1.648  13.999  14.320
   26    HB1  ALA   4           1HB      ALA   4   0.519  14.089  11.507
   27    HB2  ALA   4           2HB      ALA   4   0.344  12.782  12.692
   28    HB3  ALA   4           3HB      ALA   4  -0.402  14.358  13.005
   29    H    GLU   5           H        GLU   5   2.446  11.934  13.677
   30    HA   GLU   5           HA       GLU   5   4.950  11.987  12.032
   31    HB2  GLU   5           2HB      GLU   5   6.090  10.809  13.754
   32    HB3  GLU   5           3HB      GLU   5   5.381  12.246  14.469
   33    HG2  GLU   5           2HG      GLU   5   4.222   9.424  14.703
   34    HG3  GLU   5           3HG      GLU   5   5.265  10.186  15.887
   35    H    LYS   6           H        LYS   6   1.981  10.436  12.397
   36    HA   LYS   6           HA       LYS   6   2.883   7.714  11.986
   37    HB2  LYS   6           2HB      LYS   6   0.880   8.367  13.349
   38    HB3  LYS   6           3HB      LYS   6   0.064   8.852  11.870
   39    HG2  LYS   6           2HG      LYS   6  -0.722   6.660  12.459
   40    HG3  LYS   6           3HG      LYS   6   0.247   6.512  11.003
   41    HD2  LYS   6           2HD      LYS   6   0.791   4.660  12.417
   42    HD3  LYS   6           3HD      LYS   6   2.189   5.730  12.446
   43    HE2  LYS   6           2HE      LYS   6   1.166   6.734  14.615
   44    HE3  LYS   6           3HE      LYS   6   0.026   5.381  14.564
   45    HZ1  LYS   6           3HZ      LYS   6   2.964   5.289  14.907
   46    HZ2  LYS   6           1HZ      LYS   6   1.843   4.698  15.909
   47    HZ3  LYS   6           2HZ      LYS   6   2.123   3.940  14.478
   48    H    THR   7           H        THR   7   1.016   9.946   9.916
   49    HA   THR   7           HA       THR   7   1.881   8.449   7.483
   50    HB   THR   7           HB       THR   7  -0.881   9.614   7.889
   51    HG1  THR   7           1HG      THR   7   0.055   6.986   8.341
   52   HG21  THR   7          1HG2      THR   7   0.114   8.924   5.485
   53   HG22  THR   7          2HG2      THR   7  -0.316   7.330   6.012
   54   HG23  THR   7          3HG2      THR   7  -1.540   8.623   5.928
   55    H    LEU   8           H        LEU   8   2.162   9.677   5.576
   56    HA   LEU   8           HA       LEU   8   2.412  12.571   5.840
   57    HB2  LEU   8           2HB      LEU   8   3.357  12.618   3.795
   58    HB3  LEU   8           3HB      LEU   8   3.759  10.986   4.286
   59    HG   LEU   8           HG       LEU   8   1.519  11.812   2.359
   60   HD11  LEU   8          1HD1      LEU   8   4.129  10.365   1.825
   61   HD12  LEU   8          2HD1      LEU   8   2.890  10.805   0.635
   62   HD13  LEU   8          3HD1      LEU   8   3.810  12.075   1.460
   63   HD21  LEU   8          3HD2      LEU   8   2.474   9.055   3.205
   64   HD22  LEU   8          1HD2      LEU   8   0.871   9.724   3.496
   65   HD23  LEU   8          2HD2      LEU   8   1.376   9.379   1.845
   66    H    GLY   9           H        GLY   9  -0.324  10.628   5.252
   67    HA2  GLY   9           2HA      GLY   9  -2.532  11.342   5.138
   68    HA3  GLY   9           3HA      GLY   9  -2.016  12.961   4.691
   69    H    ASP  10           H        ASP  10  -0.936  10.091   2.790
   70    HA   ASP  10           HA       ASP  10  -3.015  10.659   0.776
   71    HB2  ASP  10           2HB      ASP  10  -0.588  11.893   0.485
   72    HB3  ASP  10           3HB      ASP  10  -0.304  10.381  -0.391
   73    H    PHE  11           H        PHE  11  -1.075   8.229   2.288
   74    HA   PHE  11           HA       PHE  11  -2.452   6.247   0.631
   75    HB2  PHE  11           2HB      PHE  11  -0.219   4.953   0.393
   76    HB3  PHE  11           3HB      PHE  11  -0.701   6.170  -0.737
   77    HD1  PHE  11           HD2      PHE  11   1.396   6.049   2.443
   78    HD2  PHE  11           HD1      PHE  11   0.906   7.555  -1.573
   79    HE1  PHE  11           HE2      PHE  11   3.700   6.943   2.491
   80    HE2  PHE  11           HE1      PHE  11   3.183   8.529  -1.477
   81    HZ   PHE  11           HZ       PHE  11   4.591   8.200   0.547
   82    H    ALA  12           H        ALA  12  -2.427   4.104   1.408
   83    HA   ALA  12           HA       ALA  12  -2.331   3.912   4.382
   84    HB1  ALA  12           1HB      ALA  12  -4.708   3.264   2.595
   85    HB2  ALA  12           2HB      ALA  12  -4.647   3.136   4.360
   86    HB3  ALA  12           3HB      ALA  12  -4.556   4.730   3.576
   87    H    ALA  13           H        ALA  13  -2.527   1.770   5.238
   88    HA   ALA  13           HA       ALA  13  -2.007  -0.501   3.372
   89    HB1  ALA  13           1HB      ALA  13  -0.470   0.148   5.925
   90    HB2  ALA  13           2HB      ALA  13  -0.178  -1.216   4.809
   91    HB3  ALA  13           3HB      ALA  13   0.099   0.455   4.270
   92    H    GLU  14           H        GLU  14  -2.761  -2.532   4.036
   93    HA   GLU  14           HA       GLU  14  -4.186  -2.974   6.546
   94    HB2  GLU  14           2HB      GLU  14  -5.650  -1.575   4.805
   95    HB3  GLU  14           3HB      GLU  14  -5.761  -3.108   3.948
   96    HG2  GLU  14           2HG      GLU  14  -6.760  -4.121   6.043
   97    HG3  GLU  14           3HG      GLU  14  -6.595  -2.558   6.835
   98    H    TYR  15           H        TYR  15  -5.341  -5.272   6.225
   99    HA   TYR  15           HA       TYR  15  -3.891  -6.972   4.227
  100    HB2  TYR  15           2HB      TYR  15  -5.512  -7.848   6.621
  101    HB3  TYR  15           3HB      TYR  15  -4.786  -8.904   5.414
  102    HD1  TYR  15           HD2      TYR  15  -4.100  -6.595   8.214
  103    HD2  TYR  15           HD1      TYR  15  -2.348  -9.281   5.337
  104    HE1  TYR  15           HE2      TYR  15  -2.027  -6.731   9.588
  105    HE2  TYR  15           HE1      TYR  15  -0.215  -9.304   6.665
  106    HH   TYR  15           HH       TYR  15   0.875  -8.508   8.466
  107    H    ALA  16           H        ALA  16  -5.047  -8.109   2.728
  108    HA   ALA  16           HA       ALA  16  -7.356  -6.852   1.670
  109    HB1  ALA  16           1HB      ALA  16  -6.065  -9.517   1.127
  110    HB2  ALA  16           2HB      ALA  16  -7.260  -8.731   0.062
  111    HB3  ALA  16           3HB      ALA  16  -5.671  -7.974   0.346
  112    H    LYS  17           H        LYS  17  -9.263  -6.859   2.778
  113    HA   LYS  17           HA       LYS  17 -10.161  -8.958   4.507
  114    HB2  LYS  17           2HB      LYS  17 -10.665  -6.511   4.685
  115    HB3  LYS  17           3HB      LYS  17 -11.742  -6.651   3.288
  116    HG2  LYS  17           2HG      LYS  17 -13.192  -8.207   4.546
  117    HG3  LYS  17           3HG      LYS  17 -12.057  -8.180   5.912
  118    HD2  LYS  17           2HD      LYS  17 -12.487  -5.744   6.212
  119    HD3  LYS  17           3HD      LYS  17 -13.555  -5.762   4.805
  120    HE2  LYS  17           2HE      LYS  17 -14.953  -5.802   6.733
  121    HE3  LYS  17           3HE      LYS  17 -15.052  -7.390   5.971
  122    HZ1  LYS  17           3HZ      LYS  17 -14.797  -7.544   8.390
  123    HZ2  LYS  17           1HZ      LYS  17 -13.503  -8.220   7.668
  124    HZ3  LYS  17           2HZ      LYS  17 -13.383  -6.736   8.348
  125    H    SER  18           H        SER  18 -10.733  -8.409   1.100
  126    HA   SER  18           HA       SER  18 -12.061 -11.039   0.876
  127    HB2  SER  18           2HB      SER  18 -13.822 -10.206  -0.542
  128    HB3  SER  18           3HB      SER  18 -13.867  -9.311   0.986
  129    HG   SER  18           HG       SER  18 -14.025  -7.829  -0.674
  130    H    ASN  19           H        ASN  19 -11.993 -11.905  -1.304
  131    HA   ASN  19           HA       ASN  19  -9.547 -11.193  -2.743
  132    HB2  ASN  19           2HB      ASN  19 -10.755 -13.567  -2.216
  133    HB3  ASN  19           3HB      ASN  19 -11.451 -13.262  -3.799
  134   HD21  ASN  19          2HD2      ASN  19  -8.861 -14.718  -2.234
  135   HD22  ASN  19          1HD2      ASN  19  -7.690 -14.638  -3.559
  136    H    ARG  20           H        ARG  20 -12.151  -9.458  -2.703
  137    HA   ARG  20           HA       ARG  20 -12.743  -9.210  -5.612
  138    HB2  ARG  20           2HB      ARG  20 -14.121  -7.991  -3.184
  139    HB3  ARG  20           3HB      ARG  20 -14.677  -7.883  -4.850
  140    HG2  ARG  20           2HG      ARG  20 -14.519 -10.428  -3.176
  141    HG3  ARG  20           3HG      ARG  20 -15.970  -9.527  -3.606
  142    HD2  ARG  20           2HD      ARG  20 -15.487  -9.996  -6.042
  143    HD3  ARG  20           3HD      ARG  20 -14.118 -10.986  -5.538
  144    HE   ARG  20           HE       ARG  20 -15.539 -12.671  -4.806
  145   HH11  ARG  20          1HH2      ARG  20 -17.548  -9.923  -5.657
  146   HH12  ARG  20          2HH2      ARG  20 -19.012 -10.868  -5.599
  147   HH21  ARG  20          1HH1      ARG  20 -17.440 -13.804  -4.749
  148   HH22  ARG  20          2HH1      ARG  20 -18.944 -13.003  -5.098
  149    H    SER  21           H        SER  21 -10.821  -7.617  -3.277
  150    HA   SER  21           HA       SER  21 -10.765  -4.992  -4.557
  151    HB2  SER  21           2HB      SER  21 -10.034  -5.397  -2.213
  152    HB3  SER  21           3HB      SER  21  -8.658  -6.334  -2.815
  153    HG   SER  21           HG       SER  21  -9.222  -3.591  -3.413
  154    H    THR  22           H        THR  22  -8.978  -4.196  -5.932
  155    HA   THR  22           HA       THR  22  -7.551  -6.279  -7.507
  156    HB   THR  22           HB       THR  22  -9.221  -4.096  -8.756
  157    HG1  THR  22           1HG      THR  22 -10.545  -5.745  -7.986
  158   HG21  THR  22          1HG2      THR  22  -8.806  -5.226 -10.888
  159   HG22  THR  22          2HG2      THR  22  -7.278  -4.719 -10.165
  160   HG23  THR  22          3HG2      THR  22  -7.786  -6.424 -10.078
  161    H    CYS  23           HN       CYS  23  -5.594  -5.691  -8.163
  162    HA   CYS  23           HA       CYS  23  -4.462  -3.270  -7.045
  163    HB2  CYS  23           2HB      CYS  23  -3.256  -5.298  -6.839
  164    HB3  CYS  23           3HB      CYS  23  -3.519  -5.698  -8.536
  165    H    LYS  24           H        LYS  24  -4.641  -1.413  -8.062
  166    HA   LYS  24           HA       LYS  24  -4.990  -1.123 -10.957
  167    HB2  LYS  24           2HB      LYS  24  -4.670   0.742  -8.599
  168    HB3  LYS  24           3HB      LYS  24  -4.504   1.366 -10.241
  169    HG2  LYS  24           2HG      LYS  24  -6.770   1.677  -9.557
  170    HG3  LYS  24           3HG      LYS  24  -6.714   0.506 -10.861
  171    HD2  LYS  24           2HD      LYS  24  -7.155  -1.332  -9.313
  172    HD3  LYS  24           3HD      LYS  24  -6.918  -0.267  -7.921
  173    HE2  LYS  24           2HE      LYS  24  -9.266  -0.651  -8.181
  174    HE3  LYS  24           3HE      LYS  24  -8.934   1.035  -8.577
  175    HZ1  LYS  24           3HZ      LYS  24  -9.072   0.434 -10.944
  176    HZ2  LYS  24           1HZ      LYS  24  -9.354  -1.138 -10.570
  177    HZ3  LYS  24           2HZ      LYS  24 -10.445   0.005 -10.181
  178    H    GLY  25           H        GLY  25  -2.253  -1.706  -9.053
  179    HA2  GLY  25           2HA      GLY  25  -0.273  -0.287 -10.646
  180    HA3  GLY  25           3HA      GLY  25   0.025  -1.568  -9.470
  181    H    CYS  26           HN       CYS  26  -1.625  -3.557 -10.773
  182    HA   CYS  26           HA       CYS  26  -0.314  -3.913 -13.418
  183    HB2  CYS  26           2HB      CYS  26   0.311  -6.164 -13.018
  184    HB3  CYS  26           3HB      CYS  26   1.006  -5.154 -11.746
  185    H    MET  27           H        MET  27  -3.261  -3.940 -11.864
  186    HA   MET  27           HA       MET  27  -5.321  -4.444 -12.394
  187    HB2  MET  27           2HB      MET  27  -4.613  -3.243 -14.510
  188    HB3  MET  27           3HB      MET  27  -4.551  -4.816 -15.292
  189    HG2  MET  27           2HG      MET  27  -6.678  -3.566 -15.634
  190    HG3  MET  27           3HG      MET  27  -6.905  -5.168 -14.952
  191    HE1  MET  27           3HE      MET  27  -7.178  -1.386 -12.263
  192    HE2  MET  27           1HE      MET  27  -5.652  -2.171 -12.711
  193    HE3  MET  27           2HE      MET  27  -6.605  -1.311 -13.945
  194    H    GLU  28           H        GLU  28  -4.455  -6.336 -11.025
  195    HA   GLU  28           HA       GLU  28  -6.233  -8.422 -11.942
  196    HB2  GLU  28           2HB      GLU  28  -4.972 -10.326 -11.772
  197    HB3  GLU  28           3HB      GLU  28  -3.980  -9.253 -12.752
  198    HG2  GLU  28           2HG      GLU  28  -2.569  -8.780 -10.760
  199    HG3  GLU  28           3HG      GLU  28  -3.583  -9.846  -9.789
  200    H    LYS  29           H        LYS  29  -6.714  -9.988 -10.129
  201    HA   LYS  29           HA       LYS  29  -7.681  -8.247  -8.090
  202    HB2  LYS  29           2HB      LYS  29  -8.833 -10.205  -7.203
  203    HB3  LYS  29           3HB      LYS  29  -9.053 -10.038  -8.947
  204    HG2  LYS  29           2HG      LYS  29  -7.293 -11.784  -9.320
  205    HG3  LYS  29           3HG      LYS  29  -7.143 -11.968  -7.558
  206    HD2  LYS  29           2HD      LYS  29  -9.625 -12.532  -7.492
  207    HD3  LYS  29           3HD      LYS  29  -9.615 -12.501  -9.256
  208    HE2  LYS  29           2HE      LYS  29  -9.441 -14.781  -8.570
  209    HE3  LYS  29           3HE      LYS  29  -7.878 -14.320  -9.253
  210    HZ1  LYS  29           3HZ      LYS  29  -7.810 -15.579  -7.073
  211    HZ2  LYS  29           1HZ      LYS  29  -6.957 -14.193  -7.044
  212    HZ3  LYS  29           2HZ      LYS  29  -8.416 -14.240  -6.334
  213    H    ILE  30           H        ILE  30  -7.250  -8.008  -6.022
  214    HA   ILE  30           HA       ILE  30  -4.652  -8.924  -5.015
  215    HB   ILE  30           HB       ILE  30  -6.772  -7.009  -4.025
  216   HG12  ILE  30          2HG1      ILE  30  -3.817  -6.563  -4.654
  217   HG13  ILE  30          3HG1      ILE  30  -5.057  -6.475  -5.893
  218   HG21  ILE  30          1HG2      ILE  30  -5.831  -8.163  -2.024
  219   HG22  ILE  30          2HG2      ILE  30  -4.195  -7.697  -2.553
  220   HG23  ILE  30          3HG2      ILE  30  -5.398  -6.463  -2.106
  221   HD11  ILE  30          3HD1      ILE  30  -4.914  -4.678  -3.446
  222   HD12  ILE  30          1HD1      ILE  30  -4.511  -4.266  -5.119
  223   HD13  ILE  30          2HD1      ILE  30  -6.186  -4.650  -4.700
  224    H    GLU  31           H        GLU  31  -4.334 -10.653  -3.765
  225    HA   GLU  31           HA       GLU  31  -6.514 -12.486  -3.305
  226    HB2  GLU  31           2HB      GLU  31  -3.607 -12.581  -2.402
  227    HB3  GLU  31           3HB      GLU  31  -4.755 -13.908  -2.257
  228    HG2  GLU  31           2HG      GLU  31  -3.702 -12.663  -4.823
  229    HG3  GLU  31           3HG      GLU  31  -3.281 -14.235  -4.156
  230    H    LYS  32           H        LYS  32  -7.556 -13.001  -1.511
  231    HA   LYS  32           HA       LYS  32  -7.751 -11.239   0.728
  232    HB2  LYS  32           2HB      LYS  32  -9.530 -12.815  -0.062
  233    HB3  LYS  32           3HB      LYS  32  -8.585 -14.166   0.579
  234    HG2  LYS  32           2HG      LYS  32  -8.758 -13.176   2.869
  235    HG3  LYS  32           3HG      LYS  32  -9.703 -11.829   2.200
  236    HD2  LYS  32           2HD      LYS  32 -11.454 -13.408   1.493
  237    HD3  LYS  32           3HD      LYS  32 -10.478 -14.769   2.099
  238    HE2  LYS  32           2HE      LYS  32 -10.566 -13.815   4.388
  239    HE3  LYS  32           3HE      LYS  32 -11.534 -12.461   3.797
  240    HZ1  LYS  32           3HZ      LYS  32 -12.377 -15.312   3.725
  241    HZ2  LYS  32           1HZ      LYS  32 -12.931 -14.191   4.771
  242    HZ3  LYS  32           2HZ      LYS  32 -13.275 -14.057   3.183
  243    H    GLY  33           H        GLY  33  -7.005 -11.320   2.797
  244    HA2  GLY  33           2HA      GLY  33  -5.792 -11.923   4.646
  245    HA3  GLY  33           3HA      GLY  33  -5.581 -13.524   3.941
  246    H    GLN  34           H        GLN  34  -4.223 -11.111   1.860
  247    HA   GLN  34           HA       GLN  34  -1.632 -11.124   3.310
  248    HB2  GLN  34           2HB      GLN  34  -0.398 -11.136   1.239
  249    HB3  GLN  34           3HB      GLN  34  -1.323 -12.602   1.484
  250    HG2  GLN  34           2HG      GLN  34  -1.433 -12.094  -0.843
  251    HG3  GLN  34           3HG      GLN  34  -3.024 -11.789  -0.177
  252   HE21  GLN  34          2HE2      GLN  34  -3.881  -9.693  -0.518
  253   HE22  GLN  34          1HE2      GLN  34  -2.851  -8.287  -0.536
  254    H    VAL  35           H        VAL  35  -0.286  -9.139   2.682
  255    HA   VAL  35           HA       VAL  35  -1.817  -6.890   3.544
  256    HB   VAL  35           HB       VAL  35   0.991  -7.061   2.419
  257   HG11  VAL  35          1HG1      VAL  35   0.276  -4.732   2.141
  258   HG12  VAL  35          2HG1      VAL  35  -0.358  -4.701   3.806
  259   HG13  VAL  35          3HG1      VAL  35   1.381  -4.862   3.505
  260   HG21  VAL  35          3HG2      VAL  35   0.628  -8.240   4.576
  261   HG22  VAL  35          1HG2      VAL  35   1.650  -6.819   4.780
  262   HG23  VAL  35          2HG2      VAL  35  -0.051  -6.752   5.273
  263    H    ARG  36           H        ARG  36  -2.536  -5.027   2.524
  264    HA   ARG  36           HA       ARG  36  -2.037  -4.673  -0.363
  265    HB2  ARG  36           2HB      ARG  36  -4.299  -4.159  -0.939
  266    HB3  ARG  36           3HB      ARG  36  -4.196  -5.809  -0.320
  267    HG2  ARG  36           2HG      ARG  36  -5.224  -5.175   1.784
  268    HG3  ARG  36           3HG      ARG  36  -5.130  -3.461   1.379
  269    HD2  ARG  36           2HD      ARG  36  -6.608  -3.870  -0.599
  270    HD3  ARG  36           3HD      ARG  36  -6.830  -5.535  -0.054
  271    HE   ARG  36           HE       ARG  36  -7.513  -4.038   2.180
  272   HH11  ARG  36          1HH2      ARG  36  -8.651  -3.779  -1.146
  273   HH12  ARG  36          2HH2      ARG  36 -10.162  -3.088  -0.625
  274   HH21  ARG  36          1HH1      ARG  36  -9.371  -3.147   2.719
  275   HH22  ARG  36          2HH1      ARG  36 -10.598  -2.779   1.516
  276    H    LEU  37           H        LEU  37  -1.932  -2.584  -1.030
  277    HA   LEU  37           HA       LEU  37  -2.035  -0.493   1.094
  278    HB2  LEU  37           2HB      LEU  37  -0.214  -0.464  -1.328
  279    HB3  LEU  37           3HB      LEU  37  -0.247   0.623   0.095
  280    HG   LEU  37           HG       LEU  37   1.679  -0.566   0.294
  281   HD11  LEU  37          1HD1      LEU  37   0.319  -0.337   2.311
  282   HD12  LEU  37          2HD1      LEU  37  -0.195  -2.029   2.163
  283   HD13  LEU  37          3HD1      LEU  37   1.521  -1.642   2.398
  284   HD21  LEU  37          3HD2      LEU  37   0.274  -3.267   0.105
  285   HD22  LEU  37          1HD2      LEU  37   1.138  -2.491  -1.238
  286   HD23  LEU  37          2HD2      LEU  37   2.000  -2.933   0.252
  287    H    SER  38           H        SER  38  -2.703   1.609   0.445
  288    HA   SER  38           HA       SER  38  -4.132   1.784  -2.146
  289    HB2  SER  38           2HB      SER  38  -5.874   1.467  -0.529
  290    HB3  SER  38           3HB      SER  38  -5.154   2.667   0.554
  291    HG   SER  38           HG       SER  38  -6.730   3.748  -0.463
  292    H    LYS  39           H        LYS  39  -4.074   3.790  -3.160
  293    HA   LYS  39           HA       LYS  39  -2.789   6.078  -1.701
  294    HB2  LYS  39           2HB      LYS  39  -1.457   5.658  -3.636
  295    HB3  LYS  39           3HB      LYS  39  -2.878   5.596  -4.692
  296    HG2  LYS  39           2HG      LYS  39  -3.296   7.934  -4.478
  297    HG3  LYS  39           3HG      LYS  39  -2.159   8.106  -3.118
  298    HD2  LYS  39           2HD      LYS  39  -0.263   7.674  -4.545
  299    HD3  LYS  39           3HD      LYS  39  -1.328   7.232  -5.899
  300    HE2  LYS  39           2HE      LYS  39  -0.744   9.330  -6.546
  301    HE3  LYS  39           3HE      LYS  39  -2.245   9.672  -5.685
  302    HZ1  LYS  39           3HZ      LYS  39  -0.928  10.389  -3.774
  303    HZ2  LYS  39           1HZ      LYS  39   0.479   9.910  -4.506
  304    HZ3  LYS  39           2HZ      LYS  39  -0.385  11.171  -5.087
  305    H    LYS  40           H        LYS  40  -4.062   7.650  -1.133
  306    HA   LYS  40           HA       LYS  40  -6.894   7.688  -2.016
  307    HB2  LYS  40           2HB      LYS  40  -6.722   7.638   0.284
  308    HB3  LYS  40           3HB      LYS  40  -5.438   8.813   0.358
  309    HG2  LYS  40           2HG      LYS  40  -8.275   9.483  -0.616
  310    HG3  LYS  40           3HG      LYS  40  -7.827   9.493   1.083
  311    HD2  LYS  40           2HD      LYS  40  -6.896  11.401  -1.070
  312    HD3  LYS  40           3HD      LYS  40  -7.756  11.739   0.430
  313    HE2  LYS  40           2HE      LYS  40  -5.783  11.148   1.757
  314    HE3  LYS  40           3HE      LYS  40  -4.917  10.677   0.279
  315    HZ1  LYS  40           3HZ      LYS  40  -5.838  13.450   0.586
  316    HZ2  LYS  40           1HZ      LYS  40  -4.421  12.919   1.233
  317    HZ3  LYS  40           2HZ      LYS  40  -4.612  12.818  -0.361
  318    H    MET  41           H        MET  41  -7.390   8.910  -3.723
  319    HA   MET  41           HA       MET  41  -6.350  11.624  -4.005
  320    HB2  MET  41           2HB      MET  41  -5.309  11.321  -6.204
  321    HB3  MET  41           3HB      MET  41  -4.453  10.415  -4.960
  322    HG2  MET  41           2HG      MET  41  -5.564   8.330  -5.688
  323    HG3  MET  41           3HG      MET  41  -6.467   9.230  -6.912
  324    HE1  MET  41           3HE      MET  41  -4.883   6.648  -7.532
  325    HE2  MET  41           1HE      MET  41  -5.817   7.599  -8.721
  326    HE3  MET  41           2HE      MET  41  -4.147   7.090  -9.091
  327    H    VAL  42           H        VAL  42  -7.679  12.944  -5.367
  328    HA   VAL  42           HA       VAL  42 -10.118  12.140  -6.385
  329    HB   VAL  42           HB       VAL  42  -8.294  14.265  -7.568
  330   HG11  VAL  42          1HG1      VAL  42 -10.167  13.796  -9.078
  331   HG12  VAL  42          2HG1      VAL  42 -11.321  13.904  -7.726
  332   HG13  VAL  42          3HG1      VAL  42 -10.431  15.341  -8.276
  333   HG21  VAL  42          3HG2      VAL  42  -8.662  14.697  -5.176
  334   HG22  VAL  42          1HG2      VAL  42  -9.579  15.842  -6.144
  335   HG23  VAL  42          2HG2      VAL  42 -10.414  14.475  -5.385
  336    H    ASP  43           H        ASP  43 -10.841  11.006  -8.123
  337    HA   ASP  43           HA       ASP  43  -8.997   9.540  -9.803
  338    HB2  ASP  43           2HB      ASP  43 -11.152   8.627  -9.045
  339    HB3  ASP  43           3HB      ASP  43 -12.019   9.869  -9.941
  340    HA   PRO  44           HA       PRO  44  -8.569  12.813 -12.755
  341    HB2  PRO  44           2HB      PRO  44  -7.079  11.572 -14.704
  342    HB3  PRO  44           3HB      PRO  44  -6.442  11.936 -13.070
  343    HG2  PRO  44           2HG      PRO  44  -7.653   9.319 -14.043
  344    HG3  PRO  44           3HG      PRO  44  -6.087   9.563 -13.195
  345    HD2  PRO  44           2HD      PRO  44  -8.320   8.838 -11.866
  346    HD3  PRO  44           3HD      PRO  44  -7.161  10.001 -11.152
  347    H    GLU  45           H        GLU  45 -10.442  10.005 -13.559
  348    HA   GLU  45           HA       GLU  45 -11.455  11.265 -16.092
  349    HB2  GLU  45           2HB      GLU  45 -11.795   8.438 -15.021
  350    HB3  GLU  45           3HB      GLU  45 -12.479   9.072 -16.519
  351    HG2  GLU  45           2HG      GLU  45 -10.159   9.539 -17.349
  352    HG3  GLU  45           3HG      GLU  45  -9.511   8.761 -15.902
  353    H    LYS  46           H        LYS  46 -12.131  10.914 -12.809
  354    HA   LYS  46           HA       LYS  46 -15.000  11.695 -13.063
  355    HB2  LYS  46           2HB      LYS  46 -13.923   9.439 -11.339
  356    HB3  LYS  46           3HB      LYS  46 -15.572  10.065 -11.286
  357    HG2  LYS  46           2HG      LYS  46 -16.035   9.309 -13.529
  358    HG3  LYS  46           3HG      LYS  46 -14.377   8.738 -13.750
  359    HD2  LYS  46           2HD      LYS  46 -16.282   7.772 -11.587
  360    HD3  LYS  46           3HD      LYS  46 -16.015   6.931 -13.125
  361    HE2  LYS  46           2HE      LYS  46 -14.037   7.340 -10.847
  362    HE3  LYS  46           3HE      LYS  46 -14.726   5.819 -11.410
  363    HZ1  LYS  46           3HZ      LYS  46 -12.467   6.106 -12.206
  364    HZ2  LYS  46           1HZ      LYS  46 -13.465   6.156 -13.515
  365    HZ3  LYS  46           2HZ      LYS  46 -12.776   7.524 -12.877
  366    HA   PRO  47           HA       PRO  47 -12.419  13.985  -9.825
  367    HB2  PRO  47           2HB      PRO  47 -12.771  16.561 -10.752
  368    HB3  PRO  47           3HB      PRO  47 -11.436  15.473 -11.252
  369    HG2  PRO  47           2HG      PRO  47 -14.072  15.951 -12.684
  370    HG3  PRO  47           3HG      PRO  47 -12.409  15.972 -13.371
  371    HD2  PRO  47           2HD      PRO  47 -13.966  13.787 -13.579
  372    HD3  PRO  47           3HD      PRO  47 -12.215  13.636 -13.234
  373    H    GLN  48           H        GLN  48 -15.646  14.132 -11.100
  374    HA   GLN  48           HA       GLN  48 -16.915  15.757  -9.104
  375    HB2  GLN  48           2HB      GLN  48 -17.978  13.527 -10.889
  376    HB3  GLN  48           3HB      GLN  48 -18.980  14.591  -9.893
  377    HG2  GLN  48           2HG      GLN  48 -18.116  16.573 -11.129
  378    HG3  GLN  48           3HG      GLN  48 -17.159  15.510 -12.167
  379   HE21  GLN  48          2HE2      GLN  48 -20.535  16.380 -11.265
  380   HE22  GLN  48          1HE2      GLN  48 -21.228  15.746 -12.752
  381    H    LEU  49           H        LEU  49 -15.797  12.343  -8.965
  382    HA   LEU  49           HA       LEU  49 -17.276  11.602  -6.597
  383    HB2  LEU  49           2HB      LEU  49 -14.507  10.880  -7.666
  384    HB3  LEU  49           3HB      LEU  49 -15.254  10.072  -6.301
  385    HG   LEU  49           HG       LEU  49 -16.430  10.065  -9.111
  386   HD11  LEU  49          1HD1      LEU  49 -15.549   7.745  -9.139
  387   HD12  LEU  49          2HD1      LEU  49 -14.239   8.944  -8.948
  388   HD13  LEU  49          3HD1      LEU  49 -14.808   8.025  -7.544
  389   HD21  LEU  49          3HD2      LEU  49 -18.133   9.711  -7.384
  390   HD22  LEU  49          1HD2      LEU  49 -17.763   8.166  -8.166
  391   HD23  LEU  49          2HD2      LEU  49 -17.089   8.533  -6.555
  392    H    GLY  50           H        GLY  50 -14.461  13.681  -7.063
  393    HA2  GLY  50           2HA      GLY  50 -12.867  14.510  -5.594
  394    HA3  GLY  50           3HA      GLY  50 -13.831  13.969  -4.216
  395    H    MET  51           H        MET  51 -12.239  12.892  -3.184
  396    HA   MET  51           HA       MET  51 -10.218  11.349  -4.395
  397    HB2  MET  51           2HB      MET  51 -10.689  11.422  -1.424
  398    HB3  MET  51           3HB      MET  51  -9.179  11.343  -2.333
  399    HG2  MET  51           2HG      MET  51  -9.926  13.744  -3.196
  400    HG3  MET  51           3HG      MET  51 -10.991  13.706  -1.795
  401    HE1  MET  51           3HE      MET  51  -7.463  12.938  -2.949
  402    HE2  MET  51           1HE      MET  51  -7.572  14.697  -3.152
  403    HE3  MET  51           2HE      MET  51  -6.428  14.019  -1.974
  404    H    ILE  52           H        ILE  52  -9.909   9.227  -4.574
  405    HA   ILE  52           HA       ILE  52 -11.724   7.329  -3.194
  406    HB   ILE  52           HB       ILE  52 -11.447   5.833  -5.233
  407   HG12  ILE  52          2HG1      ILE  52 -11.196   6.900  -7.421
  408   HG13  ILE  52          3HG1      ILE  52 -10.721   8.425  -6.675
  409   HG21  ILE  52          1HG2      ILE  52 -13.044   8.382  -5.634
  410   HG22  ILE  52          2HG2      ILE  52 -13.339   6.774  -6.342
  411   HG23  ILE  52          3HG2      ILE  52 -13.513   7.006  -4.598
  412   HD11  ILE  52          3HD1      ILE  52  -9.191   5.814  -6.339
  413   HD12  ILE  52          1HD1      ILE  52  -8.831   7.033  -7.594
  414   HD13  ILE  52          2HD1      ILE  52  -8.630   7.437  -5.895
  415    H    ASP  53           H        ASP  53 -10.840   5.081  -3.184
  416    HA   ASP  53           HA       ASP  53  -8.009   5.123  -2.257
  417    HB2  ASP  53           2HB      ASP  53 -10.446   3.509  -1.470
  418    HB3  ASP  53           3HB      ASP  53  -8.835   2.838  -1.259
  419    H    ARG  54           H        ARG  54  -6.879   4.775  -3.990
  420    HA   ARG  54           HA       ARG  54  -7.461   2.671  -5.988
  421    HB2  ARG  54           2HB      ARG  54  -6.151   5.123  -6.110
  422    HB3  ARG  54           3HB      ARG  54  -4.789   4.033  -5.991
  423    HG2  ARG  54           2HG      ARG  54  -5.260   4.474  -8.296
  424    HG3  ARG  54           3HG      ARG  54  -5.615   2.775  -7.965
  425    HD2  ARG  54           2HD      ARG  54  -7.955   3.117  -8.133
  426    HD3  ARG  54           3HD      ARG  54  -7.813   4.802  -7.631
  427    HE   ARG  54           HE       ARG  54  -6.609   4.427 -10.224
  428   HH11  ARG  54          1HH2      ARG  54  -9.774   4.762  -8.697
  429   HH12  ARG  54          2HH2      ARG  54 -10.322   5.825  -9.993
  430   HH21  ARG  54          1HH1      ARG  54  -7.575   5.690 -11.895
  431   HH22  ARG  54          2HH1      ARG  54  -9.230   6.242 -11.631
  432    H    TRP  55           H        TRP  55  -7.176   0.595  -5.273
  433    HA   TRP  55           HA       TRP  55  -5.086  -0.005  -3.329
  434    HB2  TRP  55           2HB      TRP  55  -7.171  -1.774  -4.612
  435    HB3  TRP  55           3HB      TRP  55  -6.009  -2.308  -3.404
  436    HD1  TRP  55           HD1      TRP  55  -9.295  -0.557  -3.726
  437    HE1  TRP  55           HE1      TRP  55 -10.175   0.211  -1.444
  438    HE3  TRP  55           HE3      TRP  55  -5.191  -1.654  -0.859
  439    HZ2  TRP  55           HZ2      TRP  55  -9.194   0.412   1.265
  440    HZ3  TRP  55           HZ3      TRP  55  -5.175  -1.110   1.568
  441    HH2  TRP  55           HH2      TRP  55  -7.167  -0.089   2.637
  442    H    TYR  56           H        TYR  56  -3.462  -1.468  -3.476
  443    HA   TYR  56           HA       TYR  56  -2.400  -2.450  -6.054
  444    HB2  TYR  56           2HB      TYR  56  -0.902  -0.818  -3.955
  445    HB3  TYR  56           3HB      TYR  56  -0.205  -1.506  -5.415
  446    HD1  TYR  56           HD1      TYR  56  -1.018  -0.691  -7.658
  447    HD2  TYR  56           HD2      TYR  56  -1.984   1.345  -4.007
  448    HE1  TYR  56           HE1      TYR  56  -1.637   1.351  -8.974
  449    HE2  TYR  56           HE2      TYR  56  -2.625   3.367  -5.310
  450    HH   TYR  56           HH       TYR  56  -2.455   3.481  -8.883
  451    H    HIS  57           H        HIS  57  -0.848  -4.066  -5.830
  452    HA   HIS  57           HA       HIS  57  -0.909  -5.913  -3.525
  453    HB2  HIS  57           2HB      HIS  57   0.858  -5.860  -5.990
  454    HB3  HIS  57           3HB      HIS  57   0.958  -7.074  -4.746
  455    HD2  HIS  57           HD2      HIS  57  -1.495  -8.464  -4.260
  456    HE1  HIS  57           HE1      HIS  57  -2.622  -8.289  -8.352
  457    HE2  HIS  57           HE2      HIS  57  -3.026  -9.479  -6.170
  458    HA   PRO  58           HA       PRO  58   2.784  -4.221  -1.390
  459    HB2  PRO  58           2HB      PRO  58   3.686  -7.094  -1.276
  460    HB3  PRO  58           3HB      PRO  58   3.662  -5.859   0.025
  461    HG2  PRO  58           2HG      PRO  58   1.715  -7.721  -0.059
  462    HG3  PRO  58           3HG      PRO  58   1.272  -6.000   0.206
  463    HD2  PRO  58           2HD      PRO  58   1.209  -7.568  -2.391
  464    HD3  PRO  58           3HD      PRO  58  -0.060  -6.534  -1.674
  465    H    GLY  59           H        GLY  59   3.233  -6.434  -4.083
  466    HA2  GLY  59           2HA      GLY  59   6.009  -5.525  -4.645
  467    HA3  GLY  59           3HA      GLY  59   5.140  -6.832  -5.469
  468    H    CYS  60           HN       CYS  60   2.914  -4.395  -5.453
  469    HA   CYS  60           HA       CYS  60   3.864  -3.283  -8.044
  470    HB2  CYS  60           2HB      CYS  60   1.063  -3.490  -6.948
  471    HB3  CYS  60           3HB      CYS  60   1.530  -2.852  -8.535
  472    H    PHE  61           H        PHE  61   2.482  -2.250  -4.898
  473    HA   PHE  61           HA       PHE  61   2.491   0.514  -5.560
  474    HB2  PHE  61           2HB      PHE  61   1.760   0.826  -3.480
  475    HB3  PHE  61           3HB      PHE  61   1.572  -0.922  -3.495
  476    HD1  PHE  61           HD2      PHE  61   3.360  -2.357  -2.520
  477    HD2  PHE  61           HD1      PHE  61   3.319   1.892  -2.003
  478    HE1  PHE  61           HE2      PHE  61   4.772  -2.614  -0.468
  479    HE2  PHE  61           HE1      PHE  61   4.619   1.655   0.120
  480    HZ   PHE  61           HZ       PHE  61   5.359  -0.599   0.878
  481    H    VAL  62           H        VAL  62   5.117  -1.536  -4.371
  482    HA   VAL  62           HA       VAL  62   7.225   0.416  -4.316
  483    HB   VAL  62           HB       VAL  62   8.706  -1.610  -4.664
  484   HG11  VAL  62          1HG1      VAL  62   8.200  -2.593  -2.501
  485   HG12  VAL  62          2HG1      VAL  62   8.078  -0.838  -2.431
  486   HG13  VAL  62          3HG1      VAL  62   6.601  -1.831  -2.480
  487   HG21  VAL  62          3HG2      VAL  62   7.759  -3.830  -4.485
  488   HG22  VAL  62          1HG2      VAL  62   6.128  -3.159  -4.653
  489   HG23  VAL  62          2HG2      VAL  62   7.296  -3.046  -5.995
  490    H    LYS  63           H        LYS  63   5.782  -1.322  -6.990
  491    HA   LYS  63           HA       LYS  63   7.903  -0.724  -8.926
  492    HB2  LYS  63           2HB      LYS  63   6.662  -2.849  -8.844
  493    HB3  LYS  63           3HB      LYS  63   5.156  -1.987  -9.193
  494    HG2  LYS  63           2HG      LYS  63   5.880  -1.437 -11.414
  495    HG3  LYS  63           3HG      LYS  63   7.513  -2.044 -11.094
  496    HD2  LYS  63           2HD      LYS  63   6.113  -3.595 -12.443
  497    HD3  LYS  63           3HD      LYS  63   6.740  -4.329 -10.975
  498    HE2  LYS  63           2HE      LYS  63   4.029  -3.086 -10.721
  499    HE3  LYS  63           3HE      LYS  63   4.114  -4.429 -11.855
  500    HZ1  LYS  63           3HZ      LYS  63   4.893  -5.871 -10.136
  501    HZ2  LYS  63           1HZ      LYS  63   5.075  -4.664  -9.044
  502    HZ3  LYS  63           2HZ      LYS  63   3.584  -5.094  -9.524
  503    H    ASN  64           H        ASN  64   4.779   0.682  -8.059
  504    HA   ASN  64           HA       ASN  64   5.288   2.903  -9.979
  505    HB2  ASN  64           2HB      ASN  64   2.759   3.402  -9.084
  506    HB3  ASN  64           3HB      ASN  64   3.233   2.721 -10.618
  507   HD21  ASN  64          1HD2      ASN  64   1.902   1.955  -7.420
  508   HD22  ASN  64          2HD2      ASN  64   1.222   0.424  -7.985
  509    H    ARG  65           H        ARG  65   6.334   2.344  -6.998
  510    HA   ARG  65           HA       ARG  65   5.748   4.150  -5.198
  511    HB2  ARG  65           2HB      ARG  65   7.652   2.618  -5.076
  512    HB3  ARG  65           3HB      ARG  65   8.486   3.452  -6.385
  513    HG2  ARG  65           2HG      ARG  65   8.726   5.456  -4.870
  514    HG3  ARG  65           3HG      ARG  65   8.035   4.459  -3.567
  515    HD2  ARG  65           2HD      ARG  65   9.898   2.865  -3.815
  516    HD3  ARG  65           3HD      ARG  65  10.583   3.861  -5.116
  517    HE   ARG  65           HE       ARG  65  10.472   5.724  -3.234
  518   HH11  ARG  65          1HH2      ARG  65  11.760   2.480  -2.838
  519   HH12  ARG  65          2HH2      ARG  65  12.608   2.939  -1.377
  520   HH21  ARG  65          1HH1      ARG  65  11.581   6.169  -1.356
  521   HH22  ARG  65          2HH1      ARG  65  12.421   4.875  -0.532
  522    H    GLU  66           H        GLU  66   7.771   5.065  -7.993
  523    HA   GLU  66           HA       GLU  66   7.845   7.815  -7.214
  524    HB2  GLU  66           2HB      GLU  66   9.023   8.197  -9.347
  525    HB3  GLU  66           3HB      GLU  66   9.706   6.884  -8.389
  526    HG2  GLU  66           2HG      GLU  66   8.604   5.211  -9.830
  527    HG3  GLU  66           3HG      GLU  66   7.846   6.497 -10.776
  528    H    GLU  67           H        GLU  67   5.589   6.050  -9.181
  529    HA   GLU  67           HA       GLU  67   4.330   8.403 -10.401
  530    HB2  GLU  67           2HB      GLU  67   4.452   6.227 -11.560
  531    HB3  GLU  67           3HB      GLU  67   3.434   5.504 -10.309
  532    HG2  GLU  67           2HG      GLU  67   1.575   6.976 -10.902
  533    HG3  GLU  67           3HG      GLU  67   2.596   7.871 -12.033
  534    H    LEU  68           H        LEU  68   3.743   6.183  -7.658
  535    HA   LEU  68           HA       LEU  68   1.335   7.481  -6.700
  536    HB2  LEU  68           2HB      LEU  68   3.413   5.789  -5.262
  537    HB3  LEU  68           3HB      LEU  68   1.838   6.225  -4.606
  538    HG   LEU  68           HG       LEU  68   2.383   4.411  -6.988
  539   HD11  LEU  68          1HD1      LEU  68   1.253   3.882  -4.215
  540   HD12  LEU  68          2HD1      LEU  68   1.368   2.688  -5.516
  541   HD13  LEU  68          3HD1      LEU  68   2.848   3.381  -4.822
  542   HD21  LEU  68          3HD2      LEU  68  -0.309   5.093  -5.775
  543   HD22  LEU  68          1HD2      LEU  68   0.275   5.663  -7.363
  544   HD23  LEU  68          2HD2      LEU  68   0.035   3.947  -7.084
  545    H    GLY  69           H        GLY  69   4.679   8.373  -6.508
  546    HA2  GLY  69           2HA      GLY  69   5.368  10.572  -6.045
  547    HA3  GLY  69           3HA      GLY  69   3.915  10.862  -5.092
  548    H    PHE  70           H        PHE  70   5.751   7.955  -4.394
  549    HA   PHE  70           HA       PHE  70   6.386   8.724  -1.683
  550    HB2  PHE  70           2HB      PHE  70   7.168   6.481  -3.527
  551    HB3  PHE  70           3HB      PHE  70   8.007   6.674  -2.004
  552    HD1  PHE  70           HD1      PHE  70   4.796   5.785  -3.574
  553    HD2  PHE  70           HD2      PHE  70   6.967   6.157   0.121
  554    HE1  PHE  70           HE1      PHE  70   3.090   4.379  -2.434
  555    HE2  PHE  70           HE2      PHE  70   5.283   4.735   1.259
  556    HZ   PHE  70           HZ       PHE  70   3.348   3.837  -0.023
  557    H    ARG  71           H        ARG  71   8.220   9.388  -0.772
  558    HA   ARG  71           HA       ARG  71  10.762   9.670  -2.256
  559    HB2  ARG  71           2HB      ARG  71   9.521  11.835  -0.483
  560    HB3  ARG  71           3HB      ARG  71  11.187  11.845  -1.005
  561    HG2  ARG  71           2HG      ARG  71   8.772  12.009  -2.856
  562    HG3  ARG  71           3HG      ARG  71   9.781  13.360  -2.348
  563    HD2  ARG  71           2HD      ARG  71  10.719  10.968  -3.974
  564    HD3  ARG  71           3HD      ARG  71  10.342  12.567  -4.621
  565    HE   ARG  71           HE       ARG  71  12.214  13.246  -2.819
  566   HH11  ARG  71          1HH2      ARG  71  12.334  10.731  -5.256
  567   HH12  ARG  71          2HH2      ARG  71  14.072  10.786  -5.355
  568   HH21  ARG  71          1HH1      ARG  71  14.427  13.265  -3.000
  569   HH22  ARG  71          2HH1      ARG  71  15.218  12.193  -4.116
  570    HA   PRO  72           HA       PRO  72  12.441   7.589   1.189
  571    HB2  PRO  72           2HB      PRO  72  14.491   9.796   1.492
  572    HB3  PRO  72           3HB      PRO  72  14.741   8.023   1.485
  573    HG2  PRO  72           2HG      PRO  72  15.260   9.456  -0.751
  574    HG3  PRO  72           3HG      PRO  72  14.351   7.914  -0.889
  575    HD2  PRO  72           2HD      PRO  72  13.260  10.743  -0.851
  576    HD3  PRO  72           3HD      PRO  72  12.844   9.386  -1.939
  577    H    GLU  73           H        GLU  73  11.974  11.095   1.766
  578    HA   GLU  73           HA       GLU  73  12.010  10.882   4.639
  579    HB2  GLU  73           2HB      GLU  73  11.218  13.171   4.633
  580    HB3  GLU  73           3HB      GLU  73  12.485  12.963   3.426
  581    HG2  GLU  73           2HG      GLU  73  10.708  12.787   1.646
  582    HG3  GLU  73           3HG      GLU  73   9.487  13.105   2.879
  583    H    TYR  74           H        TYR  74   9.611   9.833   2.464
  584    HA   TYR  74           HA       TYR  74   7.931   9.115   4.724
  585    HB2  TYR  74           2HB      TYR  74   5.817   9.831   3.446
  586    HB3  TYR  74           3HB      TYR  74   6.711  10.974   4.411
  587    HD1  TYR  74           HD1      TYR  74   7.035   9.836   0.827
  588    HD2  TYR  74           HD2      TYR  74   6.589  13.105   3.592
  589    HE1  TYR  74           HE1      TYR  74   6.944  11.450  -1.083
  590    HE2  TYR  74           HE2      TYR  74   6.556  14.714   1.691
  591    HH   TYR  74           HH       TYR  74   6.732  13.629  -1.721
  592    H    SER  75           H        SER  75   9.372   7.369   3.914
  593    HA   SER  75           HA       SER  75   8.688   5.494   1.939
  594    HB2  SER  75           2HB      SER  75   9.875   3.980   3.460
  595    HB3  SER  75           3HB      SER  75  10.668   5.561   3.459
  596    HG   SER  75           HG       SER  75  10.343   4.744   5.601
  597    H    ALA  76           H        ALA  76   8.012   3.141   2.970
  598    HA   ALA  76           HA       ALA  76   5.225   3.027   3.398
  599    HB1  ALA  76           1HB      ALA  76   7.498   1.132   4.101
  600    HB2  ALA  76           2HB      ALA  76   5.790   0.740   4.379
  601    HB3  ALA  76           3HB      ALA  76   6.345   1.045   2.736
  602    H    SER  77           H        SER  77   7.654   3.874   5.807
  603    HA   SER  77           HA       SER  77   6.245   3.211   8.170
  604    HB2  SER  77           2HB      SER  77   7.974   5.659   7.571
  605    HB3  SER  77           3HB      SER  77   7.601   5.021   9.181
  606    HG   SER  77           HG       SER  77   9.666   4.361   8.364
  607    H    GLN  78           H        GLN  78   5.698   5.721   5.766
  608    HA   GLN  78           HA       GLN  78   3.851   7.177   7.490
  609    HB2  GLN  78           2HB      GLN  78   5.212   7.915   4.891
  610    HB3  GLN  78           3HB      GLN  78   4.056   8.948   5.715
  611    HG2  GLN  78           2HG      GLN  78   6.708   8.007   6.891
  612    HG3  GLN  78           3HG      GLN  78   6.370   9.609   6.256
  613   HE21  GLN  78          2HE2      GLN  78   7.154   8.727   9.072
  614   HE22  GLN  78          1HE2      GLN  78   5.857   9.405  10.062
  615    H    LEU  79           H        LEU  79   3.147   4.553   6.160
  616    HA   LEU  79           HA       LEU  79   0.745   5.334   4.587
  617    HB2  LEU  79           2HB      LEU  79   1.923   2.676   5.498
  618    HB3  LEU  79           3HB      LEU  79   0.372   2.799   4.689
  619    HG   LEU  79           HG       LEU  79   2.829   3.906   3.311
  620   HD11  LEU  79          1HD1      LEU  79   2.019   0.979   3.167
  621   HD12  LEU  79          2HD1      LEU  79   3.311   1.786   2.260
  622   HD13  LEU  79          3HD1      LEU  79   3.441   1.578   4.014
  623   HD21  LEU  79          3HD2      LEU  79   1.604   3.428   1.323
  624   HD22  LEU  79          1HD2      LEU  79   0.440   2.409   2.188
  625   HD23  LEU  79          2HD2      LEU  79   0.453   4.154   2.454
  626    H    LYS  80           H        LYS  80  -1.310   5.371   5.372
  627    HA   LYS  80           HA       LYS  80  -1.872   5.528   8.158
  628    HB2  LYS  80           2HB      LYS  80  -3.863   4.779   5.972
  629    HB3  LYS  80           3HB      LYS  80  -4.249   5.313   7.606
  630    HG2  LYS  80           2HG      LYS  80  -3.012   7.449   7.114
  631    HG3  LYS  80           3HG      LYS  80  -2.933   6.938   5.415
  632    HD2  LYS  80           2HD      LYS  80  -5.446   7.432   7.087
  633    HD3  LYS  80           3HD      LYS  80  -4.783   8.531   5.874
  634    HE2  LYS  80           2HE      LYS  80  -5.191   6.863   4.098
  635    HE3  LYS  80           3HE      LYS  80  -5.818   5.719   5.298
  636    HZ1  LYS  80           3HZ      LYS  80  -7.607   7.292   5.782
  637    HZ2  LYS  80           1HZ      LYS  80  -7.037   8.360   4.685
  638    HZ3  LYS  80           2HZ      LYS  80  -7.620   6.914   4.195
  639    H    GLY  81           H        GLY  81  -2.482   4.119   9.680
  640    HA2  GLY  81           2HA      GLY  81  -2.964   2.141  10.767
  641    HA3  GLY  81           3HA      GLY  81  -3.536   1.491   9.227
  642    H    PHE  82           H        PHE  82  -0.240   2.474   8.974
  643    HA   PHE  82           HA       PHE  82   0.726  -0.105   8.354
  644    HB2  PHE  82           2HB      PHE  82   1.845   1.760   7.495
  645    HB3  PHE  82           3HB      PHE  82   1.945   2.565   9.050
  646    HD1  PHE  82           HD2      PHE  82   3.579   0.043   6.863
  647    HD2  PHE  82           HD1      PHE  82   3.647   2.113  10.650
  648    HE1  PHE  82           HE2      PHE  82   5.950  -0.610   7.187
  649    HE2  PHE  82           HE1      PHE  82   6.012   1.426  10.970
  650    HZ   PHE  82           HZ       PHE  82   7.164   0.088   9.236
  651    H    SER  83           H        SER  83   1.047   1.732  11.431
  652    HA   SER  83           HA       SER  83   2.553  -0.185  12.860
  653    HB2  SER  83           2HB      SER  83   0.497   1.800  13.894
  654    HB3  SER  83           3HB      SER  83   1.824   1.071  14.834
  655    HG   SER  83           HG       SER  83   3.241   2.064  13.174
  656    H    LEU  84           H        LEU  84  -0.862  -0.256  12.063
  657    HA   LEU  84           HA       LEU  84  -1.647  -2.059  14.187
  658    HB2  LEU  84           2HB      LEU  84  -2.952  -0.194  12.702
  659    HB3  LEU  84           3HB      LEU  84  -3.250  -1.592  11.681
  660    HG   LEU  84           HG       LEU  84  -4.248  -2.750  13.734
  661   HD11  LEU  84          1HD1      LEU  84  -4.946  -1.218  15.592
  662   HD12  LEU  84          2HD1      LEU  84  -3.188  -1.390  15.509
  663   HD13  LEU  84          3HD1      LEU  84  -3.953   0.073  14.868
  664   HD21  LEU  84          3HD2      LEU  84  -6.346  -1.446  13.621
  665   HD22  LEU  84          1HD2      LEU  84  -5.471  -0.100  12.850
  666   HD23  LEU  84          2HD2      LEU  84  -5.635  -1.657  12.011
  667    H    LEU  85           H        LEU  85  -0.034  -2.558  11.205
  668    HA   LEU  85           HA       LEU  85  -1.063  -5.209  10.614
  669    HB2  LEU  85           2HB      LEU  85   1.336  -3.598   9.706
  670    HB3  LEU  85           3HB      LEU  85   1.228  -5.297   9.338
  671    HG   LEU  85           HG       LEU  85  -0.809  -5.026   8.072
  672   HD11  LEU  85          1HD1      LEU  85  -0.612  -2.058   8.664
  673   HD12  LEU  85          2HD1      LEU  85  -1.682  -2.797   7.455
  674   HD13  LEU  85          3HD1      LEU  85  -1.924  -3.146   9.167
  675   HD21  LEU  85          3HD2      LEU  85   1.295  -2.986   7.280
  676   HD22  LEU  85          1HD2      LEU  85   1.364  -4.733   6.958
  677   HD23  LEU  85          2HD2      LEU  85   0.106  -3.748   6.198
  678    H    ALA  86           H        ALA  86   0.482  -7.137  10.585
  679    HA   ALA  86           HA       ALA  86   1.568  -7.692  13.234
  680    HB1  ALA  86           1HB      ALA  86   0.622  -9.459  11.745
  681    HB2  ALA  86           2HB      ALA  86   1.953  -9.172  10.598
  682    HB3  ALA  86           3HB      ALA  86   2.301  -9.789  12.224
  683    H    THR  87           H        THR  87   3.739  -7.650  13.853
  684    HA   THR  87           HA       THR  87   5.256  -5.520  12.843
  685    HB   THR  87           HB       THR  87   6.191  -7.803  14.566
  686    HG1  THR  87           1HG      THR  87   5.405  -6.472  16.219
  687   HG21  THR  87          1HG2      THR  87   8.089  -6.341  13.918
  688   HG22  THR  87          2HG2      THR  87   7.147  -4.898  14.359
  689   HG23  THR  87          3HG2      THR  87   7.660  -6.055  15.610
  690    H    GLU  88           H        GLU  88   5.607  -8.968  12.043
  691    HA   GLU  88           HA       GLU  88   8.009  -8.742  10.512
  692    HB2  GLU  88           2HB      GLU  88   7.342 -10.810   9.464
  693    HB3  GLU  88           3HB      GLU  88   7.046 -10.874  11.200
  694    HG2  GLU  88           2HG      GLU  88   4.608 -10.385  10.753
  695    HG3  GLU  88           3HG      GLU  88   4.949 -10.467   9.022
  696    H    ASP  89           H        ASP  89   4.675  -7.772   9.685
  697    HA   ASP  89           HA       ASP  89   5.448  -7.198   6.889
  698    HB2  ASP  89           2HB      ASP  89   2.849  -6.764   8.377
  699    HB3  ASP  89           3HB      ASP  89   3.140  -6.335   6.694
  700    H    LYS  90           H        LYS  90   4.963  -5.356   9.927
  701    HA   LYS  90           HA       LYS  90   5.432  -2.736   8.762
  702    HB2  LYS  90           2HB      LYS  90   5.950  -3.835  11.553
  703    HB3  LYS  90           3HB      LYS  90   6.395  -2.203  11.089
  704    HG2  LYS  90           2HG      LYS  90   4.342  -1.448  11.470
  705    HG3  LYS  90           3HG      LYS  90   3.726  -2.496  10.200
  706    HD2  LYS  90           2HD      LYS  90   2.442  -2.989  12.097
  707    HD3  LYS  90           3HD      LYS  90   3.542  -4.341  11.899
  708    HE2  LYS  90           2HE      LYS  90   5.018  -3.223  13.706
  709    HE3  LYS  90           3HE      LYS  90   3.703  -2.065  13.912
  710    HZ1  LYS  90           3HZ      LYS  90   3.121  -3.636  15.466
  711    HZ2  LYS  90           1HZ      LYS  90   2.304  -4.244  14.184
  712    HZ3  LYS  90           2HZ      LYS  90   3.748  -4.898  14.654
  713    H    GLU  91           H        GLU  91   7.696  -5.286   9.746
  714    HA   GLU  91           HA       GLU  91  10.040  -3.695   8.982
  715    HB2  GLU  91           2HB      GLU  91   9.680  -6.674   9.466
  716    HB3  GLU  91           3HB      GLU  91  11.224  -5.900   9.107
  717    HG2  GLU  91           2HG      GLU  91   9.478  -5.277  11.533
  718    HG3  GLU  91           3HG      GLU  91  10.893  -6.317  11.528
  719    H    ALA  92           H        ALA  92   8.227  -6.367   7.331
  720    HA   ALA  92           HA       ALA  92   9.900  -6.362   5.061
  721    HB1  ALA  92           1HB      ALA  92   6.986  -7.193   5.252
  722    HB2  ALA  92           2HB      ALA  92   8.140  -7.664   3.987
  723    HB3  ALA  92           3HB      ALA  92   8.402  -8.202   5.654
  724    H    LEU  93           H        LEU  93   6.972  -4.345   5.639
  725    HA   LEU  93           HA       LEU  93   6.856  -3.322   2.950
  726    HB2  LEU  93           2HB      LEU  93   5.812  -2.315   5.616
  727    HB3  LEU  93           3HB      LEU  93   5.555  -1.438   4.111
  728    HG   LEU  93           HG       LEU  93   4.586  -4.286   4.564
  729   HD11  LEU  93          1HD1      LEU  93   3.127  -1.606   4.651
  730   HD12  LEU  93          2HD1      LEU  93   2.371  -3.208   4.777
  731   HD13  LEU  93          3HD1      LEU  93   3.477  -2.659   6.043
  732   HD21  LEU  93          3HD2      LEU  93   4.051  -2.248   2.355
  733   HD22  LEU  93          1HD2      LEU  93   4.916  -3.793   2.180
  734   HD23  LEU  93          2HD2      LEU  93   3.196  -3.790   2.552
  735    H    LYS  94           H        LYS  94   8.670  -2.139   5.831
  736    HA   LYS  94           HA       LYS  94   9.818   0.119   4.425
  737    HB2  LYS  94           2HB      LYS  94  10.773  -1.430   6.872
  738    HB3  LYS  94           3HB      LYS  94  11.515   0.047   6.244
  739    HG2  LYS  94           2HG      LYS  94   9.277   1.210   6.540
  740    HG3  LYS  94           3HG      LYS  94   8.709  -0.222   7.396
  741    HD2  LYS  94           2HD      LYS  94  11.038   1.588   8.158
  742    HD3  LYS  94           3HD      LYS  94   9.482   1.509   8.975
  743    HE2  LYS  94           2HE      LYS  94  11.385  -0.865   8.827
  744    HE3  LYS  94           3HE      LYS  94  11.460   0.352  10.101
  745    HZ1  LYS  94           3HZ      LYS  94  10.123  -1.581  10.725
  746    HZ2  LYS  94           1HZ      LYS  94   9.257  -0.178  10.779
  747    HZ3  LYS  94           2HZ      LYS  94   9.040  -1.255   9.533
  748    H    LYS  95           H        LYS  95  10.878  -3.293   4.936
  749    HA   LYS  95           HA       LYS  95  13.355  -3.005   3.561
  750    HB2  LYS  95           2HB      LYS  95  11.539  -5.410   3.949
  751    HB3  LYS  95           3HB      LYS  95  13.098  -5.549   3.177
  752    HG2  LYS  95           2HG      LYS  95  12.752  -4.399   5.981
  753    HG3  LYS  95           3HG      LYS  95  12.988  -6.112   5.670
  754    HD2  LYS  95           2HD      LYS  95  14.959  -3.919   4.882
  755    HD3  LYS  95           3HD      LYS  95  15.057  -4.919   6.336
  756    HE2  LYS  95           2HE      LYS  95  15.148  -6.970   4.912
  757    HE3  LYS  95           3HE      LYS  95  15.142  -5.953   3.467
  758    HZ1  LYS  95           3HZ      LYS  95  17.235  -4.958   4.237
  759    HZ2  LYS  95           1HZ      LYS  95  17.242  -5.905   5.570
  760    HZ3  LYS  95           2HZ      LYS  95  17.402  -6.574   4.092
  761    H    GLN  96           H        GLN  96  10.179  -3.295   2.221
  762    HA   GLN  96           HA       GLN  96  11.137  -3.791  -0.538
  763    HB2  GLN  96           2HB      GLN  96   8.403  -3.727   0.787
  764    HB3  GLN  96           3HB      GLN  96   8.640  -3.975  -0.944
  765    HG2  GLN  96           2HG      GLN  96   9.861  -6.010  -0.625
  766    HG3  GLN  96           3HG      GLN  96   9.939  -5.790   1.116
  767   HE21  GLN  96          2HE2      GLN  96   9.031  -8.158   0.649
  768   HE22  GLN  96          1HE2      GLN  96   7.276  -8.247   0.718
  769    H    LEU  97           H        LEU  97   9.460  -1.253   1.340
  770    HA   LEU  97           HA       LEU  97  10.043   0.744  -0.804
  771    HB2  LEU  97           2HB      LEU  97   7.580  -0.005  -0.345
  772    HB3  LEU  97           3HB      LEU  97   7.743   0.834   1.152
  773    HG   LEU  97           HG       LEU  97   6.691   2.426  -0.073
  774   HD11  LEU  97          1HD1      LEU  97   8.189   4.156  -1.030
  775   HD12  LEU  97          2HD1      LEU  97   8.645   3.640   0.593
  776   HD13  LEU  97          3HD1      LEU  97   9.557   3.059  -0.821
  777   HD21  LEU  97          3HD2      LEU  97   6.608   1.092  -2.126
  778   HD22  LEU  97          1HD2      LEU  97   6.868   2.798  -2.446
  779   HD23  LEU  97          2HD2      LEU  97   8.244   1.659  -2.560
  780    HA   PRO  98           HA       PRO  98  12.000   1.748   3.292
  781    HB2  PRO  98           2HB      PRO  98  14.693   1.799   2.643
  782    HB3  PRO  98           3HB      PRO  98  13.807   0.323   3.082
  783    HG2  PRO  98           2HG      PRO  98  14.536   1.330   0.333
  784    HG3  PRO  98           3HG      PRO  98  14.527  -0.357   0.959
  785    HD2  PRO  98           2HD      PRO  98  12.516   0.688  -0.609
  786    HD3  PRO  98           3HD      PRO  98  12.306  -0.608   0.600
  787    H    GLY  99           H        GLY  99  12.750   3.766   4.090
  788    HA2  GLY  99           2HA      GLY  99  14.161   5.664   2.336
  789    HA3  GLY  99           3HA      GLY  99  12.643   6.224   3.027
  790    H    VAL 100           H        VAL 100  13.256   7.666   4.578
  791    HA   VAL 100           HA       VAL 100  15.167   6.798   6.694
  792    HB   VAL 100           HB       VAL 100  16.216   8.427   5.204
  793   HG11  VAL 100          1HG1      VAL 100  14.286   9.781   4.510
  794   HG12  VAL 100          2HG1      VAL 100  14.116  10.418   6.162
  795   HG13  VAL 100          3HG1      VAL 100  15.562  10.785   5.203
  796   HG21  VAL 100          3HG2      VAL 100  15.734   9.608   7.965
  797   HG22  VAL 100          1HG2      VAL 100  16.858   8.276   7.595
  798   HG23  VAL 100          2HG2      VAL 100  17.115   9.878   6.895
  799    H    LYS 101           H        LYS 101  14.689   7.367   8.802
  800    HA   LYS 101           HA       LYS 101  11.932   7.306   9.490
  801    HB2  LYS 101           2HB      LYS 101  12.701   7.279  11.788
  802    HB3  LYS 101           3HB      LYS 101  13.738   6.261  10.791
  803    HG2  LYS 101           2HG      LYS 101  15.421   8.151  10.700
  804    HG3  LYS 101           3HG      LYS 101  14.387   9.074  11.804
  805    HD2  LYS 101           2HD      LYS 101  14.621   7.290  13.516
  806    HD3  LYS 101           3HD      LYS 101  15.637   6.356  12.394
  807    HE2  LYS 101           2HE      LYS 101  17.227   8.309  12.292
  808    HE3  LYS 101           3HE      LYS 101  16.257   9.126  13.523
  809    HZ1  LYS 101           3HZ      LYS 101  17.660   6.526  13.883
  810    HZ2  LYS 101           1HZ      LYS 101  18.136   7.950  14.514
  811    HZ3  LYS 101           2HZ      LYS 101  16.754   7.251  15.032
  812    H    SER 102           H        SER 102  13.744  10.061   8.797
  813    HA   SER 102           HA       SER 102  13.529  12.280   8.967
  814    HB2  SER 102           2HB      SER 102  11.211  11.833   8.191
  815    HB3  SER 102           3HB      SER 102  10.671  11.891   9.882
  816    HG   SER 102           HG       SER 102  10.486  13.925   8.795
  817    H    GLU 103           H        GLU 103  12.095  10.767  11.903
  818    HA   GLU 103           HA       GLU 103  14.061  12.205  13.542
  819    HB2  GLU 103           2HB      GLU 103  11.427  13.244  13.315
  820    HB3  GLU 103           3HB      GLU 103  11.428  12.385  14.846
  821    HG2  GLU 103           2HG      GLU 103  13.489  14.486  14.019
  822    HG3  GLU 103           3HG      GLU 103  12.040  14.821  14.959
  823    H    GLY 104           H        GLY 104  14.279  11.335  15.688
  824    HA2  GLY 104           2HA      GLY 104  14.142   8.456  15.776
  825    HA3  GLY 104           3HA      GLY 104  14.744   9.537  17.032
  826    H    LYS 105           H        LYS 105  11.460  10.116  16.072
  827    HA   LYS 105           HA       LYS 105  10.478   9.136  18.699
  828    HB2  LYS 105           2HB      LYS 105   9.183  10.922  16.598
  829    HB3  LYS 105           3HB      LYS 105   8.455  10.461  18.142
  830    HG2  LYS 105           2HG      LYS 105  10.432  11.481  19.329
  831    HG3  LYS 105           3HG      LYS 105  10.995  12.096  17.764
  832    HD2  LYS 105           2HD      LYS 105   8.877  13.385  17.509
  833    HD3  LYS 105           3HD      LYS 105   8.287  12.700  19.028
  834    HE2  LYS 105           2HE      LYS 105   9.040  14.822  19.650
  835    HE3  LYS 105           3HE      LYS 105  10.317  13.725  20.180
  836    HZ1  LYS 105           3HZ      LYS 105  11.244  15.657  19.061
  837    HZ2  LYS 105           1HZ      LYS 105  11.568  14.355  18.134
  838    HZ3  LYS 105           2HZ      LYS 105  10.370  15.386  17.713
  839    H    ARG 106           H        ARG 106  10.649   7.808  15.640
  840    HA   ARG 106           HA       ARG 106   8.073   6.445  15.565
  841    HB2  ARG 106           2HB      ARG 106  10.674   6.070  14.031
  842    HB3  ARG 106           3HB      ARG 106   9.246   5.092  13.735
  843    HG2  ARG 106           2HG      ARG 106   9.360   8.132  13.466
  844    HG3  ARG 106           3HG      ARG 106   9.498   6.987  12.137
  845    HD2  ARG 106           2HD      ARG 106   7.032   7.347  13.902
  846    HD3  ARG 106           3HD      ARG 106   7.256   7.966  12.267
  847    HE   ARG 106           HE       ARG 106   7.560   5.031  12.601
  848   HH11  ARG 106          1HH2      ARG 106   5.298   7.552  11.503
  849   HH12  ARG 106          2HH2      ARG 106   4.529   6.391  10.438
  850   HH21  ARG 106          1HH1      ARG 106   6.511   3.770  11.386
  851   HH22  ARG 106          2HH1      ARG 106   5.149   4.334  10.387
  852    H    LYS 107           H        LYS 107  11.092   5.627  17.140
  853    HA   LYS 107           HA       LYS 107  10.534   2.826  17.529
  854    HB2  LYS 107           2HB      LYS 107  12.157   2.860  19.306
  855    HB3  LYS 107           3HB      LYS 107  12.765   3.749  17.911
  856    HG2  LYS 107           2HG      LYS 107  12.224   5.895  19.035
  857    HG3  LYS 107           3HG      LYS 107  11.593   5.011  20.436
  858    HD2  LYS 107           2HD      LYS 107  13.795   3.976  20.809
  859    HD3  LYS 107           3HD      LYS 107  14.475   4.855  19.434
  860    HE2  LYS 107           2HE      LYS 107  13.158   6.224  21.824
  861    HE3  LYS 107           3HE      LYS 107  14.875   5.814  21.793
  862    HZ1  LYS 107           3HZ      LYS 107  14.453   8.105  21.056
  863    HZ2  LYS 107           1HZ      LYS 107  15.168   7.234  19.878
  864    HZ3  LYS 107           2HZ      LYS 107  13.575   7.579  19.778
  865    H    GLY 108           H        GLY 108   9.475   1.722  19.143
  866    HA2  GLY 108           2HA      GLY 108   7.810   1.319  20.723
  867    HA3  GLY 108           3HA      GLY 108   7.892   3.017  21.210
  868    H    ASP 109           H        ASP 109   7.258   4.268  18.769
  869    HA   ASP 109           HA       ASP 109   4.406   4.196  18.834
  870    HB2  ASP 109           2HB      ASP 109   5.714   6.207  18.481
  871    HB3  ASP 109           3HB      ASP 109   6.410   5.551  17.001
  872    H    GLU 110           H        GLU 110   6.679   2.768  16.490
  873    HA   GLU 110           HA       GLU 110   4.333   1.348  15.283
  874    HB2  GLU 110           2HB      GLU 110   5.591   0.965  13.315
  875    HB3  GLU 110           3HB      GLU 110   5.728   2.678  13.709
  876    HG2  GLU 110           2HG      GLU 110   7.997   2.192  14.729
  877    HG3  GLU 110           3HG      GLU 110   7.832   0.516  14.216
  878    H    VAL 111           H        VAL 111   6.861   0.869  17.450
  879    HA   VAL 111           HA       VAL 111   7.233  -2.006  16.872
  880    HB   VAL 111           HB       VAL 111   8.593  -0.417  19.067
  881   HG11  VAL 111          1HG1      VAL 111   8.745  -2.910  19.233
  882   HG12  VAL 111          2HG1      VAL 111   9.362  -2.973  17.570
  883   HG13  VAL 111          3HG1      VAL 111  10.308  -2.185  18.852
  884   HG21  VAL 111          3HG2      VAL 111   9.517  -0.860  16.196
  885   HG22  VAL 111          1HG2      VAL 111   9.140   0.704  16.943
  886   HG23  VAL 111          2HG2      VAL 111  10.527  -0.228  17.512
  887    H    ASP 112           H        ASP 112   4.824  -1.944  17.257
  888    HA   ASP 112           HA       ASP 112   4.102  -2.744  20.038
  889    HB2  ASP 112           2HB      ASP 112   3.615  -0.336  19.760
  890    HB3  ASP 112           3HB      ASP 112   2.664  -0.679  18.323
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -7.436   5.408  22.385
    2    H2   GLY   1           H2       GLY   1  -7.079   6.599  21.317
    3    H3   GLY   1           H3       GLY   1  -7.186   6.938  22.915
    4    HA2  GLY   1           2HA      GLY   1  -5.261   5.583  23.403
    5    HA3  GLY   1           3HA      GLY   1  -5.155   5.192  21.678
    6    H    SER   2           H        SER   2  -3.227   6.573  23.520
    7    HA   SER   2           HA       SER   2  -3.134   9.368  22.656
    8    HB2  SER   2           2HB      SER   2  -1.129   9.428  24.119
    9    HB3  SER   2           3HB      SER   2  -2.582   8.820  24.929
   10    HG   SER   2           HG       SER   2  -0.734   7.517  25.364
   11    H    LYS   3           H        LYS   3  -1.777   6.428  21.441
   12    HA   LYS   3           HA       LYS   3   0.621   7.506  20.226
   13    HB2  LYS   3           2HB      LYS   3  -0.970   4.966  19.666
   14    HB3  LYS   3           3HB      LYS   3   0.595   5.352  18.938
   15    HG2  LYS   3           2HG      LYS   3   1.667   5.398  21.153
   16    HG3  LYS   3           3HG      LYS   3   0.114   5.109  21.943
   17    HD2  LYS   3           2HD      LYS   3   1.337   3.048  21.897
   18    HD3  LYS   3           3HD      LYS   3  -0.062   2.903  20.826
   19    HE2  LYS   3           2HE      LYS   3   1.401   3.309  18.857
   20    HE3  LYS   3           3HE      LYS   3   2.795   3.513  19.928
   21    HZ1  LYS   3           3HZ      LYS   3   1.209   1.012  19.651
   22    HZ2  LYS   3           1HZ      LYS   3   2.695   1.261  19.024
   23    HZ3  LYS   3           2HZ      LYS   3   2.495   1.198  20.642
   24    H    ALA   4           H        ALA   4   1.082   7.938  18.068
   25    HA   ALA   4           HA       ALA   4  -1.137   8.239  16.133
   26    HB1  ALA   4           1HB      ALA   4   0.703  10.528  16.957
   27    HB2  ALA   4           2HB      ALA   4  -0.486  10.567  15.636
   28    HB3  ALA   4           3HB      ALA   4  -1.035  10.399  17.316
   29    H    GLU   5           H        GLU   5  -0.580   7.947  14.060
   30    HA   GLU   5           HA       GLU   5   2.126   6.991  13.392
   31    HB2  GLU   5           2HB      GLU   5  -0.427   7.167  11.751
   32    HB3  GLU   5           3HB      GLU   5   1.100   6.469  11.191
   33    HG2  GLU   5           2HG      GLU   5   1.025   4.796  13.017
   34    HG3  GLU   5           3HG      GLU   5  -0.535   5.437  13.549
   35    H    LYS   6           H        LYS   6   3.338   7.773  11.607
   36    HA   LYS   6           HA       LYS   6   3.318  10.739  11.471
   37    HB2  LYS   6           2HB      LYS   6   5.457   8.629  11.030
   38    HB3  LYS   6           3HB      LYS   6   5.694  10.310  10.576
   39    HG2  LYS   6           2HG      LYS   6   6.696   9.926  12.715
   40    HG3  LYS   6           3HG      LYS   6   5.367  11.077  12.860
   41    HD2  LYS   6           2HD      LYS   6   3.939   9.386  13.882
   42    HD3  LYS   6           3HD      LYS   6   5.162   8.121  13.592
   43    HE2  LYS   6           2HE      LYS   6   6.706   9.340  15.122
   44    HE3  LYS   6           3HE      LYS   6   5.473  10.586  15.361
   45    HZ1  LYS   6           3HZ      LYS   6   5.386   9.019  17.153
   46    HZ2  LYS   6           1HZ      LYS   6   4.007   8.812  16.262
   47    HZ3  LYS   6           2HZ      LYS   6   5.233   7.737  16.148
   48    H    THR   7           H        THR   7   1.608   8.883   9.774
   49    HA   THR   7           HA       THR   7   2.293   8.681   7.140
   50    HB   THR   7           HB       THR   7  -0.454   9.459   8.101
   51    HG1  THR   7           1HG      THR   7  -0.722   7.365   8.679
   52   HG21  THR   7          1HG2      THR   7   0.270   8.837   5.489
   53   HG22  THR   7          2HG2      THR   7  -0.174   7.283   6.110
   54   HG23  THR   7          3HG2      THR   7  -1.317   8.652   6.186
   55    H    LEU   8           H        LEU   8   2.211   9.831   5.293
   56    HA   LEU   8           HA       LEU   8   2.208  12.747   5.468
   57    HB2  LEU   8           2HB      LEU   8   2.931  12.840   3.333
   58    HB3  LEU   8           3HB      LEU   8   3.535  11.274   3.835
   59    HG   LEU   8           HG       LEU   8   1.088  11.816   2.084
   60   HD11  LEU   8          1HD1      LEU   8   3.760  10.549   1.400
   61   HD12  LEU   8          2HD1      LEU   8   2.400  10.829   0.295
   62   HD13  LEU   8          3HD1      LEU   8   3.273  12.206   0.988
   63   HD21  LEU   8          3HD2      LEU   8   2.312   9.183   2.977
   64   HD22  LEU   8          1HD2      LEU   8   0.686   9.751   3.357
   65   HD23  LEU   8          2HD2      LEU   8   1.098   9.356   1.690
   66    H    GLY   9           H        GLY   9  -0.442  10.633   5.244
   67    HA2  GLY   9           2HA      GLY   9  -2.699  11.153   5.236
   68    HA3  GLY   9           3HA      GLY   9  -2.329  12.830   4.842
   69    H    ASP  10           H        ASP  10  -1.192  10.080   2.847
   70    HA   ASP  10           HA       ASP  10  -3.246  10.670   0.816
   71    HB2  ASP  10           2HB      ASP  10  -0.830  11.953   0.654
   72    HB3  ASP  10           3HB      ASP  10  -0.489  10.487  -0.274
   73    H    PHE  11           H        PHE  11  -1.208   8.254   2.274
   74    HA   PHE  11           HA       PHE  11  -2.595   6.270   0.634
   75    HB2  PHE  11           2HB      PHE  11  -0.358   4.995   0.338
   76    HB3  PHE  11           3HB      PHE  11  -0.870   6.214  -0.774
   77    HD1  PHE  11           HD2      PHE  11   1.288   6.106   2.366
   78    HD2  PHE  11           HD1      PHE  11   0.716   7.584  -1.651
   79    HE1  PHE  11           HE2      PHE  11   3.591   7.003   2.360
   80    HE2  PHE  11           HE1      PHE  11   2.994   8.555  -1.611
   81    HZ   PHE  11           HZ       PHE  11   4.443   8.241   0.386
   82    H    ALA  12           H        ALA  12  -2.567   4.124   1.411
   83    HA   ALA  12           HA       ALA  12  -2.327   3.916   4.371
   84    HB1  ALA  12           1HB      ALA  12  -4.652   3.176   4.482
   85    HB2  ALA  12           2HB      ALA  12  -4.582   4.780   3.719
   86    HB3  ALA  12           3HB      ALA  12  -4.817   3.332   2.725
   87    H    ALA  13           H        ALA  13  -2.539   1.794   5.213
   88    HA   ALA  13           HA       ALA  13  -2.039  -0.497   3.367
   89    HB1  ALA  13           1HB      ALA  13  -0.489   0.244   5.893
   90    HB2  ALA  13           2HB      ALA  13  -0.188  -1.158   4.829
   91    HB3  ALA  13           3HB      ALA  13   0.069   0.496   4.230
   92    H    GLU  14           H        GLU  14  -2.923  -2.445   3.985
   93    HA   GLU  14           HA       GLU  14  -4.236  -2.842   6.607
   94    HB2  GLU  14           2HB      GLU  14  -5.706  -1.447   4.888
   95    HB3  GLU  14           3HB      GLU  14  -5.856  -2.986   4.042
   96    HG2  GLU  14           2HG      GLU  14  -6.812  -3.953   6.206
   97    HG3  GLU  14           3HG      GLU  14  -6.676  -2.349   6.913
   98    H    TYR  15           H        TYR  15  -5.194  -5.154   6.686
   99    HA   TYR  15           HA       TYR  15  -4.057  -7.041   4.685
  100    HB2  TYR  15           2HB      TYR  15  -6.063  -7.571   6.877
  101    HB3  TYR  15           3HB      TYR  15  -5.197  -8.758   5.913
  102    HD1  TYR  15           HD2      TYR  15  -2.349  -7.655   6.069
  103    HD2  TYR  15           HD1      TYR  15  -5.447  -8.081   9.054
  104    HE1  TYR  15           HE2      TYR  15  -0.615  -7.935   7.837
  105    HE2  TYR  15           HE1      TYR  15  -3.718  -8.323  10.808
  106    HH   TYR  15           HH       TYR  15  -1.516  -8.511  11.263
  107    H    ALA  16           H        ALA  16  -5.191  -7.972   3.063
  108    HA   ALA  16           HA       ALA  16  -7.525  -6.711   2.005
  109    HB1  ALA  16           1HB      ALA  16  -6.150  -9.320   1.394
  110    HB2  ALA  16           2HB      ALA  16  -7.350  -8.533   0.335
  111    HB3  ALA  16           3HB      ALA  16  -5.779  -7.754   0.656
  112    H    LYS  17           H        LYS  17  -9.440  -6.804   2.960
  113    HA   LYS  17           HA       LYS  17 -10.338  -8.998   4.627
  114    HB2  LYS  17           2HB      LYS  17 -11.589  -6.403   3.655
  115    HB3  LYS  17           3HB      LYS  17 -12.458  -7.539   4.696
  116    HG2  LYS  17           2HG      LYS  17 -10.888  -7.333   6.473
  117    HG3  LYS  17           3HG      LYS  17  -9.707  -6.490   5.465
  118    HD2  LYS  17           2HD      LYS  17 -11.105  -4.524   5.307
  119    HD3  LYS  17           3HD      LYS  17 -12.431  -5.331   6.178
  120    HE2  LYS  17           2HE      LYS  17 -11.148  -5.467   8.206
  121    HE3  LYS  17           3HE      LYS  17  -9.653  -5.008   7.380
  122    HZ1  LYS  17           3HZ      LYS  17 -10.691  -3.162   8.643
  123    HZ2  LYS  17           1HZ      LYS  17 -10.457  -2.813   7.067
  124    HZ3  LYS  17           2HZ      LYS  17 -11.971  -3.172   7.622
  125    H    SER  18           H        SER  18 -10.787  -8.372   1.231
  126    HA   SER  18           HA       SER  18 -11.930 -11.032   0.968
  127    HB2  SER  18           2HB      SER  18 -13.958  -9.526   1.285
  128    HB3  SER  18           3HB      SER  18 -13.530  -8.754  -0.258
  129    HG   SER  18           HG       SER  18 -15.037 -10.583  -0.374
  130    H    ASN  19           H        ASN  19 -11.878 -11.816  -1.209
  131    HA   ASN  19           HA       ASN  19  -9.706 -10.727  -2.835
  132    HB2  ASN  19           2HB      ASN  19  -9.920 -13.150  -2.331
  133    HB3  ASN  19           3HB      ASN  19 -11.480 -13.168  -3.174
  134   HD21  ASN  19          2HD2      ASN  19  -8.258 -11.740  -4.133
  135   HD22  ASN  19          1HD2      ASN  19  -8.177 -12.726  -5.586
  136    H    ARG  20           H        ARG  20 -11.950  -9.000  -2.688
  137    HA   ARG  20           HA       ARG  20 -13.019  -9.020  -5.494
  138    HB2  ARG  20           2HB      ARG  20 -14.151  -7.678  -3.013
  139    HB3  ARG  20           3HB      ARG  20 -14.837  -7.571  -4.631
  140    HG2  ARG  20           2HG      ARG  20 -14.616 -10.128  -2.975
  141    HG3  ARG  20           3HG      ARG  20 -16.046  -9.128  -3.161
  142    HD2  ARG  20           2HD      ARG  20 -16.384 -10.944  -4.591
  143    HD3  ARG  20           3HD      ARG  20 -15.968  -9.591  -5.657
  144    HE   ARG  20           HE       ARG  20 -13.559 -10.937  -5.070
  145   HH11  ARG  20          1HH2      ARG  20 -16.489 -11.831  -6.770
  146   HH12  ARG  20          2HH2      ARG  20 -15.636 -12.958  -7.791
  147   HH21  ARG  20          1HH1      ARG  20 -12.557 -12.306  -6.347
  148   HH22  ARG  20          2HH1      ARG  20 -13.431 -13.246  -7.537
  149    H    SER  21           H        SER  21 -11.323  -7.065  -3.116
  150    HA   SER  21           HA       SER  21 -11.037  -4.716  -4.757
  151    HB2  SER  21           2HB      SER  21  -9.257  -4.053  -3.261
  152    HB3  SER  21           3HB      SER  21 -10.649  -4.647  -2.357
  153    HG   SER  21           HG       SER  21  -9.363  -6.764  -2.404
  154    H    THR  22           H        THR  22  -9.108  -3.966  -5.895
  155    HA   THR  22           HA       THR  22  -7.636  -6.170  -7.252
  156    HB   THR  22           HB       THR  22  -9.194  -4.038  -8.688
  157    HG1  THR  22           1HG      THR  22 -10.631  -5.382  -7.712
  158   HG21  THR  22          1HG2      THR  22  -8.920  -5.414 -10.687
  159   HG22  THR  22          2HG2      THR  22  -7.330  -5.006 -10.031
  160   HG23  THR  22          3HG2      THR  22  -8.021  -6.624  -9.758
  161    H    CYS  23           HN       CYS  23  -5.672  -5.680  -7.945
  162    HA   CYS  23           HA       CYS  23  -4.441  -3.255  -6.987
  163    HB2  CYS  23           2HB      CYS  23  -3.336  -5.352  -6.778
  164    HB3  CYS  23           3HB      CYS  23  -3.594  -5.719  -8.485
  165    H    LYS  24           H        LYS  24  -4.637  -1.406  -8.065
  166    HA   LYS  24           HA       LYS  24  -4.946  -1.222 -10.978
  167    HB2  LYS  24           2HB      LYS  24  -4.670   0.728  -8.686
  168    HB3  LYS  24           3HB      LYS  24  -4.481   1.274 -10.352
  169    HG2  LYS  24           2HG      LYS  24  -6.746   1.656  -9.773
  170    HG3  LYS  24           3HG      LYS  24  -6.704   0.359 -10.946
  171    HD2  LYS  24           2HD      LYS  24  -7.212  -1.302  -9.257
  172    HD3  LYS  24           3HD      LYS  24  -6.885  -0.155  -7.953
  173    HE2  LYS  24           2HE      LYS  24  -9.256  -0.438  -8.115
  174    HE3  LYS  24           3HE      LYS  24  -8.851   1.199  -8.632
  175    HZ1  LYS  24           3HZ      LYS  24  -9.100   0.458 -10.946
  176    HZ2  LYS  24           1HZ      LYS  24  -9.445  -1.072 -10.465
  177    HZ3  LYS  24           2HZ      LYS  24 -10.465   0.149 -10.117
  178    H    GLY  25           H        GLY  25  -2.302  -1.838  -9.015
  179    HA2  GLY  25           2HA      GLY  25  -0.220  -0.540 -10.598
  180    HA3  GLY  25           3HA      GLY  25  -0.019  -1.790  -9.369
  181    H    CYS  26           HN       CYS  26  -1.827  -3.707 -10.733
  182    HA   CYS  26           HA       CYS  26  -0.510  -4.154 -13.348
  183    HB2  CYS  26           2HB      CYS  26   0.162  -6.387 -12.891
  184    HB3  CYS  26           3HB      CYS  26   0.863  -5.327 -11.671
  185    H    MET  27           H        MET  27  -3.480  -4.032 -11.917
  186    HA   MET  27           HA       MET  27  -5.561  -4.625 -12.488
  187    HB2  MET  27           2HB      MET  27  -4.408  -5.279 -15.213
  188    HB3  MET  27           3HB      MET  27  -6.121  -5.218 -14.837
  189    HG2  MET  27           2HG      MET  27  -4.420  -2.783 -14.310
  190    HG3  MET  27           3HG      MET  27  -4.932  -3.201 -15.940
  191    HE1  MET  27           3HE      MET  27  -7.518  -1.371 -12.660
  192    HE2  MET  27           1HE      MET  27  -6.386  -2.685 -12.274
  193    HE3  MET  27           2HE      MET  27  -5.779  -1.155 -12.957
  194    H    GLU  28           H        GLU  28  -4.519  -6.380 -10.831
  195    HA   GLU  28           HA       GLU  28  -5.960  -8.843 -11.632
  196    HB2  GLU  28           2HB      GLU  28  -3.162  -8.894 -10.428
  197    HB3  GLU  28           3HB      GLU  28  -4.280 -10.258 -10.456
  198    HG2  GLU  28           2HG      GLU  28  -4.374 -10.036 -12.984
  199    HG3  GLU  28           3HG      GLU  28  -3.064  -8.856 -12.867
  200    H    LYS  29           H        LYS  29  -6.888  -9.997  -9.831
  201    HA   LYS  29           HA       LYS  29  -7.674  -8.068  -7.806
  202    HB2  LYS  29           2HB      LYS  29  -8.614 -10.925  -8.061
  203    HB3  LYS  29           3HB      LYS  29  -9.173  -9.689  -6.908
  204    HG2  LYS  29           2HG      LYS  29  -9.710  -8.229  -8.921
  205    HG3  LYS  29           3HG      LYS  29  -9.543  -9.675  -9.916
  206    HD2  LYS  29           2HD      LYS  29 -11.334 -10.789  -8.726
  207    HD3  LYS  29           3HD      LYS  29 -11.384  -9.545  -7.472
  208    HE2  LYS  29           2HE      LYS  29 -12.041  -9.030 -10.400
  209    HE3  LYS  29           3HE      LYS  29 -13.245  -9.424  -9.169
  210    HZ1  LYS  29           3HZ      LYS  29 -13.052  -7.022  -9.454
  211    HZ2  LYS  29           1HZ      LYS  29 -12.553  -7.411  -7.941
  212    HZ3  LYS  29           2HZ      LYS  29 -11.458  -7.043  -9.077
  213    H    ILE  30           H        ILE  30  -7.266  -7.905  -5.778
  214    HA   ILE  30           HA       ILE  30  -4.746  -8.974  -4.829
  215    HB   ILE  30           HB       ILE  30  -6.845  -7.080  -3.769
  216   HG12  ILE  30          2HG1      ILE  30  -3.906  -6.608  -4.465
  217   HG13  ILE  30          3HG1      ILE  30  -5.167  -6.545  -5.684
  218   HG21  ILE  30          1HG2      ILE  30  -4.240  -7.726  -2.334
  219   HG22  ILE  30          2HG2      ILE  30  -5.473  -6.513  -1.901
  220   HG23  ILE  30          3HG2      ILE  30  -5.863  -8.218  -1.783
  221   HD11  ILE  30          3HD1      ILE  30  -4.970  -4.710  -3.277
  222   HD12  ILE  30          1HD1      ILE  30  -4.657  -4.324  -4.980
  223   HD13  ILE  30          2HD1      ILE  30  -6.302  -4.727  -4.466
  224    H    GLU  31           H        GLU  31  -4.305 -10.537  -3.316
  225    HA   GLU  31           HA       GLU  31  -6.342 -12.561  -2.942
  226    HB2  GLU  31           2HB      GLU  31  -3.574 -12.494  -1.709
  227    HB3  GLU  31           3HB      GLU  31  -4.637 -13.886  -1.922
  228    HG2  GLU  31           2HG      GLU  31  -4.431 -13.417  -4.458
  229    HG3  GLU  31           3HG      GLU  31  -3.118 -12.306  -4.010
  230    H    LYS  32           H        LYS  32  -7.467 -13.083  -1.153
  231    HA   LYS  32           HA       LYS  32  -7.794 -11.211   1.021
  232    HB2  LYS  32           2HB      LYS  32  -9.581 -12.711   0.140
  233    HB3  LYS  32           3HB      LYS  32  -8.723 -14.106   0.808
  234    HG2  LYS  32           2HG      LYS  32  -8.995 -13.149   3.104
  235    HG3  LYS  32           3HG      LYS  32  -9.850 -11.757   2.408
  236    HD2  LYS  32           2HD      LYS  32 -11.599 -13.288   1.546
  237    HD3  LYS  32           3HD      LYS  32 -10.712 -14.672   2.224
  238    HE2  LYS  32           2HE      LYS  32 -10.953 -13.733   4.500
  239    HE3  LYS  32           3HE      LYS  32 -11.806 -12.330   3.847
  240    HZ1  LYS  32           3HZ      LYS  32 -13.566 -13.830   3.080
  241    HZ2  LYS  32           1HZ      LYS  32 -12.777 -15.134   3.677
  242    HZ3  LYS  32           2HZ      LYS  32 -13.357 -13.994   4.689
  243    H    GLY  33           H        GLY  33  -7.208 -11.322   3.158
  244    HA2  GLY  33           2HA      GLY  33  -6.136 -11.977   5.086
  245    HA3  GLY  33           3HA      GLY  33  -5.837 -13.555   4.359
  246    H    GLN  34           H        GLN  34  -4.499 -11.075   2.443
  247    HA   GLN  34           HA       GLN  34  -1.925 -10.974   3.915
  248    HB2  GLN  34           2HB      GLN  34  -0.626 -11.233   1.896
  249    HB3  GLN  34           3HB      GLN  34  -1.616 -12.643   2.212
  250    HG2  GLN  34           2HG      GLN  34  -1.697 -12.339  -0.131
  251    HG3  GLN  34           3HG      GLN  34  -3.256 -11.811   0.464
  252   HE21  GLN  34          1HE2      GLN  34  -3.905  -9.683  -0.149
  253   HE22  GLN  34          2HE2      GLN  34  -2.721  -8.452  -0.626
  254    H    VAL  35           H        VAL  35  -0.517  -9.099   2.947
  255    HA   VAL  35           HA       VAL  35  -2.019  -6.773   3.624
  256    HB   VAL  35           HB       VAL  35   0.795  -7.071   2.550
  257   HG11  VAL  35          1HG1      VAL  35  -0.537  -4.592   3.734
  258   HG12  VAL  35          2HG1      VAL  35   1.208  -4.795   3.469
  259   HG13  VAL  35          3HG1      VAL  35   0.122  -4.753   2.091
  260   HG21  VAL  35          3HG2      VAL  35  -0.285  -6.542   5.353
  261   HG22  VAL  35          1HG2      VAL  35   0.380  -8.088   4.779
  262   HG23  VAL  35          2HG2      VAL  35   1.421  -6.671   4.886
  263    H    ARG  36           H        ARG  36  -2.754  -5.041   2.555
  264    HA   ARG  36           HA       ARG  36  -2.262  -4.715  -0.340
  265    HB2  ARG  36           2HB      ARG  36  -4.543  -4.141  -0.830
  266    HB3  ARG  36           3HB      ARG  36  -4.429  -5.787  -0.192
  267    HG2  ARG  36           2HG      ARG  36  -5.351  -5.122   1.943
  268    HG3  ARG  36           3HG      ARG  36  -5.296  -3.417   1.501
  269    HD2  ARG  36           2HD      ARG  36  -6.893  -3.857  -0.371
  270    HD3  ARG  36           3HD      ARG  36  -6.993  -5.544   0.142
  271    HE   ARG  36           HE       ARG  36  -7.610  -3.632   2.288
  272   HH11  ARG  36          1HH2      ARG  36  -9.145  -5.228  -0.466
  273   HH12  ARG  36          2HH2      ARG  36 -10.720  -5.039   0.256
  274   HH21  ARG  36          1HH1      ARG  36  -9.549  -3.410   3.051
  275   HH22  ARG  36          2HH1      ARG  36 -10.976  -3.965   2.179
  276    H    LEU  37           H        LEU  37  -2.052  -2.621  -1.011
  277    HA   LEU  37           HA       LEU  37  -2.147  -0.487   1.078
  278    HB2  LEU  37           2HB      LEU  37  -0.309  -0.495  -1.332
  279    HB3  LEU  37           3HB      LEU  37  -0.331   0.589   0.081
  280    HG   LEU  37           HG       LEU  37   1.581  -0.619   0.286
  281   HD11  LEU  37          1HD1      LEU  37  -0.291  -2.103   2.142
  282   HD12  LEU  37          2HD1      LEU  37   1.421  -1.700   2.384
  283   HD13  LEU  37          3HD1      LEU  37   0.204  -0.409   2.307
  284   HD21  LEU  37          3HD2      LEU  37   0.153  -3.300   0.044
  285   HD22  LEU  37          1HD2      LEU  37   1.075  -2.512  -1.254
  286   HD23  LEU  37          2HD2      LEU  37   1.877  -2.985   0.260
  287    H    SER  38           H        SER  38  -2.790   1.638   0.342
  288    HA   SER  38           HA       SER  38  -3.845   1.814  -2.402
  289    HB2  SER  38           2HB      SER  38  -5.937   2.860  -1.710
  290    HB3  SER  38           3HB      SER  38  -5.807   1.211  -1.107
  291    HG   SER  38           HG       SER  38  -6.532   2.551   0.547
  292    H    LYS  39           H        LYS  39  -4.159   3.904  -3.215
  293    HA   LYS  39           HA       LYS  39  -2.986   6.153  -1.615
  294    HB2  LYS  39           2HB      LYS  39  -1.546   5.741  -3.502
  295    HB3  LYS  39           3HB      LYS  39  -2.914   5.789  -4.624
  296    HG2  LYS  39           2HG      LYS  39  -3.265   8.152  -4.237
  297    HG3  LYS  39           3HG      LYS  39  -2.088   8.174  -2.904
  298    HD2  LYS  39           2HD      LYS  39  -0.257   7.727  -4.393
  299    HD3  LYS  39           3HD      LYS  39  -1.367   7.407  -5.743
  300    HE2  LYS  39           2HE      LYS  39  -0.623   9.491  -6.287
  301    HE3  LYS  39           3HE      LYS  39  -2.138   9.863  -5.462
  302    HZ1  LYS  39           3HZ      LYS  39   0.540   9.944  -4.173
  303    HZ2  LYS  39           1HZ      LYS  39  -0.232  11.258  -4.766
  304    HZ3  LYS  39           2HZ      LYS  39  -0.886  10.484  -3.504
  305    H    LYS  40           H        LYS  40  -4.224   7.785  -1.202
  306    HA   LYS  40           HA       LYS  40  -7.011   7.891  -2.221
  307    HB2  LYS  40           2HB      LYS  40  -6.967   7.812   0.090
  308    HB3  LYS  40           3HB      LYS  40  -5.674   8.966   0.245
  309    HG2  LYS  40           2HG      LYS  40  -8.434   9.679  -0.912
  310    HG3  LYS  40           3HG      LYS  40  -8.105   9.676   0.813
  311    HD2  LYS  40           2HD      LYS  40  -6.989  11.574  -1.261
  312    HD3  LYS  40           3HD      LYS  40  -7.964  11.926   0.163
  313    HE2  LYS  40           2HE      LYS  40  -6.116  11.257   1.649
  314    HE3  LYS  40           3HE      LYS  40  -5.134  10.823   0.234
  315    HZ1  LYS  40           3HZ      LYS  40  -6.046  13.595   0.561
  316    HZ2  LYS  40           1HZ      LYS  40  -4.692  13.019   1.300
  317    HZ3  LYS  40           2HZ      LYS  40  -4.757  12.977  -0.307
  318    H    MET  41           H        MET  41  -7.260   9.083  -4.024
  319    HA   MET  41           HA       MET  41  -6.195  11.802  -4.149
  320    HB2  MET  41           2HB      MET  41  -4.925  11.542  -6.226
  321    HB3  MET  41           3HB      MET  41  -4.198  10.616  -4.917
  322    HG2  MET  41           2HG      MET  41  -5.173   8.538  -5.805
  323    HG3  MET  41           3HG      MET  41  -5.996   9.442  -7.080
  324    HE1  MET  41           3HE      MET  41  -4.234   6.897  -7.522
  325    HE2  MET  41           1HE      MET  41  -5.090   7.764  -8.824
  326    HE3  MET  41           2HE      MET  41  -3.369   7.349  -9.012
  327    H    VAL  42           H        VAL  42  -7.398  13.126  -5.671
  328    HA   VAL  42           HA       VAL  42  -9.743  12.189  -6.834
  329    HB   VAL  42           HB       VAL  42  -8.008  14.448  -7.903
  330   HG11  VAL  42          1HG1      VAL  42 -10.973  13.835  -8.296
  331   HG12  VAL  42          2HG1      VAL  42 -10.169  15.346  -8.775
  332   HG13  VAL  42          3HG1      VAL  42  -9.708  13.832  -9.548
  333   HG21  VAL  42          3HG2      VAL  42  -9.497  15.922  -6.584
  334   HG22  VAL  42          1HG2      VAL  42 -10.306  14.502  -5.896
  335   HG23  VAL  42          2HG2      VAL  42  -8.593  14.833  -5.539
  336    H    ASP  43           H        ASP  43 -10.266  11.025  -8.623
  337    HA   ASP  43           HA       ASP  43  -8.251   9.593 -10.076
  338    HB2  ASP  43           2HB      ASP  43 -10.517   8.739  -9.524
  339    HB3  ASP  43           3HB      ASP  43 -11.228   9.916 -10.618
  340    HA   PRO  44           HA       PRO  44  -7.593  12.956 -12.947
  341    HB2  PRO  44           2HB      PRO  44  -5.579  11.903 -14.486
  342    HB3  PRO  44           3HB      PRO  44  -5.345  12.348 -12.767
  343    HG2  PRO  44           2HG      PRO  44  -5.997   9.597 -13.897
  344    HG3  PRO  44           3HG      PRO  44  -4.686  10.036 -12.748
  345    HD2  PRO  44           2HD      PRO  44  -7.062   9.039 -11.910
  346    HD3  PRO  44           3HD      PRO  44  -6.202  10.307 -10.981
  347    H    GLU  45           H        GLU  45  -8.902   9.912 -13.915
  348    HA   GLU  45           HA       GLU  45  -9.489  10.880 -16.695
  349    HB2  GLU  45           2HB      GLU  45  -9.898   8.145 -15.425
  350    HB3  GLU  45           3HB      GLU  45 -10.351   8.605 -17.069
  351    HG2  GLU  45           2HG      GLU  45  -7.949   9.158 -17.545
  352    HG3  GLU  45           3HG      GLU  45  -7.517   8.544 -15.947
  353    H    LYS  46           H        LYS  46 -10.808  10.572 -13.546
  354    HA   LYS  46           HA       LYS  46 -13.478  11.589 -14.463
  355    HB2  LYS  46           2HB      LYS  46 -12.936   9.499 -12.324
  356    HB3  LYS  46           3HB      LYS  46 -14.510  10.229 -12.644
  357    HG2  LYS  46           2HG      LYS  46 -14.648   9.225 -14.830
  358    HG3  LYS  46           3HG      LYS  46 -13.014   8.568 -14.715
  359    HD2  LYS  46           2HD      LYS  46 -15.312   7.895 -12.837
  360    HD3  LYS  46           3HD      LYS  46 -14.808   6.886 -14.204
  361    HE2  LYS  46           2HE      LYS  46 -13.201   7.538 -11.696
  362    HE3  LYS  46           3HE      LYS  46 -13.917   5.982 -12.100
  363    HZ1  LYS  46           3HZ      LYS  46 -11.465   6.256 -12.548
  364    HZ2  LYS  46           1HZ      LYS  46 -12.323   5.709 -13.858
  365    HZ3  LYS  46           2HZ      LYS  46 -11.804   7.271 -13.742
  366    HA   PRO  47           HA       PRO  47 -11.376  14.059 -11.113
  367    HB2  PRO  47           2HB      PRO  47 -11.923  16.454 -12.809
  368    HB3  PRO  47           3HB      PRO  47 -10.429  15.983 -11.924
  369    HG2  PRO  47           2HG      PRO  47 -10.578  15.726 -14.626
  370    HG3  PRO  47           3HG      PRO  47  -9.780  14.474 -13.617
  371    HD2  PRO  47           2HD      PRO  47 -12.616  14.471 -14.701
  372    HD3  PRO  47           3HD      PRO  47 -11.370  13.202 -14.806
  373    H    GLN  48           H        GLN  48 -14.494  13.871 -12.304
  374    HA   GLN  48           HA       GLN  48 -15.771  15.931 -10.606
  375    HB2  GLN  48           2HB      GLN  48 -16.884  13.783 -12.464
  376    HB3  GLN  48           3HB      GLN  48 -17.856  14.959 -11.569
  377    HG2  GLN  48           2HG      GLN  48 -16.700  16.825 -12.751
  378    HG3  GLN  48           3HG      GLN  48 -15.779  15.655 -13.697
  379   HE21  GLN  48          2HE2      GLN  48 -17.066  17.325 -15.273
  380   HE22  GLN  48          1HE2      GLN  48 -18.550  16.621 -15.904
  381    H    LEU  49           H        LEU  49 -14.811  12.536 -10.421
  382    HA   LEU  49           HA       LEU  49 -16.772  11.607  -8.593
  383    HB2  LEU  49           2HB      LEU  49 -15.434  10.366 -10.267
  384    HB3  LEU  49           3HB      LEU  49 -13.946  10.804  -9.413
  385    HG   LEU  49           HG       LEU  49 -14.502   9.442  -7.545
  386   HD11  LEU  49          1HD1      LEU  49 -17.088   8.860  -9.056
  387   HD12  LEU  49          2HD1      LEU  49 -16.508   7.907  -7.660
  388   HD13  LEU  49          3HD1      LEU  49 -16.932   9.612  -7.450
  389   HD21  LEU  49          3HD2      LEU  49 -14.944   8.068 -10.226
  390   HD22  LEU  49          1HD2      LEU  49 -13.372   8.507  -9.516
  391   HD23  LEU  49          2HD2      LEU  49 -14.382   7.265  -8.735
  392    H    GLY  50           H        GLY  50 -13.861  13.496  -8.161
  393    HA2  GLY  50           2HA      GLY  50 -12.790  14.295  -6.257
  394    HA3  GLY  50           3HA      GLY  50 -13.995  13.501  -5.242
  395    H    MET  51           H        MET  51 -12.120  12.966  -3.977
  396    HA   MET  51           HA       MET  51  -9.947  11.455  -4.837
  397    HB2  MET  51           2HB      MET  51 -10.831  11.555  -1.955
  398    HB3  MET  51           3HB      MET  51  -9.204  11.469  -2.635
  399    HG2  MET  51           2HG      MET  51  -9.874  13.826  -3.690
  400    HG3  MET  51           3HG      MET  51 -11.087  13.820  -2.415
  401    HE1  MET  51           3HE      MET  51  -7.390  13.071  -3.111
  402    HE2  MET  51           1HE      MET  51  -7.585  14.798  -3.456
  403    HE3  MET  51           2HE      MET  51  -6.541  14.281  -2.113
  404    H    ILE  52           H        ILE  52  -9.688   9.408  -5.278
  405    HA   ILE  52           HA       ILE  52 -11.646   7.409  -4.306
  406    HB   ILE  52           HB       ILE  52 -10.770   5.933  -6.101
  407   HG12  ILE  52          2HG1      ILE  52  -9.540   8.355  -7.440
  408   HG13  ILE  52          3HG1      ILE  52  -8.566   7.318  -6.396
  409   HG21  ILE  52          1HG2      ILE  52 -11.999   8.540  -7.062
  410   HG22  ILE  52          2HG2      ILE  52 -12.059   6.963  -7.879
  411   HG23  ILE  52          3HG2      ILE  52 -12.845   7.161  -6.301
  412   HD11  ILE  52          3HD1      ILE  52 -10.124   6.282  -8.793
  413   HD12  ILE  52          1HD1      ILE  52  -8.400   6.679  -8.776
  414   HD13  ILE  52          2HD1      ILE  52  -9.022   5.366  -7.744
  415    H    ASP  53           H        ASP  53 -10.899   5.324  -3.819
  416    HA   ASP  53           HA       ASP  53  -8.233   5.257  -2.411
  417    HB2  ASP  53           2HB      ASP  53 -10.759   3.625  -1.934
  418    HB3  ASP  53           3HB      ASP  53  -9.205   3.354  -1.144
  419    H    ARG  54           H        ARG  54  -7.036   4.852  -4.232
  420    HA   ARG  54           HA       ARG  54  -7.688   2.623  -6.051
  421    HB2  ARG  54           2HB      ARG  54  -6.616   5.049  -6.461
  422    HB3  ARG  54           3HB      ARG  54  -5.109   4.173  -6.171
  423    HG2  ARG  54           2HG      ARG  54  -5.452   2.759  -8.044
  424    HG3  ARG  54           3HG      ARG  54  -7.171   3.231  -8.185
  425    HD2  ARG  54           2HD      ARG  54  -6.517   5.534  -8.731
  426    HD3  ARG  54           3HD      ARG  54  -4.815   5.097  -8.615
  427    HE   ARG  54           HE       ARG  54  -6.718   4.373 -10.765
  428   HH11  ARG  54          1HH2      ARG  54  -3.403   3.966  -9.617
  429   HH12  ARG  54          2HH2      ARG  54  -2.815   3.688 -11.232
  430   HH21  ARG  54          1HH1      ARG  54  -5.878   3.901 -12.755
  431   HH22  ARG  54          2HH1      ARG  54  -4.182   3.567 -12.927
  432    H    TRP  55           H        TRP  55  -7.155   0.559  -5.505
  433    HA   TRP  55           HA       TRP  55  -5.136   0.088  -3.420
  434    HB2  TRP  55           2HB      TRP  55  -7.127  -1.770  -4.735
  435    HB3  TRP  55           3HB      TRP  55  -5.991  -2.243  -3.482
  436    HD1  TRP  55           HD1      TRP  55  -9.292  -0.506  -3.970
  437    HE1  TRP  55           HE1      TRP  55 -10.349   0.076  -1.710
  438    HE3  TRP  55           HE3      TRP  55  -5.327  -1.603  -0.905
  439    HZ2  TRP  55           HZ2      TRP  55  -9.557   0.138   1.066
  440    HZ3  TRP  55           HZ3      TRP  55  -5.477  -1.154   1.535
  441    HH2  TRP  55           HH2      TRP  55  -7.590  -0.325   2.533
  442    H    TYR  56           H        TYR  56  -3.520  -1.458  -3.519
  443    HA   TYR  56           HA       TYR  56  -2.392  -2.392  -6.086
  444    HB2  TYR  56           2HB      TYR  56  -0.913  -0.731  -4.003
  445    HB3  TYR  56           3HB      TYR  56  -0.234  -1.377  -5.492
  446    HD1  TYR  56           HD2      TYR  56  -1.051  -0.485  -7.702
  447    HD2  TYR  56           HD1      TYR  56  -2.089   1.370  -3.974
  448    HE1  TYR  56           HE2      TYR  56  -1.782   1.569  -8.938
  449    HE2  TYR  56           HE1      TYR  56  -2.838   3.406  -5.195
  450    HH   TYR  56           HH       TYR  56  -2.972   4.454  -7.191
  451    H    HIS  57           H        HIS  57  -0.843  -4.039  -5.835
  452    HA   HIS  57           HA       HIS  57  -0.916  -5.751  -3.461
  453    HB2  HIS  57           2HB      HIS  57   0.861  -5.846  -5.899
  454    HB3  HIS  57           3HB      HIS  57   0.962  -7.000  -4.605
  455    HD2  HIS  57           HD2      HIS  57  -1.458  -8.383  -4.036
  456    HE1  HIS  57           HE1      HIS  57  -2.660  -8.366  -8.117
  457    HE2  HIS  57           HE2      HIS  57  -3.001  -9.485  -5.876
  458    HA   PRO  58           HA       PRO  58   2.760  -4.204  -1.257
  459    HB2  PRO  58           2HB      PRO  58   3.573  -7.105  -1.134
  460    HB3  PRO  58           3HB      PRO  58   3.556  -5.876   0.175
  461    HG2  PRO  58           2HG      PRO  58   1.559  -7.684   0.032
  462    HG3  PRO  58           3HG      PRO  58   1.162  -5.953   0.304
  463    HD2  PRO  58           2HD      PRO  58   1.097  -7.499  -2.303
  464    HD3  PRO  58           3HD      PRO  58  -0.146  -6.420  -1.601
  465    H    GLY  59           H        GLY  59   3.262  -6.371  -4.014
  466    HA2  GLY  59           2HA      GLY  59   6.074  -5.536  -4.400
  467    HA3  GLY  59           3HA      GLY  59   5.088  -6.512  -5.494
  468    H    CYS  60           HN       CYS  60   2.914  -4.943  -6.019
  469    HA   CYS  60           HA       CYS  60   3.977  -3.327  -8.019
  470    HB2  CYS  60           2HB      CYS  60   1.110  -3.426  -7.028
  471    HB3  CYS  60           3HB      CYS  60   1.661  -2.951  -8.643
  472    H    PHE  61           H        PHE  61   2.451  -2.314  -4.919
  473    HA   PHE  61           HA       PHE  61   2.298   0.442  -5.615
  474    HB2  PHE  61           2HB      PHE  61   1.554   0.780  -3.542
  475    HB3  PHE  61           3HB      PHE  61   1.428  -0.971  -3.509
  476    HD1  PHE  61           HD1      PHE  61   3.275  -2.311  -2.463
  477    HD2  PHE  61           HD2      PHE  61   3.136   1.962  -2.182
  478    HE1  PHE  61           HE1      PHE  61   4.726  -2.416  -0.429
  479    HE2  PHE  61           HE2      PHE  61   4.603   1.882  -0.151
  480    HZ   PHE  61           HZ       PHE  61   5.377  -0.309   0.732
  481    H    VAL  62           H        VAL  62   5.038  -1.451  -4.361
  482    HA   VAL  62           HA       VAL  62   6.887   0.776  -4.247
  483    HB   VAL  62           HB       VAL  62   7.553  -2.165  -4.584
  484   HG11  VAL  62          1HG1      VAL  62   9.209   0.190  -3.569
  485   HG12  VAL  62          2HG1      VAL  62   9.704  -1.513  -3.532
  486   HG13  VAL  62          3HG1      VAL  62   9.477  -0.708  -5.083
  487   HG21  VAL  62          3HG2      VAL  62   7.115  -0.450  -2.100
  488   HG22  VAL  62          1HG2      VAL  62   6.233  -1.915  -2.591
  489   HG23  VAL  62          2HG2      VAL  62   7.902  -2.038  -2.083
  490    H    LYS  63           H        LYS  63   6.025  -1.516  -6.857
  491    HA   LYS  63           HA       LYS  63   7.989  -0.668  -8.740
  492    HB2  LYS  63           2HB      LYS  63   6.676  -2.734  -8.966
  493    HB3  LYS  63           3HB      LYS  63   5.190  -1.802  -9.138
  494    HG2  LYS  63           2HG      LYS  63   5.998  -0.848 -11.276
  495    HG3  LYS  63           3HG      LYS  63   7.493  -1.774 -11.108
  496    HD2  LYS  63           2HD      LYS  63   5.953  -2.890 -12.644
  497    HD3  LYS  63           3HD      LYS  63   6.240  -3.878 -11.219
  498    HE2  LYS  63           2HE      LYS  63   3.912  -4.005 -11.878
  499    HE3  LYS  63           3HE      LYS  63   4.036  -3.262 -10.289
  500    HZ1  LYS  63           3HZ      LYS  63   3.769  -1.659 -12.778
  501    HZ2  LYS  63           1HZ      LYS  63   2.478  -2.166 -11.922
  502    HZ3  LYS  63           2HZ      LYS  63   3.522  -1.137 -11.231
  503    H    ASN  64           H        ASN  64   4.767   0.696  -8.044
  504    HA   ASN  64           HA       ASN  64   5.333   2.969  -9.887
  505    HB2  ASN  64           2HB      ASN  64   2.697   3.292  -9.277
  506    HB3  ASN  64           3HB      ASN  64   3.375   2.597 -10.724
  507   HD21  ASN  64          1HD2      ASN  64   1.770   1.815  -7.646
  508   HD22  ASN  64          2HD2      ASN  64   1.305   0.214  -8.216
  509    H    ARG  65           H        ARG  65   6.309   2.519  -6.927
  510    HA   ARG  65           HA       ARG  65   5.219   4.370  -5.230
  511    HB2  ARG  65           2HB      ARG  65   7.342   4.396  -4.098
  512    HB3  ARG  65           3HB      ARG  65   7.135   2.810  -4.795
  513    HG2  ARG  65           2HG      ARG  65   8.556   3.617  -6.782
  514    HG3  ARG  65           3HG      ARG  65   8.893   5.077  -5.834
  515    HD2  ARG  65           2HD      ARG  65   9.950   3.810  -4.104
  516    HD3  ARG  65           3HD      ARG  65   9.492   2.269  -4.848
  517    HE   ARG  65           HE       ARG  65  11.723   4.004  -5.564
  518   HH11  ARG  65          1HH2      ARG  65   9.637   1.496  -6.906
  519   HH12  ARG  65          2HH2      ARG  65  10.842   1.036  -8.081
  520   HH21  ARG  65          1HH1      ARG  65  13.170   3.357  -7.105
  521   HH22  ARG  65          2HH1      ARG  65  12.769   2.065  -8.195
  522    H    GLU  66           H        GLU  66   7.315   5.114  -7.946
  523    HA   GLU  66           HA       GLU  66   7.596   7.924  -7.274
  524    HB2  GLU  66           2HB      GLU  66   8.879   8.036  -9.370
  525    HB3  GLU  66           3HB      GLU  66   9.432   6.774  -8.261
  526    HG2  GLU  66           2HG      GLU  66   8.355   5.035  -9.590
  527    HG3  GLU  66           3HG      GLU  66   7.635   6.241 -10.663
  528    H    GLU  67           H        GLU  67   5.299   6.073  -9.100
  529    HA   GLU  67           HA       GLU  67   4.012   8.413 -10.332
  530    HB2  GLU  67           2HB      GLU  67   3.998   6.195 -11.440
  531    HB3  GLU  67           3HB      GLU  67   3.038   5.549 -10.104
  532    HG2  GLU  67           2HG      GLU  67   1.215   7.117 -10.608
  533    HG3  GLU  67           3HG      GLU  67   2.191   7.884 -11.865
  534    H    LEU  68           H        LEU  68   3.560   6.196  -7.543
  535    HA   LEU  68           HA       LEU  68   1.263   7.576  -6.460
  536    HB2  LEU  68           2HB      LEU  68   3.270   5.736  -5.114
  537    HB3  LEU  68           3HB      LEU  68   1.715   6.214  -4.444
  538    HG   LEU  68           HG       LEU  68   2.187   4.464  -6.892
  539   HD11  LEU  68          1HD1      LEU  68   1.110   2.731  -5.519
  540   HD12  LEU  68          2HD1      LEU  68   2.576   3.356  -4.739
  541   HD13  LEU  68          3HD1      LEU  68   0.972   3.873  -4.169
  542   HD21  LEU  68          3HD2      LEU  68  -0.485   5.214  -5.683
  543   HD22  LEU  68          1HD2      LEU  68   0.147   5.839  -7.234
  544   HD23  LEU  68          2HD2      LEU  68  -0.165   4.122  -7.046
  545    H    GLY  69           H        GLY  69   4.692   8.277  -6.209
  546    HA2  GLY  69           2HA      GLY  69   5.377  10.521  -5.847
  547    HA3  GLY  69           3HA      GLY  69   3.949  10.833  -4.866
  548    H    PHE  70           H        PHE  70   5.859   7.952  -4.227
  549    HA   PHE  70           HA       PHE  70   6.405   8.668  -1.496
  550    HB2  PHE  70           2HB      PHE  70   7.317   6.448  -3.331
  551    HB3  PHE  70           3HB      PHE  70   7.998   6.625  -1.731
  552    HD1  PHE  70           HD1      PHE  70   4.783   6.012  -3.525
  553    HD2  PHE  70           HD2      PHE  70   6.862   5.941   0.237
  554    HE1  PHE  70           HE1      PHE  70   2.944   4.666  -2.539
  555    HE2  PHE  70           HE2      PHE  70   5.024   4.605   1.231
  556    HZ   PHE  70           HZ       PHE  70   3.075   3.947  -0.170
  557    H    ARG  71           H        ARG  71   8.158   9.311  -0.476
  558    HA   ARG  71           HA       ARG  71  10.819   9.562  -1.758
  559    HB2  ARG  71           2HB      ARG  71   9.473  11.631   0.025
  560    HB3  ARG  71           3HB      ARG  71  11.177  11.661  -0.402
  561    HG2  ARG  71           2HG      ARG  71  10.654  12.078  -2.756
  562    HG3  ARG  71           3HG      ARG  71   8.907  11.984  -2.407
  563    HD2  ARG  71           2HD      ARG  71   9.174  13.774  -0.702
  564    HD3  ARG  71           3HD      ARG  71  10.889  13.916  -1.125
  565    HE   ARG  71           HE       ARG  71   9.389  14.298  -3.499
  566   HH11  ARG  71          1HH2      ARG  71   9.897  15.946  -0.423
  567   HH12  ARG  71          2HH2      ARG  71   9.561  17.515  -1.119
  568   HH21  ARG  71          1HH1      ARG  71   8.963  16.344  -4.300
  569   HH22  ARG  71          2HH1      ARG  71   9.050  17.728  -3.251
  570    HA   PRO  72           HA       PRO  72  12.139   7.622   2.067
  571    HB2  PRO  72           2HB      PRO  72  14.190   9.828   2.329
  572    HB3  PRO  72           3HB      PRO  72  14.412   8.057   2.495
  573    HG2  PRO  72           2HG      PRO  72  15.153   9.292   0.209
  574    HG3  PRO  72           3HG      PRO  72  14.237   7.750   0.117
  575    HD2  PRO  72           2HD      PRO  72  13.177  10.580  -0.161
  576    HD3  PRO  72           3HD      PRO  72  12.855   9.152  -1.188
  577    H    GLU  73           H        GLU  73  11.554  11.151   2.207
  578    HA   GLU  73           HA       GLU  73  11.279  11.252   5.079
  579    HB2  GLU  73           2HB      GLU  73  10.378  13.468   4.742
  580    HB3  GLU  73           3HB      GLU  73  11.802  13.233   3.728
  581    HG2  GLU  73           2HG      GLU  73  10.338  12.819   1.767
  582    HG3  GLU  73           3HG      GLU  73   8.909  13.086   2.765
  583    H    TYR  74           H        TYR  74   9.169   9.980   2.687
  584    HA   TYR  74           HA       TYR  74   7.281   9.251   4.751
  585    HB2  TYR  74           2HB      TYR  74   5.286   9.898   3.261
  586    HB3  TYR  74           3HB      TYR  74   6.015  11.035   4.366
  587    HD1  TYR  74           HD1      TYR  74   6.941  10.072   0.838
  588    HD2  TYR  74           HD2      TYR  74   5.734  13.181   3.560
  589    HE1  TYR  74           HE1      TYR  74   7.057  11.730  -1.011
  590    HE2  TYR  74           HE2      TYR  74   5.853  14.846   1.709
  591    HH   TYR  74           HH       TYR  74   6.684  13.904  -1.645
  592    H    SER  75           H        SER  75   8.711   7.536   4.171
  593    HA   SER  75           HA       SER  75   8.380   5.803   1.911
  594    HB2  SER  75           2HB      SER  75   9.756   4.354   3.193
  595    HB3  SER  75           3HB      SER  75  10.297   5.994   3.530
  596    HG   SER  75           HG       SER  75   8.885   5.876   5.460
  597    H    ALA  76           H        ALA  76   7.995   3.285   2.919
  598    HA   ALA  76           HA       ALA  76   5.191   2.903   3.189
  599    HB1  ALA  76           1HB      ALA  76   7.514   1.111   4.028
  600    HB2  ALA  76           2HB      ALA  76   5.827   0.616   3.771
  601    HB3  ALA  76           3HB      ALA  76   6.796   1.188   2.399
  602    H    SER  77           H        SER  77   7.569   3.783   5.675
  603    HA   SER  77           HA       SER  77   5.988   2.931   7.945
  604    HB2  SER  77           2HB      SER  77   8.177   5.031   7.710
  605    HB3  SER  77           3HB      SER  77   7.489   4.431   9.229
  606    HG   SER  77           HG       SER  77   9.449   3.368   8.602
  607    H    GLN  78           H        GLN  78   5.520   5.503   5.682
  608    HA   GLN  78           HA       GLN  78   3.780   6.979   7.521
  609    HB2  GLN  78           2HB      GLN  78   5.340   7.841   5.059
  610    HB3  GLN  78           3HB      GLN  78   4.118   8.825   5.836
  611    HG2  GLN  78           2HG      GLN  78   6.069   9.649   6.795
  612    HG3  GLN  78           3HG      GLN  78   5.416   8.582   8.026
  613   HE21  GLN  78          2HE2      GLN  78   7.662   8.734   8.918
  614   HE22  GLN  78          1HE2      GLN  78   8.877   7.669   8.231
  615    H    LEU  79           H        LEU  79   3.087   4.480   6.167
  616    HA   LEU  79           HA       LEU  79   0.741   5.329   4.544
  617    HB2  LEU  79           2HB      LEU  79   1.931   2.637   5.337
  618    HB3  LEU  79           3HB      LEU  79   0.352   2.774   4.590
  619    HG   LEU  79           HG       LEU  79   2.769   3.902   3.148
  620   HD11  LEU  79          1HD1      LEU  79   1.886   0.991   2.989
  621   HD12  LEU  79          2HD1      LEU  79   3.142   1.783   2.024
  622   HD13  LEU  79          3HD1      LEU  79   3.365   1.544   3.764
  623   HD21  LEU  79          3HD2      LEU  79   0.290   2.465   2.119
  624   HD22  LEU  79          1HD2      LEU  79   0.356   4.206   2.402
  625   HD23  LEU  79          2HD2      LEU  79   1.426   3.466   1.203
  626    H    LYS  80           H        LYS  80  -1.265   5.462   5.432
  627    HA   LYS  80           HA       LYS  80  -1.748   5.414   8.237
  628    HB2  LYS  80           2HB      LYS  80  -3.824   4.914   6.060
  629    HB3  LYS  80           3HB      LYS  80  -4.144   5.374   7.732
  630    HG2  LYS  80           2HG      LYS  80  -2.824   7.477   7.326
  631    HG3  LYS  80           3HG      LYS  80  -2.782   7.047   5.600
  632    HD2  LYS  80           2HD      LYS  80  -5.269   7.562   7.302
  633    HD3  LYS  80           3HD      LYS  80  -4.558   8.692   6.145
  634    HE2  LYS  80           2HE      LYS  80  -5.015   7.111   4.292
  635    HE3  LYS  80           3HE      LYS  80  -5.713   5.957   5.441
  636    HZ1  LYS  80           3HZ      LYS  80  -7.443   7.282   4.373
  637    HZ2  LYS  80           1HZ      LYS  80  -7.423   7.604   5.971
  638    HZ3  LYS  80           2HZ      LYS  80  -6.790   8.678   4.916
  639    H    GLY  81           H        GLY  81  -2.205   3.863   9.683
  640    HA2  GLY  81           2HA      GLY  81  -2.889   1.862  10.596
  641    HA3  GLY  81           3HA      GLY  81  -3.458   1.318   9.013
  642    H    PHE  82           H        PHE  82  -0.169   2.266   8.742
  643    HA   PHE  82           HA       PHE  82   0.779  -0.362   8.140
  644    HB2  PHE  82           2HB      PHE  82   1.911   1.481   7.198
  645    HB3  PHE  82           3HB      PHE  82   2.045   2.321   8.738
  646    HD1  PHE  82           HD2      PHE  82   3.745   1.833  10.352
  647    HD2  PHE  82           HD1      PHE  82   3.599  -0.277   6.591
  648    HE1  PHE  82           HE2      PHE  82   6.056   0.990  10.731
  649    HE2  PHE  82           HE1      PHE  82   5.913  -1.079   6.963
  650    HZ   PHE  82           HZ       PHE  82   7.124  -0.486   9.035
  651    H    SER  83           H        SER  83   0.885   1.595  11.142
  652    HA   SER  83           HA       SER  83   2.670  -0.114  12.573
  653    HB2  SER  83           2HB      SER  83   1.924   1.110  14.552
  654    HB3  SER  83           3HB      SER  83   2.172   2.220  13.187
  655    HG   SER  83           HG       SER  83   0.007   2.360  12.869
  656    H    LEU  84           H        LEU  84  -0.683  -0.545  11.834
  657    HA   LEU  84           HA       LEU  84  -1.275  -2.364  14.063
  658    HB2  LEU  84           2HB      LEU  84  -2.961  -1.591  11.655
  659    HB3  LEU  84           3HB      LEU  84  -3.522  -2.380  13.122
  660    HG   LEU  84           HG       LEU  84  -2.473   0.482  12.921
  661   HD11  LEU  84          1HD1      LEU  84  -5.270  -0.607  13.426
  662   HD12  LEU  84          2HD1      LEU  84  -4.792   1.106  13.392
  663   HD13  LEU  84          3HD1      LEU  84  -4.695   0.134  11.914
  664   HD21  LEU  84          3HD2      LEU  84  -3.611  -1.034  15.314
  665   HD22  LEU  84          1HD2      LEU  84  -1.946  -0.430  15.141
  666   HD23  LEU  84          2HD2      LEU  84  -3.285   0.714  15.257
  667    H    LEU  85           H        LEU  85   0.133  -2.763  10.973
  668    HA   LEU  85           HA       LEU  85  -0.789  -5.481  10.411
  669    HB2  LEU  85           2HB      LEU  85   1.420  -3.677   9.401
  670    HB3  LEU  85           3HB      LEU  85   1.467  -5.387   9.041
  671    HG   LEU  85           HG       LEU  85  -0.634  -5.305   7.848
  672   HD11  LEU  85          1HD1      LEU  85  -0.668  -2.325   8.447
  673   HD12  LEU  85          2HD1      LEU  85  -1.718  -3.149   7.278
  674   HD13  LEU  85          3HD1      LEU  85  -1.864  -3.520   8.998
  675   HD21  LEU  85          3HD2      LEU  85   0.119  -3.918   5.957
  676   HD22  LEU  85          1HD2      LEU  85   1.269  -3.072   7.014
  677   HD23  LEU  85          2HD2      LEU  85   1.479  -4.801   6.667
  678    H    ALA  86           H        ALA  86   0.732  -7.342  10.421
  679    HA   ALA  86           HA       ALA  86   2.019  -7.838  12.927
  680    HB1  ALA  86           1HB      ALA  86   2.213  -9.246  10.226
  681    HB2  ALA  86           2HB      ALA  86   2.783  -9.910  11.776
  682    HB3  ALA  86           3HB      ALA  86   1.053  -9.607  11.520
  683    H    THR  87           H        THR  87   4.216  -7.940  13.482
  684    HA   THR  87           HA       THR  87   5.913  -5.919  12.590
  685    HB   THR  87           HB       THR  87   6.819  -8.535  13.829
  686    HG1  THR  87           1HG      THR  87   6.341  -7.532  15.795
  687   HG21  THR  87          1HG2      THR  87   8.691  -7.032  13.236
  688   HG22  THR  87          2HG2      THR  87   7.889  -5.679  14.064
  689   HG23  THR  87          3HG2      THR  87   8.481  -7.078  14.989
  690    H    GLU  88           H        GLU  88   5.888  -9.340  11.514
  691    HA   GLU  88           HA       GLU  88   8.215  -9.144   9.859
  692    HB2  GLU  88           2HB      GLU  88   7.509 -11.242   8.900
  693    HB3  GLU  88           3HB      GLU  88   7.328 -11.266  10.652
  694    HG2  GLU  88           2HG      GLU  88   4.861 -10.828  10.362
  695    HG3  GLU  88           3HG      GLU  88   5.082 -10.927   8.613
  696    H    ASP  89           H        ASP  89   4.835  -8.221   9.191
  697    HA   ASP  89           HA       ASP  89   5.388  -7.792   6.323
  698    HB2  ASP  89           2HB      ASP  89   2.999  -7.163   8.089
  699    HB3  ASP  89           3HB      ASP  89   3.118  -6.710   6.393
  700    H    LYS  90           H        LYS  90   5.086  -5.795   9.276
  701    HA   LYS  90           HA       LYS  90   5.443  -3.227   8.056
  702    HB2  LYS  90           2HB      LYS  90   6.098  -4.314  10.826
  703    HB3  LYS  90           3HB      LYS  90   6.317  -2.610  10.398
  704    HG2  LYS  90           2HG      LYS  90   4.038  -2.249  10.009
  705    HG3  LYS  90           3HG      LYS  90   3.664  -3.970   9.905
  706    HD2  LYS  90           2HD      LYS  90   2.807  -3.061  11.964
  707    HD3  LYS  90           3HD      LYS  90   4.044  -4.284  12.279
  708    HE2  LYS  90           2HE      LYS  90   5.688  -2.500  12.769
  709    HE3  LYS  90           3HE      LYS  90   4.475  -1.270  12.388
  710    HZ1  LYS  90           3HZ      LYS  90   4.566  -1.668  14.787
  711    HZ2  LYS  90           1HZ      LYS  90   3.107  -2.185  14.231
  712    HZ3  LYS  90           2HZ      LYS  90   4.280  -3.263  14.593
  713    H    GLU  91           H        GLU  91   7.879  -5.501   9.341
  714    HA   GLU  91           HA       GLU  91  10.154  -3.900   8.547
  715    HB2  GLU  91           2HB      GLU  91   9.850  -6.865   9.161
  716    HB3  GLU  91           3HB      GLU  91  11.401  -6.085   8.846
  717    HG2  GLU  91           2HG      GLU  91   9.515  -5.235  11.080
  718    HG3  GLU  91           3HG      GLU  91  10.826  -6.390  11.279
  719    H    ALA  92           H        ALA  92   8.366  -6.534   6.850
  720    HA   ALA  92           HA       ALA  92  10.148  -6.636   4.611
  721    HB1  ALA  92           1HB      ALA  92   8.551  -8.403   5.096
  722    HB2  ALA  92           2HB      ALA  92   7.189  -7.296   4.786
  723    HB3  ALA  92           3HB      ALA  92   8.288  -7.757   3.465
  724    H    LEU  93           H        LEU  93   7.193  -4.634   5.107
  725    HA   LEU  93           HA       LEU  93   7.222  -3.369   2.537
  726    HB2  LEU  93           2HB      LEU  93   6.176  -2.546   5.268
  727    HB3  LEU  93           3HB      LEU  93   5.912  -1.578   3.824
  728    HG   LEU  93           HG       LEU  93   4.944  -4.452   4.082
  729   HD11  LEU  93          1HD1      LEU  93   3.462  -1.817   4.485
  730   HD12  LEU  93          2HD1      LEU  93   2.735  -3.437   4.498
  731   HD13  LEU  93          3HD1      LEU  93   3.883  -2.985   5.761
  732   HD21  LEU  93          3HD2      LEU  93   5.190  -3.695   1.753
  733   HD22  LEU  93          1HD2      LEU  93   3.485  -3.838   2.199
  734   HD23  LEU  93          2HD2      LEU  93   4.242  -2.233   2.123
  735    H    LYS  94           H        LYS  94   8.752  -2.404   5.644
  736    HA   LYS  94           HA       LYS  94  10.086  -0.053   4.658
  737    HB2  LYS  94           2HB      LYS  94  10.656  -2.006   6.925
  738    HB3  LYS  94           3HB      LYS  94  11.694  -0.616   6.589
  739    HG2  LYS  94           2HG      LYS  94   9.971   0.955   7.061
  740    HG3  LYS  94           3HG      LYS  94   8.711  -0.283   7.053
  741    HD2  LYS  94           2HD      LYS  94   9.249   0.407   9.349
  742    HD3  LYS  94           3HD      LYS  94   9.602  -1.306   9.077
  743    HE2  LYS  94           2HE      LYS  94  12.027  -0.669   8.722
  744    HE3  LYS  94           3HE      LYS  94  11.608   0.990   9.183
  745    HZ1  LYS  94           3HZ      LYS  94  10.848   0.066  11.342
  746    HZ2  LYS  94           1HZ      LYS  94  11.287  -1.446  10.869
  747    HZ3  LYS  94           2HZ      LYS  94  12.425  -0.294  11.085
  748    H    LYS  95           H        LYS  95  11.122  -3.475   4.798
  749    HA   LYS  95           HA       LYS  95  13.719  -2.972   3.765
  750    HB2  LYS  95           2HB      LYS  95  12.049  -5.483   3.957
  751    HB3  LYS  95           3HB      LYS  95  13.589  -5.509   3.094
  752    HG2  LYS  95           2HG      LYS  95  14.774  -4.617   5.057
  753    HG3  LYS  95           3HG      LYS  95  13.283  -4.598   5.991
  754    HD2  LYS  95           2HD      LYS  95  14.624  -7.075   4.812
  755    HD3  LYS  95           3HD      LYS  95  14.722  -6.544   6.498
  756    HE2  LYS  95           2HE      LYS  95  12.241  -6.776   6.698
  757    HE3  LYS  95           3HE      LYS  95  12.180  -7.387   5.038
  758    HZ1  LYS  95           3HZ      LYS  95  13.652  -8.687   7.270
  759    HZ2  LYS  95           1HZ      LYS  95  12.244  -9.216   6.635
  760    HZ3  LYS  95           2HZ      LYS  95  13.604  -9.241   5.735
  761    H    GLN  96           H        GLN  96  10.732  -3.233   2.012
  762    HA   GLN  96           HA       GLN  96  12.060  -3.331  -0.634
  763    HB2  GLN  96           2HB      GLN  96   9.169  -2.849   0.184
  764    HB3  GLN  96           3HB      GLN  96   9.777  -2.955  -1.471
  765    HG2  GLN  96           2HG      GLN  96  10.326  -5.284  -1.235
  766    HG3  GLN  96           3HG      GLN  96   9.975  -5.261   0.496
  767   HE21  GLN  96          2HE2      GLN  96   8.400  -4.652  -2.706
  768   HE22  GLN  96          1HE2      GLN  96   6.775  -4.954  -2.106
  769    H    LEU  97           H        LEU  97  10.416  -0.953   1.481
  770    HA   LEU  97           HA       LEU  97  11.505   1.304  -0.113
  771    HB2  LEU  97           2HB      LEU  97   9.324   0.596  -1.007
  772    HB3  LEU  97           3HB      LEU  97   8.578   0.799   0.572
  773    HG   LEU  97           HG       LEU  97   8.834   3.212   0.463
  774   HD11  LEU  97          1HD1      LEU  97  10.442   2.698  -2.072
  775   HD12  LEU  97          2HD1      LEU  97   9.812   4.295  -1.585
  776   HD13  LEU  97          3HD1      LEU  97  11.012   3.478  -0.580
  777   HD21  LEU  97          3HD2      LEU  97   7.497   3.662  -1.567
  778   HD22  LEU  97          1HD2      LEU  97   7.931   2.071  -2.219
  779   HD23  LEU  97          2HD2      LEU  97   6.947   2.194  -0.746
  780    HA   PRO  98           HA       PRO  98  11.719   2.087   4.415
  781    HB2  PRO  98           2HB      PRO  98  14.462   2.364   4.685
  782    HB3  PRO  98           3HB      PRO  98  13.570   0.828   4.766
  783    HG2  PRO  98           2HG      PRO  98  15.349   1.804   2.617
  784    HG3  PRO  98           3HG      PRO  98  14.712   0.156   2.912
  785    HD2  PRO  98           2HD      PRO  98  13.759   2.183   1.034
  786    HD3  PRO  98           3HD      PRO  98  13.278   0.474   1.203
  787    H    GLY  99           H        GLY  99  11.889   4.093   5.574
  788    HA2  GLY  99           2HA      GLY  99  12.558   6.505   4.026
  789    HA3  GLY  99           3HA      GLY  99  11.594   6.396   5.490
  790    H    VAL 100           H        VAL 100  12.843   8.284   5.895
  791    HA   VAL 100           HA       VAL 100  15.650   8.231   6.562
  792    HB   VAL 100           HB       VAL 100  13.439  10.207   7.268
  793   HG11  VAL 100          1HG1      VAL 100  15.281  11.824   7.748
  794   HG12  VAL 100          2HG1      VAL 100  15.207  10.516   8.923
  795   HG13  VAL 100          3HG1      VAL 100  16.455  10.494   7.648
  796   HG21  VAL 100          3HG2      VAL 100  13.970  10.045   4.850
  797   HG22  VAL 100          1HG2      VAL 100  14.484  11.595   5.515
  798   HG23  VAL 100          2HG2      VAL 100  15.686  10.322   5.202
  799    H    LYS 101           H        LYS 101  16.718   8.011   8.305
  800    HA   LYS 101           HA       LYS 101  15.398   7.246  10.865
  801    HB2  LYS 101           2HB      LYS 101  16.172   5.338   9.171
  802    HB3  LYS 101           3HB      LYS 101  17.773   5.680   9.838
  803    HG2  LYS 101           2HG      LYS 101  16.710   5.384  12.154
  804    HG3  LYS 101           3HG      LYS 101  15.230   4.889  11.310
  805    HD2  LYS 101           2HD      LYS 101  16.435   2.994  10.275
  806    HD3  LYS 101           3HD      LYS 101  17.955   3.530  11.023
  807    HE2  LYS 101           2HE      LYS 101  16.952   3.212  13.278
  808    HE3  LYS 101           3HE      LYS 101  15.455   2.637  12.527
  809    HZ1  LYS 101           3HZ      LYS 101  16.887   0.780  13.178
  810    HZ2  LYS 101           1HZ      LYS 101  16.742   0.798  11.553
  811    HZ3  LYS 101           2HZ      LYS 101  18.115   1.331  12.259
  812    H    SER 102           H        SER 102  16.630   9.762  10.254
  813    HA   SER 102           HA       SER 102  19.353   9.974  10.977
  814    HB2  SER 102           2HB      SER 102  18.832  12.401  11.245
  815    HB3  SER 102           3HB      SER 102  18.246  11.695   9.729
  816    HG   SER 102           HG       SER 102  16.667  13.026  10.785
  817    H    GLU 103           H        GLU 103  16.552   9.831  13.112
  818    HA   GLU 103           HA       GLU 103  18.009  10.689  15.491
  819    HB2  GLU 103           2HB      GLU 103  15.496  10.894  14.995
  820    HB3  GLU 103           3HB      GLU 103  15.381   9.172  15.332
  821    HG2  GLU 103           2HG      GLU 103  14.709  10.441  17.273
  822    HG3  GLU 103           3HG      GLU 103  16.188   9.587  17.659
  823    H    GLY 104           H        GLY 104  17.947   7.731  13.751
  824    HA2  GLY 104           2HA      GLY 104  18.905   5.689  14.096
  825    HA3  GLY 104           3HA      GLY 104  19.673   6.336  15.545
  826    H    LYS 105           H        LYS 105  18.159   6.554  17.460
  827    HA   LYS 105           HA       LYS 105  16.845   3.941  17.981
  828    HB2  LYS 105           2HB      LYS 105  17.765   6.249  19.744
  829    HB3  LYS 105           3HB      LYS 105  16.790   4.925  20.356
  830    HG2  LYS 105           2HG      LYS 105  19.006   4.427  20.916
  831    HG3  LYS 105           3HG      LYS 105  18.518   3.284  19.666
  832    HD2  LYS 105           2HD      LYS 105  19.856   4.467  17.995
  833    HD3  LYS 105           3HD      LYS 105  20.199   5.781  19.149
  834    HE2  LYS 105           2HE      LYS 105  21.359   4.147  20.626
  835    HE3  LYS 105           3HE      LYS 105  21.022   2.857  19.466
  836    HZ1  LYS 105           3HZ      LYS 105  22.684   5.260  18.905
  837    HZ2  LYS 105           1HZ      LYS 105  23.258   3.758  19.172
  838    HZ3  LYS 105           2HZ      LYS 105  22.378   4.061  17.834
  839    H    ARG 106           H        ARG 106  15.771   7.001  17.041
  840    HA   ARG 106           HA       ARG 106  13.808   8.180  17.097
  841    HB2  ARG 106           2HB      ARG 106  12.444   5.469  17.236
  842    HB3  ARG 106           3HB      ARG 106  11.723   6.999  16.781
  843    HG2  ARG 106           2HG      ARG 106  12.057   6.074  14.722
  844    HG3  ARG 106           3HG      ARG 106  13.469   7.110  14.876
  845    HD2  ARG 106           2HD      ARG 106  14.068   4.960  13.888
  846    HD3  ARG 106           3HD      ARG 106  14.845   5.132  15.457
  847    HE   ARG 106           HE       ARG 106  12.249   3.690  15.332
  848   HH11  ARG 106          1HH2      ARG 106  15.746   3.283  15.658
  849   HH12  ARG 106          2HH2      ARG 106  15.545   1.677  16.311
  850   HH21  ARG 106          1HH1      ARG 106  12.125   1.660  16.170
  851   HH22  ARG 106          2HH1      ARG 106  13.572   0.786  16.567
  852    H    LYS 107           H        LYS 107  15.108   8.046  19.500
  853    HA   LYS 107           HA       LYS 107  13.417   7.411  21.737
  854    HB2  LYS 107           2HB      LYS 107  15.953   7.452  21.664
  855    HB3  LYS 107           3HB      LYS 107  15.885   9.202  21.597
  856    HG2  LYS 107           2HG      LYS 107  16.421   8.441  23.838
  857    HG3  LYS 107           3HG      LYS 107  14.891   9.299  23.838
  858    HD2  LYS 107           2HD      LYS 107  14.797   7.356  25.307
  859    HD3  LYS 107           3HD      LYS 107  13.663   7.146  23.976
  860    HE2  LYS 107           2HE      LYS 107  15.356   5.704  22.804
  861    HE3  LYS 107           3HE      LYS 107  16.437   5.885  24.197
  862    HZ1  LYS 107           3HZ      LYS 107  13.717   4.679  24.258
  863    HZ2  LYS 107           1HZ      LYS 107  15.120   3.835  24.324
  864    HZ3  LYS 107           2HZ      LYS 107  14.704   4.821  25.561
  865    H    GLY 108           H        GLY 108  12.461   8.810  23.275
  866    HA2  GLY 108           2HA      GLY 108  11.648  10.811  24.154
  867    HA3  GLY 108           3HA      GLY 108  12.119  11.677  22.696
  868    H    ASP 109           H        ASP 109  10.333   8.983  21.730
  869    HA   ASP 109           HA       ASP 109   7.672  10.241  22.101
  870    HB2  ASP 109           2HB      ASP 109   8.677  10.936  19.886
  871    HB3  ASP 109           3HB      ASP 109   8.662   9.238  19.409
  872    H    GLU 110           H        GLU 110   8.796   8.100  23.529
  873    HA   GLU 110           HA       GLU 110   7.252   5.727  22.592
  874    HB2  GLU 110           2HB      GLU 110   9.506   5.925  24.622
  875    HB3  GLU 110           3HB      GLU 110   8.610   4.455  24.222
  876    HG2  GLU 110           2HG      GLU 110   9.363   4.662  21.845
  877    HG3  GLU 110           3HG      GLU 110  10.338   6.066  22.292
  878    H    VAL 111           H        VAL 111   5.850   4.624  23.972
  879    HA   VAL 111           HA       VAL 111   4.571   6.261  26.077
  880    HB   VAL 111           HB       VAL 111   3.689   3.567  24.985
  881   HG11  VAL 111          1HG1      VAL 111   2.218   5.714  26.595
  882   HG12  VAL 111          2HG1      VAL 111   1.501   4.221  25.951
  883   HG13  VAL 111          3HG1      VAL 111   2.726   4.129  27.216
  884   HG21  VAL 111          3HG2      VAL 111   2.821   6.391  24.220
  885   HG22  VAL 111          1HG2      VAL 111   3.634   5.213  23.165
  886   HG23  VAL 111          2HG2      VAL 111   1.994   4.897  23.734
  887    H    ASP 112           H        ASP 112   6.423   6.219  27.407
  888    HA   ASP 112           HA       ASP 112   6.634   3.853  29.217
  889    HB2  ASP 112           2HB      ASP 112   8.460   3.730  27.575
  890    HB3  ASP 112           3HB      ASP 112   8.950   5.374  27.961
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -9.210  17.041  13.259
    2    H2   GLY   1           H2       GLY   1  -9.351  18.169  12.082
    3    H3   GLY   1           H3       GLY   1  -8.837  18.606  13.576
    4    HA2  GLY   1           2HA      GLY   1  -6.975  18.542  12.059
    5    HA3  GLY   1           3HA      GLY   1  -6.820  17.324  13.338
    6    H    SER   2           H        SER   2  -5.311  16.852  11.232
    7    HA   SER   2           HA       SER   2  -6.467  15.439   9.036
    8    HB2  SER   2           2HB      SER   2  -3.658  15.235  10.186
    9    HB3  SER   2           3HB      SER   2  -4.173  14.712   8.571
   10    HG   SER   2           HG       SER   2  -3.225  16.816   8.557
   11    H    LYS   3           H        LYS   3  -6.502  13.231   8.513
   12    HA   LYS   3           HA       LYS   3  -7.002  11.376  10.731
   13    HB2  LYS   3           2HB      LYS   3  -7.060  11.001   7.709
   14    HB3  LYS   3           3HB      LYS   3  -7.456   9.742   8.887
   15    HG2  LYS   3           2HG      LYS   3  -9.276  11.150   9.812
   16    HG3  LYS   3           3HG      LYS   3  -8.907  12.412   8.621
   17    HD2  LYS   3           2HD      LYS   3  -9.460  10.853   6.774
   18    HD3  LYS   3           3HD      LYS   3  -9.737   9.558   7.943
   19    HE2  LYS   3           2HE      LYS   3 -11.879  10.387   7.291
   20    HE3  LYS   3           3HE      LYS   3 -11.594  10.870   8.964
   21    HZ1  LYS   3           3HZ      LYS   3 -12.507  12.688   7.623
   22    HZ2  LYS   3           1HZ      LYS   3 -11.023  13.100   8.153
   23    HZ3  LYS   3           2HZ      LYS   3 -11.244  12.641   6.596
   24    H    ALA   4           H        ALA   4  -5.774   9.851  11.486
   25    HA   ALA   4           HA       ALA   4  -3.976   8.798  12.230
   26    HB1  ALA   4           1HB      ALA   4  -3.034   8.690   9.354
   27    HB2  ALA   4           2HB      ALA   4  -2.444   7.694  10.696
   28    HB3  ALA   4           3HB      ALA   4  -4.124   7.534  10.150
   29    H    GLU   5           H        GLU   5  -1.888   9.003  13.050
   30    HA   GLU   5           HA       GLU   5  -1.041  11.837  13.132
   31    HB2  GLU   5           2HB      GLU   5  -0.393   9.460  14.910
   32    HB3  GLU   5           3HB      GLU   5   0.169  11.115  15.175
   33    HG2  GLU   5           2HG      GLU   5  -2.195  11.897  15.295
   34    HG3  GLU   5           3HG      GLU   5  -2.749  10.231  15.117
   35    H    LYS   6           H        LYS   6   0.384   8.737  12.202
   36    HA   LYS   6           HA       LYS   6   3.082   9.954  11.808
   37    HB2  LYS   6           2HB      LYS   6   1.997   7.126  11.924
   38    HB3  LYS   6           3HB      LYS   6   3.540   7.448  11.152
   39    HG2  LYS   6           2HG      LYS   6   3.840   6.733  13.446
   40    HG3  LYS   6           3HG      LYS   6   4.502   8.343  13.160
   41    HD2  LYS   6           2HD      LYS   6   2.723   9.399  14.402
   42    HD3  LYS   6           3HD      LYS   6   1.766   7.908  14.414
   43    HE2  LYS   6           2HE      LYS   6   2.746   8.253  16.606
   44    HE3  LYS   6           3HE      LYS   6   3.412   6.805  15.851
   45    HZ1  LYS   6           3HZ      LYS   6   4.785   9.444  16.076
   46    HZ2  LYS   6           1HZ      LYS   6   5.166   8.047  16.861
   47    HZ3  LYS   6           2HZ      LYS   6   5.383   8.157  15.250
   48    H    THR   7           H        THR   7   0.336   9.068   9.873
   49    HA   THR   7           HA       THR   7   1.690   8.453   7.459
   50    HB   THR   7           HB       THR   7  -1.101   9.579   7.734
   51    HG1  THR   7           1HG      THR   7  -0.137   6.945   8.135
   52   HG21  THR   7          1HG2      THR   7  -0.030   8.937   5.342
   53   HG22  THR   7          2HG2      THR   7  -0.463   7.331   5.851
   54   HG23  THR   7          3HG2      THR   7  -1.694   8.613   5.756
   55    H    LEU   8           H        LEU   8   2.097   9.623   5.563
   56    HA   LEU   8           HA       LEU   8   2.261  12.532   5.764
   57    HB2  LEU   8           2HB      LEU   8   3.020  12.569   3.507
   58    HB3  LEU   8           3HB      LEU   8   3.932  11.461   4.496
   59    HG   LEU   8           HG       LEU   8   3.265   9.585   3.329
   60   HD11  LEU   8          1HD1      LEU   8   0.912  11.102   2.148
   61   HD12  LEU   8          2HD1      LEU   8   1.438   9.501   1.620
   62   HD13  LEU   8          3HD1      LEU   8   0.864   9.686   3.264
   63   HD21  LEU   8          3HD2      LEU   8   4.666  11.058   1.968
   64   HD22  LEU   8          1HD2      LEU   8   3.557  10.179   0.918
   65   HD23  LEU   8          2HD2      LEU   8   3.234  11.872   1.305
   66    H    GLY   9           H        GLY   9  -0.499  10.721   5.307
   67    HA2  GLY   9           2HA      GLY   9  -2.636  11.592   5.199
   68    HA3  GLY   9           3HA      GLY   9  -2.003  13.132   4.630
   69    H    ASP  10           H        ASP  10  -1.087  10.264   2.809
   70    HA   ASP  10           HA       ASP  10  -3.195  10.779   0.802
   71    HB2  ASP  10           2HB      ASP  10  -0.766  12.017   0.569
   72    HB3  ASP  10           3HB      ASP  10  -0.443  10.513  -0.299
   73    H    PHE  11           H        PHE  11  -1.313   8.319   2.349
   74    HA   PHE  11           HA       PHE  11  -2.587   6.331   0.610
   75    HB2  PHE  11           2HB      PHE  11  -0.401   5.125   0.232
   76    HB3  PHE  11           3HB      PHE  11  -0.759   6.529  -0.722
   77    HD1  PHE  11           HD1      PHE  11   0.856   6.463   2.729
   78    HD2  PHE  11           HD2      PHE  11   1.281   7.228  -1.499
   79    HE1  PHE  11           HE1      PHE  11   3.212   7.106   3.076
   80    HE2  PHE  11           HE2      PHE  11   3.611   7.974  -1.116
   81    HZ   PHE  11           HZ       PHE  11   4.592   7.875   1.166
   82    H    ALA  12           H        ALA  12  -2.469   4.149   1.322
   83    HA   ALA  12           HA       ALA  12  -2.473   3.900   4.289
   84    HB1  ALA  12           1HB      ALA  12  -4.713   3.106   2.405
   85    HB2  ALA  12           2HB      ALA  12  -4.742   3.066   4.175
   86    HB3  ALA  12           3HB      ALA  12  -4.692   4.619   3.307
   87    H    ALA  13           H        ALA  13  -2.641   1.769   5.110
   88    HA   ALA  13           HA       ALA  13  -2.002  -0.524   3.337
   89    HB1  ALA  13           1HB      ALA  13  -0.461   0.291   5.848
   90    HB2  ALA  13           2HB      ALA  13  -0.116  -1.096   4.775
   91    HB3  ALA  13           3HB      ALA  13   0.085   0.564   4.183
   92    H    GLU  14           H        GLU  14  -2.875  -2.515   4.050
   93    HA   GLU  14           HA       GLU  14  -4.108  -2.867   6.661
   94    HB2  GLU  14           2HB      GLU  14  -5.694  -1.395   5.132
   95    HB3  GLU  14           3HB      GLU  14  -5.891  -2.876   4.195
   96    HG2  GLU  14           2HG      GLU  14  -6.700  -3.998   6.348
   97    HG3  GLU  14           3HG      GLU  14  -6.534  -2.443   7.149
   98    H    TYR  15           H        TYR  15  -5.161  -5.165   6.613
   99    HA   TYR  15           HA       TYR  15  -3.952  -6.941   4.558
  100    HB2  TYR  15           2HB      TYR  15  -5.690  -7.508   6.966
  101    HB3  TYR  15           3HB      TYR  15  -5.110  -8.720   5.824
  102    HD1  TYR  15           HD1      TYR  15  -2.500  -8.573   5.279
  103    HD2  TYR  15           HD2      TYR  15  -4.293  -6.951   8.832
  104    HE1  TYR  15           HE1      TYR  15  -0.358  -8.938   6.520
  105    HE2  TYR  15           HE2      TYR  15  -2.173  -7.331  10.079
  106    HH   TYR  15           HH       TYR  15   0.719  -8.758   8.489
  107    H    ALA  16           H        ALA  16  -5.040  -8.066   3.048
  108    HA   ALA  16           HA       ALA  16  -7.375  -6.884   1.883
  109    HB1  ALA  16           1HB      ALA  16  -5.899  -9.457   1.338
  110    HB2  ALA  16           2HB      ALA  16  -7.138  -8.738   0.280
  111    HB3  ALA  16           3HB      ALA  16  -5.604  -7.884   0.572
  112    H    LYS  17           H        LYS  17  -9.064  -6.951   3.400
  113    HA   LYS  17           HA       LYS  17  -9.876  -9.275   4.861
  114    HB2  LYS  17           2HB      LYS  17 -11.263  -6.650   4.190
  115    HB3  LYS  17           3HB      LYS  17 -11.979  -7.861   5.256
  116    HG2  LYS  17           2HG      LYS  17 -10.219  -7.693   6.860
  117    HG3  LYS  17           3HG      LYS  17  -9.205  -6.726   5.781
  118    HD2  LYS  17           2HD      LYS  17 -10.745  -4.850   5.884
  119    HD3  LYS  17           3HD      LYS  17 -11.889  -5.786   6.872
  120    HE2  LYS  17           2HE      LYS  17 -10.319  -5.928   8.704
  121    HE3  LYS  17           3HE      LYS  17  -9.008  -5.267   7.718
  122    HZ1  LYS  17           3HZ      LYS  17 -11.446  -3.720   8.406
  123    HZ2  LYS  17           1HZ      LYS  17 -10.089  -3.156   7.657
  124    HZ3  LYS  17           2HZ      LYS  17 -10.033  -3.608   9.223
  125    H    SER  18           H        SER  18 -10.482  -8.511   1.579
  126    HA   SER  18           HA       SER  18 -12.034 -10.981   1.243
  127    HB2  SER  18           2HB      SER  18 -13.775  -9.872  -0.126
  128    HB3  SER  18           3HB      SER  18 -13.819  -9.347   1.565
  129    HG   SER  18           HG       SER  18 -13.982  -7.553   0.200
  130    H    ASN  19           H        ASN  19 -12.000 -11.757  -0.954
  131    HA   ASN  19           HA       ASN  19  -9.695 -10.791  -2.514
  132    HB2  ASN  19           2HB      ASN  19 -10.332 -13.272  -1.972
  133    HB3  ASN  19           3HB      ASN  19 -11.460 -13.112  -3.312
  134   HD21  ASN  19          2HD2      ASN  19  -9.059 -14.837  -3.113
  135   HD22  ASN  19          1HD2      ASN  19  -7.923 -14.263  -4.341
  136    H    ARG  20           H        ARG  20 -11.354  -8.806  -2.447
  137    HA   ARG  20           HA       ARG  20 -12.686  -8.659  -5.125
  138    HB2  ARG  20           2HB      ARG  20 -13.765  -7.596  -2.477
  139    HB3  ARG  20           3HB      ARG  20 -14.487  -7.281  -4.050
  140    HG2  ARG  20           2HG      ARG  20 -14.220 -10.043  -2.781
  141    HG3  ARG  20           3HG      ARG  20 -15.671  -9.045  -2.791
  142    HD2  ARG  20           2HD      ARG  20 -15.771  -9.120  -5.241
  143    HD3  ARG  20           3HD      ARG  20 -14.293 -10.070  -5.317
  144    HE   ARG  20           HE       ARG  20 -16.972 -10.979  -4.469
  145   HH11  ARG  20          1HH2      ARG  20 -13.580 -11.911  -4.759
  146   HH12  ARG  20          2HH2      ARG  20 -13.978 -13.609  -4.650
  147   HH21  ARG  20          1HH1      ARG  20 -17.361 -13.148  -4.332
  148   HH22  ARG  20          2HH1      ARG  20 -16.045 -14.282  -4.409
  149    H    SER  21           H        SER  21 -10.506  -7.153  -2.945
  150    HA   SER  21           HA       SER  21 -10.382  -4.570  -4.297
  151    HB2  SER  21           2HB      SER  21  -8.296  -6.148  -2.735
  152    HB3  SER  21           3HB      SER  21  -8.076  -4.492  -3.338
  153    HG   SER  21           HG       SER  21  -9.837  -3.853  -2.039
  154    H    THR  22           H        THR  22  -8.933  -3.973  -5.966
  155    HA   THR  22           HA       THR  22  -7.487  -6.135  -7.430
  156    HB   THR  22           HB       THR  22  -9.204  -4.029  -8.731
  157    HG1  THR  22           1HG      THR  22 -10.516  -5.757  -9.333
  158   HG21  THR  22          1HG2      THR  22  -7.246  -4.703 -10.141
  159   HG22  THR  22          2HG2      THR  22  -7.797  -6.390 -10.025
  160   HG23  THR  22          3HG2      THR  22  -8.795  -5.177 -10.841
  161    H    CYS  23           HN       CYS  23  -5.559  -5.553  -8.146
  162    HA   CYS  23           HA       CYS  23  -4.365  -3.150  -7.110
  163    HB2  CYS  23           2HB      CYS  23  -3.209  -5.218  -6.957
  164    HB3  CYS  23           3HB      CYS  23  -3.496  -5.569  -8.659
  165    H    LYS  24           H        LYS  24  -4.642  -1.254  -8.161
  166    HA   LYS  24           HA       LYS  24  -4.962  -1.064 -11.067
  167    HB2  LYS  24           2HB      LYS  24  -4.772   0.853  -8.742
  168    HB3  LYS  24           3HB      LYS  24  -4.575   1.456 -10.392
  169    HG2  LYS  24           2HG      LYS  24  -6.883   1.679  -9.816
  170    HG3  LYS  24           3HG      LYS  24  -6.728   0.459 -11.063
  171    HD2  LYS  24           2HD      LYS  24  -7.151  -1.325  -9.453
  172    HD3  LYS  24           3HD      LYS  24  -6.994  -0.197  -8.100
  173    HE2  LYS  24           2HE      LYS  24  -9.320  -0.661  -8.404
  174    HE3  LYS  24           3HE      LYS  24  -9.027   1.012  -8.881
  175    HZ1  LYS  24           3HZ      LYS  24  -9.077   0.282 -11.215
  176    HZ2  LYS  24           1HZ      LYS  24  -9.315  -1.276 -10.767
  177    HZ3  LYS  24           2HZ      LYS  24 -10.458  -0.157 -10.469
  178    H    GLY  25           H        GLY  25  -2.268  -1.632  -9.168
  179    HA2  GLY  25           2HA      GLY  25  -0.242  -0.239 -10.719
  180    HA3  GLY  25           3HA      GLY  25   0.012  -1.572  -9.589
  181    H    CYS  26           HN       CYS  26  -1.544  -3.563 -10.804
  182    HA   CYS  26           HA       CYS  26  -0.331  -3.895 -13.503
  183    HB2  CYS  26           2HB      CYS  26   0.380  -6.100 -13.092
  184    HB3  CYS  26           3HB      CYS  26   1.040  -5.077 -11.817
  185    H    MET  27           H        MET  27  -3.242  -3.733 -12.048
  186    HA   MET  27           HA       MET  27  -5.330  -4.162 -12.645
  187    HB2  MET  27           2HB      MET  27  -4.329  -3.399 -14.940
  188    HB3  MET  27           3HB      MET  27  -4.537  -5.084 -15.399
  189    HG2  MET  27           2HG      MET  27  -6.588  -4.395 -16.026
  190    HG3  MET  27           3HG      MET  27  -7.002  -4.606 -14.332
  191    HE1  MET  27           3HE      MET  27  -6.852  -2.413 -12.552
  192    HE2  MET  27           1HE      MET  27  -5.280  -1.886 -13.208
  193    HE3  MET  27           2HE      MET  27  -6.636  -0.746 -13.134
  194    H    GLU  28           H        GLU  28  -4.344  -6.030 -11.055
  195    HA   GLU  28           HA       GLU  28  -5.827  -8.459 -11.899
  196    HB2  GLU  28           2HB      GLU  28  -2.968  -8.436 -10.877
  197    HB3  GLU  28           3HB      GLU  28  -3.996  -9.843 -10.710
  198    HG2  GLU  28           2HG      GLU  28  -3.248  -8.532 -13.345
  199    HG3  GLU  28           3HG      GLU  28  -2.517  -9.983 -12.659
  200    H    LYS  29           H        LYS  29  -6.440  -9.841 -10.155
  201    HA   LYS  29           HA       LYS  29  -7.632  -8.197  -8.099
  202    HB2  LYS  29           2HB      LYS  29  -8.756 -10.220  -7.357
  203    HB3  LYS  29           3HB      LYS  29  -8.857 -10.028  -9.106
  204    HG2  LYS  29           2HG      LYS  29  -6.886 -11.669  -9.287
  205    HG3  LYS  29           3HG      LYS  29  -7.094 -11.985  -7.563
  206    HD2  LYS  29           2HD      LYS  29  -9.224 -12.387  -9.711
  207    HD3  LYS  29           3HD      LYS  29  -8.188 -13.657  -9.045
  208    HE2  LYS  29           2HE      LYS  29  -9.115 -13.261  -6.789
  209    HE3  LYS  29           3HE      LYS  29 -10.162 -11.988  -7.424
  210    HZ1  LYS  29           3HZ      LYS  29 -11.344 -14.104  -7.262
  211    HZ2  LYS  29           1HZ      LYS  29 -11.235 -13.673  -8.832
  212    HZ3  LYS  29           2HZ      LYS  29 -10.268 -14.847  -8.236
  213    H    ILE  30           H        ILE  30  -7.173  -7.903  -6.022
  214    HA   ILE  30           HA       ILE  30  -4.602  -8.876  -4.978
  215    HB   ILE  30           HB       ILE  30  -6.663  -6.909  -3.984
  216   HG12  ILE  30          2HG1      ILE  30  -3.738  -6.473  -4.723
  217   HG13  ILE  30          3HG1      ILE  30  -5.022  -6.383  -5.918
  218   HG21  ILE  30          1HG2      ILE  30  -5.681  -8.015  -1.991
  219   HG22  ILE  30          2HG2      ILE  30  -4.049  -7.677  -2.627
  220   HG23  ILE  30          3HG2      ILE  30  -5.132  -6.355  -2.150
  221   HD11  ILE  30          3HD1      ILE  30  -6.102  -4.555  -4.672
  222   HD12  ILE  30          1HD1      ILE  30  -4.774  -4.584  -3.480
  223   HD13  ILE  30          2HD1      ILE  30  -4.450  -4.173  -5.167
  224    H    GLU  31           H        GLU  31  -4.383 -10.700  -3.928
  225    HA   GLU  31           HA       GLU  31  -6.506 -12.462  -3.289
  226    HB2  GLU  31           2HB      GLU  31  -3.586 -12.402  -2.437
  227    HB3  GLU  31           3HB      GLU  31  -4.662 -13.757  -2.117
  228    HG2  GLU  31           2HG      GLU  31  -4.087 -12.760  -4.937
  229    HG3  GLU  31           3HG      GLU  31  -3.079 -13.927  -4.096
  230    H    LYS  32           H        LYS  32  -7.491 -13.013  -1.449
  231    HA   LYS  32           HA       LYS  32  -7.666 -11.219   0.795
  232    HB2  LYS  32           2HB      LYS  32  -9.478 -12.759   0.051
  233    HB3  LYS  32           3HB      LYS  32  -8.527 -14.136   0.618
  234    HG2  LYS  32           2HG      LYS  32  -8.632 -13.186   2.946
  235    HG3  LYS  32           3HG      LYS  32  -9.618 -11.846   2.321
  236    HD2  LYS  32           2HD      LYS  32 -11.344 -13.463   1.606
  237    HD3  LYS  32           3HD      LYS  32 -10.333 -14.799   2.211
  238    HE2  LYS  32           2HE      LYS  32 -10.424 -13.827   4.497
  239    HE3  LYS  32           3HE      LYS  32 -11.439 -12.509   3.902
  240    HZ1  LYS  32           3HZ      LYS  32 -12.190 -15.386   3.864
  241    HZ2  LYS  32           1HZ      LYS  32 -12.772 -14.272   4.902
  242    HZ3  LYS  32           2HZ      LYS  32 -13.132 -14.165   3.315
  243    H    GLY  33           H        GLY  33  -6.876 -11.343   2.851
  244    HA2  GLY  33           2HA      GLY  33  -5.660 -12.032   4.676
  245    HA3  GLY  33           3HA      GLY  33  -5.425 -13.596   3.898
  246    H    GLN  34           H        GLN  34  -4.181 -11.032   1.941
  247    HA   GLN  34           HA       GLN  34  -1.568 -10.994   3.333
  248    HB2  GLN  34           2HB      GLN  34  -0.367 -10.976   1.231
  249    HB3  GLN  34           3HB      GLN  34  -1.242 -12.468   1.494
  250    HG2  GLN  34           2HG      GLN  34  -1.436 -11.970  -0.828
  251    HG3  GLN  34           3HG      GLN  34  -3.017 -11.681  -0.122
  252   HE21  GLN  34          2HE2      GLN  34  -3.921  -9.619  -0.546
  253   HE22  GLN  34          1HE2      GLN  34  -2.914  -8.192  -0.499
  254    H    VAL  35           H        VAL  35  -0.307  -8.918   2.557
  255    HA   VAL  35           HA       VAL  35  -1.966  -6.766   3.496
  256    HB   VAL  35           HB       VAL  35   0.838  -6.767   2.353
  257   HG11  VAL  35          1HG1      VAL  35  -0.620  -4.506   3.793
  258   HG12  VAL  35          2HG1      VAL  35   1.117  -4.556   3.435
  259   HG13  VAL  35          3HG1      VAL  35  -0.036  -4.487   2.110
  260   HG21  VAL  35          3HG2      VAL  35   0.578  -7.992   4.492
  261   HG22  VAL  35          1HG2      VAL  35   1.502  -6.507   4.708
  262   HG23  VAL  35          2HG2      VAL  35  -0.196  -6.564   5.215
  263    H    ARG  36           H        ARG  36  -2.809  -4.954   2.507
  264    HA   ARG  36           HA       ARG  36  -2.515  -4.621  -0.429
  265    HB2  ARG  36           2HB      ARG  36  -4.824  -3.976  -0.709
  266    HB3  ARG  36           3HB      ARG  36  -4.687  -5.641  -0.146
  267    HG2  ARG  36           2HG      ARG  36  -5.431  -5.068   2.067
  268    HG3  ARG  36           3HG      ARG  36  -5.400  -3.346   1.710
  269    HD2  ARG  36           2HD      ARG  36  -7.161  -3.634  -0.004
  270    HD3  ARG  36           3HD      ARG  36  -7.179  -5.372   0.297
  271    HE   ARG  36           HE       ARG  36  -7.707  -3.642   2.650
  272   HH11  ARG  36          1HH2      ARG  36  -9.398  -5.247   0.004
  273   HH12  ARG  36          2HH2      ARG  36 -10.807  -5.488   0.980
  274   HH21  ARG  36          1HH1      ARG  36  -9.542  -3.725   3.643
  275   HH22  ARG  36          2HH1      ARG  36 -10.958  -4.513   2.954
  276    H    LEU  37           H        LEU  37  -2.016  -2.611  -1.039
  277    HA   LEU  37           HA       LEU  37  -2.114  -0.446   1.009
  278    HB2  LEU  37           2HB      LEU  37  -0.236  -0.518  -1.368
  279    HB3  LEU  37           3HB      LEU  37  -0.274   0.596   0.023
  280    HG   LEU  37           HG       LEU  37   1.607  -0.611   0.340
  281   HD11  LEU  37          1HD1      LEU  37  -0.361  -2.088   2.098
  282   HD12  LEU  37          2HD1      LEU  37   1.343  -1.700   2.425
  283   HD13  LEU  37          3HD1      LEU  37   0.140  -0.401   2.283
  284   HD21  LEU  37          3HD2      LEU  37   0.162  -3.286   0.030
  285   HD22  LEU  37          1HD2      LEU  37   1.117  -2.502  -1.242
  286   HD23  LEU  37          2HD2      LEU  37   1.889  -2.992   0.283
  287    H    SER  38           H        SER  38  -2.720   1.676   0.263
  288    HA   SER  38           HA       SER  38  -3.669   1.873  -2.504
  289    HB2  SER  38           2HB      SER  38  -5.839   2.936  -1.779
  290    HB3  SER  38           3HB      SER  38  -5.735   1.196  -1.553
  291    HG   SER  38           HG       SER  38  -5.808   1.441   0.542
  292    H    LYS  39           H        LYS  39  -4.160   4.000  -3.219
  293    HA   LYS  39           HA       LYS  39  -2.957   6.206  -1.566
  294    HB2  LYS  39           2HB      LYS  39  -1.575   5.854  -3.463
  295    HB3  LYS  39           3HB      LYS  39  -2.955   5.809  -4.568
  296    HG2  LYS  39           2HG      LYS  39  -3.372   8.169  -4.291
  297    HG3  LYS  39           3HG      LYS  39  -2.185   8.293  -2.969
  298    HD2  LYS  39           2HD      LYS  39  -0.357   7.797  -4.443
  299    HD3  LYS  39           3HD      LYS  39  -1.461   7.370  -5.766
  300    HE2  LYS  39           2HE      LYS  39  -0.770   9.434  -6.446
  301    HE3  LYS  39           3HE      LYS  39  -2.283   9.831  -5.625
  302    HZ1  LYS  39           3HZ      LYS  39   0.417  10.027  -4.389
  303    HZ2  LYS  39           1HZ      LYS  39  -0.404  11.299  -5.017
  304    HZ3  LYS  39           2HZ      LYS  39  -0.994  10.548  -3.702
  305    H    LYS  40           H        LYS  40  -4.245   7.828  -1.036
  306    HA   LYS  40           HA       LYS  40  -7.050   7.879  -1.983
  307    HB2  LYS  40           2HB      LYS  40  -6.994   8.069   0.293
  308    HB3  LYS  40           3HB      LYS  40  -5.657   9.181   0.326
  309    HG2  LYS  40           2HG      LYS  40  -8.390   9.900  -0.919
  310    HG3  LYS  40           3HG      LYS  40  -8.091  10.018   0.805
  311    HD2  LYS  40           2HD      LYS  40  -6.885  11.716  -1.384
  312    HD3  LYS  40           3HD      LYS  40  -7.844  12.203   0.009
  313    HE2  LYS  40           2HE      LYS  40  -5.994  11.481   1.523
  314    HE3  LYS  40           3HE      LYS  40  -5.043  11.032   0.087
  315    HZ1  LYS  40           3HZ      LYS  40  -5.928  13.814   0.393
  316    HZ2  LYS  40           1HZ      LYS  40  -4.585  13.242   1.160
  317    HZ3  LYS  40           2HZ      LYS  40  -4.633  13.170  -0.447
  318    H    MET  41           H        MET  41  -7.356   8.818  -3.857
  319    HA   MET  41           HA       MET  41  -6.439  11.553  -4.305
  320    HB2  MET  41           2HB      MET  41  -5.303  11.140  -6.435
  321    HB3  MET  41           3HB      MET  41  -4.451  10.377  -5.098
  322    HG2  MET  41           2HG      MET  41  -5.461   8.186  -5.714
  323    HG3  MET  41           3HG      MET  41  -6.289   8.960  -7.072
  324    HE1  MET  41           3HE      MET  41  -5.313   7.153  -8.708
  325    HE2  MET  41           1HE      MET  41  -3.593   6.703  -8.762
  326    HE3  MET  41           2HE      MET  41  -4.547   6.398  -7.288
  327    H    VAL  42           H        VAL  42  -7.790  12.664  -5.828
  328    HA   VAL  42           HA       VAL  42 -10.113  11.469  -6.870
  329    HB   VAL  42           HB       VAL  42  -9.948  13.843  -6.766
  330   HG11  VAL  42          1HG1      VAL  42  -7.551  14.202  -7.230
  331   HG12  VAL  42          2HG1      VAL  42  -7.811  13.750  -8.933
  332   HG13  VAL  42          3HG1      VAL  42  -8.580  15.200  -8.262
  333   HG21  VAL  42          3HG2      VAL  42 -10.122  13.028  -9.673
  334   HG22  VAL  42          1HG2      VAL  42 -11.418  12.825  -8.459
  335   HG23  VAL  42          2HG2      VAL  42 -10.860  14.447  -8.901
  336    H    ASP  43           H        ASP  43 -10.546  10.100  -8.461
  337    HA   ASP  43           HA       ASP  43  -8.399   8.583  -9.507
  338    HB2  ASP  43           2HB      ASP  43 -10.657   7.707  -9.004
  339    HB3  ASP  43           3HB      ASP  43 -11.302   8.599 -10.379
  340    HA   PRO  44           HA       PRO  44  -7.426  11.239 -12.892
  341    HB2  PRO  44           2HB      PRO  44  -5.520   9.735 -14.212
  342    HB3  PRO  44           3HB      PRO  44  -5.241  10.500 -12.617
  343    HG2  PRO  44           2HG      PRO  44  -6.119   7.638 -13.172
  344    HG3  PRO  44           3HG      PRO  44  -4.774   8.196 -12.119
  345    HD2  PRO  44           2HD      PRO  44  -7.190   7.585 -11.102
  346    HD3  PRO  44           3HD      PRO  44  -6.270   8.989 -10.480
  347    H    GLU  45           H        GLU  45  -8.957   8.193 -13.393
  348    HA   GLU  45           HA       GLU  45  -9.481   8.723 -16.295
  349    HB2  GLU  45           2HB      GLU  45  -9.809   6.230 -14.583
  350    HB3  GLU  45           3HB      GLU  45 -10.210   6.341 -16.293
  351    HG2  GLU  45           2HG      GLU  45  -7.942   6.539 -16.954
  352    HG3  GLU  45           3HG      GLU  45  -7.387   6.967 -15.342
  353    H    LYS  46           H        LYS  46 -10.835   9.066 -13.209
  354    HA   LYS  46           HA       LYS  46 -13.632   9.448 -14.165
  355    HB2  LYS  46           2HB      LYS  46 -12.793   7.591 -11.915
  356    HB3  LYS  46           3HB      LYS  46 -14.459   8.025 -12.300
  357    HG2  LYS  46           2HG      LYS  46 -14.356   6.853 -14.412
  358    HG3  LYS  46           3HG      LYS  46 -12.653   6.436 -14.162
  359    HD2  LYS  46           2HD      LYS  46 -14.916   5.699 -12.270
  360    HD3  LYS  46           3HD      LYS  46 -14.278   4.610 -13.519
  361    HE2  LYS  46           2HE      LYS  46 -12.868   5.649 -11.027
  362    HE3  LYS  46           3HE      LYS  46 -13.326   3.985 -11.392
  363    HZ1  LYS  46           3HZ      LYS  46 -11.180   5.586 -12.683
  364    HZ2  LYS  46           1HZ      LYS  46 -10.992   4.280 -11.762
  365    HZ3  LYS  46           2HZ      LYS  46 -11.663   4.102 -13.255
  366    HA   PRO  47           HA       PRO  47 -11.947  12.218 -10.726
  367    HB2  PRO  47           2HB      PRO  47 -12.151  14.716 -11.874
  368    HB3  PRO  47           3HB      PRO  47 -10.725  13.645 -12.007
  369    HG2  PRO  47           2HG      PRO  47 -13.018  13.941 -13.985
  370    HG3  PRO  47           3HG      PRO  47 -11.255  13.962 -14.324
  371    HD2  PRO  47           2HD      PRO  47 -12.723  11.715 -14.676
  372    HD3  PRO  47           3HD      PRO  47 -11.067  11.636 -14.000
  373    H    GLN  48           H        GLN  48 -14.882  12.066 -12.512
  374    HA   GLN  48           HA       GLN  48 -16.554  13.807 -10.958
  375    HB2  GLN  48           2HB      GLN  48 -17.210  11.256 -12.495
  376    HB3  GLN  48           3HB      GLN  48 -18.396  12.402 -11.876
  377    HG2  GLN  48           2HG      GLN  48 -16.300  12.994 -14.017
  378    HG3  GLN  48           3HG      GLN  48 -18.018  12.728 -14.276
  379   HE21  GLN  48          2HE2      GLN  48 -19.561  14.361 -13.250
  380   HE22  GLN  48          1HE2      GLN  48 -18.967  16.008 -13.085
  381    H    LEU  49           H        LEU  49 -15.234  10.565 -10.198
  382    HA   LEU  49           HA       LEU  49 -16.913   9.936  -7.967
  383    HB2  LEU  49           2HB      LEU  49 -13.960   9.561  -8.632
  384    HB3  LEU  49           3HB      LEU  49 -14.631   8.938  -7.143
  385    HG   LEU  49           HG       LEU  49 -15.740   8.119  -9.855
  386   HD11  LEU  49          1HD1      LEU  49 -13.595   6.882  -8.084
  387   HD12  LEU  49          2HD1      LEU  49 -14.353   6.073  -9.482
  388   HD13  LEU  49          3HD1      LEU  49 -13.376   7.551  -9.702
  389   HD21  LEU  49          3HD2      LEU  49 -15.913   6.965  -7.027
  390   HD22  LEU  49          1HD2      LEU  49 -17.239   7.741  -7.915
  391   HD23  LEU  49          2HD2      LEU  49 -16.583   6.201  -8.491
  392    H    GLY  50           H        GLY  50 -14.416  12.425  -8.277
  393    HA2  GLY  50           2HA      GLY  50 -13.222  13.646  -6.696
  394    HA3  GLY  50           3HA      GLY  50 -14.300  13.076  -5.417
  395    H    MET  51           H        MET  51 -12.505  12.566  -4.137
  396    HA   MET  51           HA       MET  51 -10.299  11.000  -4.888
  397    HB2  MET  51           2HB      MET  51 -11.093  11.525  -2.031
  398    HB3  MET  51           3HB      MET  51  -9.488  11.341  -2.739
  399    HG2  MET  51           2HG      MET  51 -10.170  13.515  -4.109
  400    HG3  MET  51           3HG      MET  51 -11.385  13.693  -2.847
  401    HE1  MET  51           3HE      MET  51  -7.918  14.474  -4.034
  402    HE2  MET  51           1HE      MET  51  -6.856  14.246  -2.620
  403    HE3  MET  51           2HE      MET  51  -7.678  12.849  -3.368
  404    H    ILE  52           H        ILE  52  -9.872   8.875  -4.743
  405    HA   ILE  52           HA       ILE  52 -11.623   7.154  -3.068
  406    HB   ILE  52           HB       ILE  52 -11.197   5.293  -4.686
  407   HG12  ILE  52          2HG1      ILE  52 -10.519   7.402  -6.764
  408   HG13  ILE  52          3HG1      ILE  52  -9.261   6.551  -5.875
  409   HG21  ILE  52          1HG2      ILE  52 -13.010   5.827  -6.144
  410   HG22  ILE  52          2HG2      ILE  52 -13.324   6.463  -4.520
  411   HG23  ILE  52          3HG2      ILE  52 -12.822   7.574  -5.828
  412   HD11  ILE  52          3HD1      ILE  52  -9.574   5.387  -7.908
  413   HD12  ILE  52          1HD1      ILE  52 -10.197   4.368  -6.601
  414   HD13  ILE  52          2HD1      ILE  52 -11.329   5.250  -7.664
  415    H    ASP  53           H        ASP  53 -10.656   5.205  -2.397
  416    HA   ASP  53           HA       ASP  53  -7.721   5.360  -1.862
  417    HB2  ASP  53           2HB      ASP  53  -9.886   3.564  -0.699
  418    HB3  ASP  53           3HB      ASP  53  -8.170   3.453  -0.327
  419    H    ARG  54           H        ARG  54  -7.071   4.930  -4.004
  420    HA   ARG  54           HA       ARG  54  -8.040   2.616  -5.519
  421    HB2  ARG  54           2HB      ARG  54  -7.244   4.898  -6.374
  422    HB3  ARG  54           3HB      ARG  54  -5.590   4.309  -6.115
  423    HG2  ARG  54           2HG      ARG  54  -5.667   2.831  -7.859
  424    HG3  ARG  54           3HG      ARG  54  -7.419   2.608  -7.766
  425    HD2  ARG  54           2HD      ARG  54  -7.912   4.376  -9.090
  426    HD3  ARG  54           3HD      ARG  54  -6.643   5.394  -8.440
  427    HE   ARG  54           HE       ARG  54  -5.049   3.881  -9.844
  428   HH11  ARG  54          1HH2      ARG  54  -8.224   5.036 -11.032
  429   HH12  ARG  54          2HH2      ARG  54  -7.665   4.771 -12.690
  430   HH21  ARG  54          1HH1      ARG  54  -4.598   3.693 -12.080
  431   HH22  ARG  54          2HH1      ARG  54  -5.890   4.124 -13.202
  432    H    TRP  55           H        TRP  55  -7.339   0.548  -5.268
  433    HA   TRP  55           HA       TRP  55  -5.139   0.066  -3.409
  434    HB2  TRP  55           2HB      TRP  55  -7.138  -1.838  -4.635
  435    HB3  TRP  55           3HB      TRP  55  -5.930  -2.265  -3.433
  436    HD1  TRP  55           HD1      TRP  55  -9.332  -0.723  -3.760
  437    HE1  TRP  55           HE1      TRP  55 -10.297  -0.151  -1.465
  438    HE3  TRP  55           HE3      TRP  55  -5.153  -1.499  -0.882
  439    HZ2  TRP  55           HZ2      TRP  55  -9.384   0.006   1.263
  440    HZ3  TRP  55           HZ3      TRP  55  -5.209  -1.010   1.551
  441    HH2  TRP  55           HH2      TRP  55  -7.320  -0.290   2.639
  442    H    TYR  56           H        TYR  56  -3.514  -1.394  -3.619
  443    HA   TYR  56           HA       TYR  56  -2.458  -2.328  -6.209
  444    HB2  TYR  56           2HB      TYR  56  -0.998  -0.590  -4.169
  445    HB3  TYR  56           3HB      TYR  56  -0.289  -1.291  -5.616
  446    HD1  TYR  56           HD2      TYR  56  -0.899  -0.442  -7.848
  447    HD2  TYR  56           HD1      TYR  56  -2.421   1.423  -4.301
  448    HE1  TYR  56           HE2      TYR  56  -1.625   1.537  -9.206
  449    HE2  TYR  56           HE1      TYR  56  -3.197   3.367  -5.646
  450    HH   TYR  56           HH       TYR  56  -3.294   4.321  -7.717
  451    H    HIS  57           H        HIS  57  -0.876  -3.972  -5.949
  452    HA   HIS  57           HA       HIS  57  -1.057  -5.787  -3.630
  453    HB2  HIS  57           2HB      HIS  57   0.796  -5.778  -6.028
  454    HB3  HIS  57           3HB      HIS  57   0.856  -6.983  -4.773
  455    HD2  HIS  57           HD2      HIS  57  -1.627  -8.356  -4.346
  456    HE1  HIS  57           HE1      HIS  57  -2.607  -8.212  -8.477
  457    HE2  HIS  57           HE2      HIS  57  -3.109  -9.369  -6.298
  458    HA   PRO  58           HA       PRO  58   2.611  -4.235  -1.358
  459    HB2  PRO  58           2HB      PRO  58   3.412  -7.135  -1.187
  460    HB3  PRO  58           3HB      PRO  58   3.353  -5.897   0.111
  461    HG2  PRO  58           2HG      PRO  58   1.363  -7.701  -0.069
  462    HG3  PRO  58           3HG      PRO  58   0.957  -5.962   0.156
  463    HD2  PRO  58           2HD      PRO  58   1.004  -7.540  -2.436
  464    HD3  PRO  58           3HD      PRO  58  -0.292  -6.495  -1.785
  465    H    GLY  59           H        GLY  59   3.115  -6.431  -4.068
  466    HA2  GLY  59           2HA      GLY  59   5.949  -5.693  -4.422
  467    HA3  GLY  59           3HA      GLY  59   4.956  -6.673  -5.503
  468    H    CYS  60           HN       CYS  60   2.797  -4.771  -5.873
  469    HA   CYS  60           HA       CYS  60   4.023  -3.279  -8.015
  470    HB2  CYS  60           2HB      CYS  60   1.130  -3.398  -7.137
  471    HB3  CYS  60           3HB      CYS  60   1.741  -2.894  -8.718
  472    H    PHE  61           H        PHE  61   2.411  -2.300  -4.968
  473    HA   PHE  61           HA       PHE  61   2.359   0.477  -5.597
  474    HB2  PHE  61           2HB      PHE  61   1.575   0.763  -3.532
  475    HB3  PHE  61           3HB      PHE  61   1.429  -0.985  -3.535
  476    HD1  PHE  61           HD2      PHE  61   3.269  -2.361  -2.503
  477    HD2  PHE  61           HD1      PHE  61   3.114   1.903  -2.103
  478    HE1  PHE  61           HE2      PHE  61   4.741  -2.514  -0.488
  479    HE2  PHE  61           HE1      PHE  61   4.536   1.771  -0.056
  480    HZ   PHE  61           HZ       PHE  61   5.365  -0.435   0.743
  481    H    VAL  62           H        VAL  62   5.014  -1.556  -4.437
  482    HA   VAL  62           HA       VAL  62   7.010   0.524  -4.260
  483    HB   VAL  62           HB       VAL  62   7.393  -2.426  -4.880
  484   HG11  VAL  62          1HG1      VAL  62   9.340  -0.321  -3.851
  485   HG12  VAL  62          2HG1      VAL  62   9.661  -2.066  -3.941
  486   HG13  VAL  62          3HG1      VAL  62   9.406  -1.152  -5.427
  487   HG21  VAL  62          3HG2      VAL  62   6.235  -2.207  -2.773
  488   HG22  VAL  62          1HG2      VAL  62   7.918  -2.573  -2.430
  489   HG23  VAL  62          2HG2      VAL  62   7.315  -0.910  -2.242
  490    H    LYS  63           H        LYS  63   6.019  -1.568  -7.039
  491    HA   LYS  63           HA       LYS  63   8.015  -0.565  -8.854
  492    HB2  LYS  63           2HB      LYS  63   5.296  -1.836  -9.321
  493    HB3  LYS  63           3HB      LYS  63   6.386  -1.376 -10.629
  494    HG2  LYS  63           2HG      LYS  63   8.149  -2.861  -9.653
  495    HG3  LYS  63           3HG      LYS  63   6.972  -3.449  -8.483
  496    HD2  LYS  63           2HD      LYS  63   6.761  -3.635 -11.521
  497    HD3  LYS  63           3HD      LYS  63   7.214  -4.960 -10.461
  498    HE2  LYS  63           2HE      LYS  63   4.514  -3.541 -10.308
  499    HE3  LYS  63           3HE      LYS  63   4.803  -4.936 -11.340
  500    HZ1  LYS  63           3HZ      LYS  63   3.855  -5.436  -9.088
  501    HZ2  LYS  63           1HZ      LYS  63   5.213  -6.293  -9.455
  502    HZ3  LYS  63           2HZ      LYS  63   5.291  -5.019  -8.424
  503    H    ASN  64           H        ASN  64   4.743   0.657  -8.122
  504    HA   ASN  64           HA       ASN  64   5.255   3.014  -9.866
  505    HB2  ASN  64           2HB      ASN  64   2.677   3.356  -9.308
  506    HB3  ASN  64           3HB      ASN  64   3.310   2.516 -10.702
  507   HD21  ASN  64          1HD2      ASN  64   1.777   2.032  -7.510
  508   HD22  ASN  64          2HD2      ASN  64   1.200   0.428  -7.964
  509    H    ARG  65           H        ARG  65   6.260   2.445  -6.935
  510    HA   ARG  65           HA       ARG  65   5.227   4.219  -5.159
  511    HB2  ARG  65           2HB      ARG  65   7.418   4.274  -4.113
  512    HB3  ARG  65           3HB      ARG  65   7.195   2.694  -4.825
  513    HG2  ARG  65           2HG      ARG  65   8.491   3.578  -6.876
  514    HG3  ARG  65           3HG      ARG  65   8.872   5.006  -5.901
  515    HD2  ARG  65           2HD      ARG  65  10.083   3.703  -4.307
  516    HD3  ARG  65           3HD      ARG  65   9.571   2.177  -5.045
  517    HE   ARG  65           HE       ARG  65  11.715   3.961  -5.911
  518   HH11  ARG  65          1HH2      ARG  65   9.577   1.423  -7.092
  519   HH12  ARG  65          2HH2      ARG  65  10.687   0.992  -8.370
  520   HH21  ARG  65          1HH1      ARG  65  13.041   3.355  -7.576
  521   HH22  ARG  65          2HH1      ARG  65  12.578   2.060  -8.637
  522    H    GLU  66           H        GLU  66   7.273   5.138  -7.879
  523    HA   GLU  66           HA       GLU  66   7.456   7.912  -7.080
  524    HB2  GLU  66           2HB      GLU  66   8.682   8.198  -9.195
  525    HB3  GLU  66           3HB      GLU  66   9.312   6.897  -8.179
  526    HG2  GLU  66           2HG      GLU  66   8.236   5.202  -9.592
  527    HG3  GLU  66           3HG      GLU  66   7.490   6.460 -10.584
  528    H    GLU  67           H        GLU  67   5.220   6.089  -9.020
  529    HA   GLU  67           HA       GLU  67   3.871   8.440 -10.154
  530    HB2  GLU  67           2HB      GLU  67   3.956   6.307 -11.377
  531    HB3  GLU  67           3HB      GLU  67   3.040   5.524 -10.083
  532    HG2  GLU  67           2HG      GLU  67   1.106   6.942 -10.512
  533    HG3  GLU  67           3HG      GLU  67   2.027   7.920 -11.661
  534    H    LEU  68           H        LEU  68   3.465   6.130  -7.430
  535    HA   LEU  68           HA       LEU  68   1.144   7.434  -6.306
  536    HB2  LEU  68           2HB      LEU  68   3.271   5.733  -4.950
  537    HB3  LEU  68           3HB      LEU  68   1.713   6.169  -4.263
  538    HG   LEU  68           HG       LEU  68   2.174   4.360  -6.672
  539   HD11  LEU  68          1HD1      LEU  68   1.107   3.810  -3.879
  540   HD12  LEU  68          2HD1      LEU  68   1.236   2.631  -5.197
  541   HD13  LEU  68          3HD1      LEU  68   2.705   3.343  -4.502
  542   HD21  LEU  68          3HD2      LEU  68  -0.459   5.117  -5.373
  543   HD22  LEU  68          1HD2      LEU  68   0.074   5.594  -7.008
  544   HD23  LEU  68          2HD2      LEU  68  -0.209   3.898  -6.635
  545    H    GLY  69           H        GLY  69   4.596   8.156  -6.064
  546    HA2  GLY  69           2HA      GLY  69   5.214  10.471  -5.833
  547    HA3  GLY  69           3HA      GLY  69   3.856  10.748  -4.748
  548    H    PHE  70           H        PHE  70   5.740   7.866  -4.163
  549    HA   PHE  70           HA       PHE  70   6.651   8.684  -1.560
  550    HB2  PHE  70           2HB      PHE  70   7.265   6.381  -3.411
  551    HB3  PHE  70           3HB      PHE  70   8.241   6.637  -1.989
  552    HD1  PHE  70           HD1      PHE  70   7.393   6.414   0.271
  553    HD2  PHE  70           HD2      PHE  70   4.901   5.569  -3.148
  554    HE1  PHE  70           HE1      PHE  70   5.837   5.147   1.719
  555    HE2  PHE  70           HE2      PHE  70   3.358   4.276  -1.695
  556    HZ   PHE  70           HZ       PHE  70   3.842   4.041   0.735
  557    H    ARG  71           H        ARG  71   8.510   9.381  -0.833
  558    HA   ARG  71           HA       ARG  71  10.953   9.596  -2.480
  559    HB2  ARG  71           2HB      ARG  71   9.761  11.801  -0.739
  560    HB3  ARG  71           3HB      ARG  71  11.435  11.792  -1.278
  561    HG2  ARG  71           2HG      ARG  71  10.827  12.033  -3.583
  562    HG3  ARG  71           3HG      ARG  71   9.119  11.712  -3.250
  563    HD2  ARG  71           2HD      ARG  71   9.504  14.117  -3.598
  564    HD3  ARG  71           3HD      ARG  71   8.869  13.736  -1.999
  565    HE   ARG  71           HE       ARG  71  10.813  14.495  -0.983
  566   HH11  ARG  71          1HH2      ARG  71  11.550  14.379  -4.424
  567   HH12  ARG  71          2HH2      ARG  71  13.061  15.212  -4.174
  568   HH21  ARG  71          1HH1      ARG  71  12.583  15.448  -0.747
  569   HH22  ARG  71          2HH1      ARG  71  13.667  15.839  -2.089
  570    HA   PRO  72           HA       PRO  72  12.739   7.576   0.994
  571    HB2  PRO  72           2HB      PRO  72  14.933   9.662   0.934
  572    HB3  PRO  72           3HB      PRO  72  15.079   7.878   1.049
  573    HG2  PRO  72           2HG      PRO  72  15.478   9.101  -1.321
  574    HG3  PRO  72           3HG      PRO  72  14.459   7.623  -1.262
  575    HD2  PRO  72           2HD      PRO  72  13.562  10.521  -1.340
  576    HD3  PRO  72           3HD      PRO  72  12.965   9.122  -2.281
  577    H    GLU  73           H        GLU  73  12.326  11.086   1.367
  578    HA   GLU  73           HA       GLU  73  12.840  11.206   4.182
  579    HB2  GLU  73           2HB      GLU  73  11.871  13.409   4.093
  580    HB3  GLU  73           3HB      GLU  73  12.919  13.150   2.699
  581    HG2  GLU  73           2HG      GLU  73  10.833  12.636   1.332
  582    HG3  GLU  73           3HG      GLU  73   9.870  13.125   2.729
  583    H    TYR  74           H        TYR  74  10.041  10.101   2.419
  584    HA   TYR  74           HA       TYR  74   8.717   9.522   4.991
  585    HB2  TYR  74           2HB      TYR  74   6.471  10.000   3.889
  586    HB3  TYR  74           3HB      TYR  74   7.433  11.259   4.620
  587    HD1  TYR  74           HD1      TYR  74   7.767   9.843   1.158
  588    HD2  TYR  74           HD2      TYR  74   6.726  13.209   3.626
  589    HE1  TYR  74           HE1      TYR  74   7.261  11.207  -0.893
  590    HE2  TYR  74           HE2      TYR  74   6.288  14.578   1.589
  591    HH   TYR  74           HH       TYR  74   6.480  13.180  -1.705
  592    H    SER  75           H        SER  75   9.586   7.695   4.880
  593    HA   SER  75           HA       SER  75   9.554   5.520   3.195
  594    HB2  SER  75           2HB      SER  75  10.651   5.856   5.497
  595    HB3  SER  75           3HB      SER  75   9.098   5.418   6.208
  596    HG   SER  75           HG       SER  75  10.294   3.568   6.084
  597    H    ALA  76           H        ALA  76   8.461   3.451   3.518
  598    HA   ALA  76           HA       ALA  76   5.617   3.343   3.184
  599    HB1  ALA  76           1HB      ALA  76   7.211   1.587   2.443
  600    HB2  ALA  76           2HB      ALA  76   7.560   1.192   4.142
  601    HB3  ALA  76           3HB      ALA  76   5.932   0.931   3.477
  602    H    SER  77           H        SER  77   7.521   3.592   6.104
  603    HA   SER  77           HA       SER  77   5.698   2.619   8.012
  604    HB2  SER  77           2HB      SER  77   7.453   5.059   8.432
  605    HB3  SER  77           3HB      SER  77   7.001   3.813   9.609
  606    HG   SER  77           HG       SER  77   9.158   3.573   8.867
  607    H    GLN  78           H        GLN  78   5.525   5.522   6.042
  608    HA   GLN  78           HA       GLN  78   3.564   6.748   7.819
  609    HB2  GLN  78           2HB      GLN  78   5.029   7.919   5.440
  610    HB3  GLN  78           3HB      GLN  78   3.930   8.772   6.531
  611    HG2  GLN  78           2HG      GLN  78   5.468   8.012   8.467
  612    HG3  GLN  78           3HG      GLN  78   6.635   7.544   7.230
  613   HE21  GLN  78          2HE2      GLN  78   4.697  10.376   8.351
  614   HE22  GLN  78          1HE2      GLN  78   5.939  11.555   7.906
  615    H    LEU  79           H        LEU  79   2.897   4.379   6.189
  616    HA   LEU  79           HA       LEU  79   0.610   5.382   4.585
  617    HB2  LEU  79           2HB      LEU  79   1.624   2.594   5.311
  618    HB3  LEU  79           3HB      LEU  79   0.147   2.874   4.408
  619    HG   LEU  79           HG       LEU  79   2.775   3.912   3.313
  620   HD11  LEU  79          1HD1      LEU  79   3.133   1.483   3.819
  621   HD12  LEU  79          2HD1      LEU  79   1.747   1.110   2.788
  622   HD13  LEU  79          3HD1      LEU  79   3.175   1.890   2.097
  623   HD21  LEU  79          3HD2      LEU  79   0.392   2.736   1.848
  624   HD22  LEU  79          1HD2      LEU  79   0.456   4.420   2.352
  625   HD23  LEU  79          2HD2      LEU  79   1.662   3.808   1.223
  626    H    LYS  80           H        LYS  80  -1.480   5.441   5.329
  627    HA   LYS  80           HA       LYS  80  -2.134   5.483   8.086
  628    HB2  LYS  80           2HB      LYS  80  -4.045   4.782   5.816
  629    HB3  LYS  80           3HB      LYS  80  -4.491   5.299   7.438
  630    HG2  LYS  80           2HG      LYS  80  -3.327   7.474   7.022
  631    HG3  LYS  80           3HG      LYS  80  -3.056   6.955   5.349
  632    HD2  LYS  80           2HD      LYS  80  -5.785   7.311   6.673
  633    HD3  LYS  80           3HD      LYS  80  -5.004   8.487   5.606
  634    HE2  LYS  80           2HE      LYS  80  -4.991   6.815   3.765
  635    HE3  LYS  80           3HE      LYS  80  -5.806   5.650   4.823
  636    HZ1  LYS  80           3HZ      LYS  80  -7.377   6.789   3.368
  637    HZ2  LYS  80           1HZ      LYS  80  -7.709   7.144   4.927
  638    HZ3  LYS  80           2HZ      LYS  80  -6.966   8.250   3.976
  639    H    GLY  81           H        GLY  81  -2.540   3.932   9.571
  640    HA2  GLY  81           2HA      GLY  81  -3.127   1.893  10.505
  641    HA3  GLY  81           3HA      GLY  81  -3.680   1.351   8.923
  642    H    PHE  82           H        PHE  82  -0.394   2.272   8.598
  643    HA   PHE  82           HA       PHE  82   0.638  -0.313   8.140
  644    HB2  PHE  82           2HB      PHE  82   1.789   1.576   7.294
  645    HB3  PHE  82           3HB      PHE  82   1.818   2.385   8.851
  646    HD1  PHE  82           HD2      PHE  82   3.418   1.839  10.580
  647    HD2  PHE  82           HD1      PHE  82   3.563  -0.052   6.712
  648    HE1  PHE  82           HE2      PHE  82   5.740   1.072  11.045
  649    HE2  PHE  82           HE1      PHE  82   5.897  -0.783   7.165
  650    HZ   PHE  82           HZ       PHE  82   6.979  -0.239   9.327
  651    H    SER  83           H        SER  83   0.775   1.686  11.109
  652    HA   SER  83           HA       SER  83   2.328   0.002  12.692
  653    HB2  SER  83           2HB      SER  83   0.123   1.915  13.542
  654    HB3  SER  83           3HB      SER  83   1.425   1.301  14.586
  655    HG   SER  83           HG       SER  83   1.932   3.359  13.703
  656    H    LEU  84           H        LEU  84  -1.018  -0.466  11.849
  657    HA   LEU  84           HA       LEU  84  -1.584  -2.273  14.123
  658    HB2  LEU  84           2HB      LEU  84  -3.278  -1.112  11.875
  659    HB3  LEU  84           3HB      LEU  84  -3.864  -2.355  12.950
  660    HG   LEU  84           HG       LEU  84  -4.724  -0.243  13.617
  661   HD11  LEU  84          1HD1      LEU  84  -4.191  -0.250  15.972
  662   HD12  LEU  84          2HD1      LEU  84  -4.226  -1.919  15.379
  663   HD13  LEU  84          3HD1      LEU  84  -2.669  -1.113  15.686
  664   HD21  LEU  84          3HD2      LEU  84  -1.934   0.752  14.275
  665   HD22  LEU  84          1HD2      LEU  84  -2.856   1.225  12.824
  666   HD23  LEU  84          2HD2      LEU  84  -3.472   1.613  14.439
  667    H    LEU  85           H        LEU  85  -0.144  -2.638  11.092
  668    HA   LEU  85           HA       LEU  85  -1.118  -5.344  10.501
  669    HB2  LEU  85           2HB      LEU  85   1.342  -3.818   9.602
  670    HB3  LEU  85           3HB      LEU  85   0.862  -5.380   8.967
  671    HG   LEU  85           HG       LEU  85  -0.852  -2.867   8.717
  672   HD11  LEU  85          1HD1      LEU  85   1.028  -4.179   6.702
  673   HD12  LEU  85          2HD1      LEU  85  -0.041  -2.795   6.392
  674   HD13  LEU  85          3HD1      LEU  85   1.312  -2.627   7.522
  675   HD21  LEU  85          3HD2      LEU  85  -2.179  -4.874   8.489
  676   HD22  LEU  85          1HD2      LEU  85  -1.944  -4.123   6.908
  677   HD23  LEU  85          2HD2      LEU  85  -1.005  -5.561   7.336
  678    H    ALA  86           H        ALA  86   0.572  -7.180  10.465
  679    HA   ALA  86           HA       ALA  86   1.678  -7.632  13.101
  680    HB1  ALA  86           1HB      ALA  86   2.500  -9.719  12.125
  681    HB2  ALA  86           2HB      ALA  86   0.821  -9.445  11.620
  682    HB3  ALA  86           3HB      ALA  86   2.156  -9.126  10.488
  683    H    THR  87           H        THR  87   3.866  -7.719  13.735
  684    HA   THR  87           HA       THR  87   5.596  -5.704  12.906
  685    HB   THR  87           HB       THR  87   6.461  -8.341  14.127
  686    HG1  THR  87           1HG      THR  87   5.936  -7.368  16.097
  687   HG21  THR  87          1HG2      THR  87   8.347  -6.825  13.602
  688   HG22  THR  87          2HG2      THR  87   7.526  -5.489  14.440
  689   HG23  THR  87          3HG2      THR  87   8.098  -6.908  15.350
  690    H    GLU  88           H        GLU  88   5.565  -9.107  11.763
  691    HA   GLU  88           HA       GLU  88   7.945  -8.892  10.176
  692    HB2  GLU  88           2HB      GLU  88   7.266 -10.980   9.178
  693    HB3  GLU  88           3HB      GLU  88   7.038 -11.023  10.925
  694    HG2  GLU  88           2HG      GLU  88   4.579 -10.575  10.571
  695    HG3  GLU  88           3HG      GLU  88   4.850 -10.669   8.830
  696    H    ASP  89           H        ASP  89   4.596  -7.963   9.448
  697    HA   ASP  89           HA       ASP  89   5.197  -7.506   6.591
  698    HB2  ASP  89           2HB      ASP  89   2.751  -6.979   8.304
  699    HB3  ASP  89           3HB      ASP  89   2.888  -6.484   6.620
  700    H    LYS  90           H        LYS  90   4.842  -5.569   9.564
  701    HA   LYS  90           HA       LYS  90   5.265  -2.972   8.400
  702    HB2  LYS  90           2HB      LYS  90   5.839  -4.136  11.157
  703    HB3  LYS  90           3HB      LYS  90   6.106  -2.430  10.768
  704    HG2  LYS  90           2HG      LYS  90   3.828  -2.014  10.344
  705    HG3  LYS  90           3HG      LYS  90   3.440  -3.725  10.182
  706    HD2  LYS  90           2HD      LYS  90   2.506  -2.904  12.217
  707    HD3  LYS  90           3HD      LYS  90   3.756  -4.100  12.570
  708    HE2  LYS  90           2HE      LYS  90   5.336  -2.287  13.151
  709    HE3  LYS  90           3HE      LYS  90   4.119  -1.079  12.713
  710    HZ1  LYS  90           3HZ      LYS  90   3.847  -3.071  14.910
  711    HZ2  LYS  90           1HZ      LYS  90   4.110  -1.474  15.113
  712    HZ3  LYS  90           2HZ      LYS  90   2.686  -2.000  14.490
  713    H    GLU  91           H        GLU  91   7.591  -5.415   9.560
  714    HA   GLU  91           HA       GLU  91   9.961  -3.953   8.772
  715    HB2  GLU  91           2HB      GLU  91   9.348  -6.894   9.261
  716    HB3  GLU  91           3HB      GLU  91  10.937  -6.352   8.736
  717    HG2  GLU  91           2HG      GLU  91   9.522  -5.400  11.257
  718    HG3  GLU  91           3HG      GLU  91  10.787  -6.629  11.194
  719    H    ALA  92           H        ALA  92   8.057  -6.477   7.032
  720    HA   ALA  92           HA       ALA  92   9.745  -6.540   4.777
  721    HB1  ALA  92           1HB      ALA  92   8.131  -8.283   5.333
  722    HB2  ALA  92           2HB      ALA  92   6.783  -7.173   4.970
  723    HB3  ALA  92           3HB      ALA  92   7.884  -7.698   3.677
  724    H    LEU  93           H        LEU  93   6.969  -4.341   5.382
  725    HA   LEU  93           HA       LEU  93   6.899  -3.234   2.717
  726    HB2  LEU  93           2HB      LEU  93   5.962  -2.264   5.438
  727    HB3  LEU  93           3HB      LEU  93   5.717  -1.318   3.973
  728    HG   LEU  93           HG       LEU  93   4.637  -4.146   4.337
  729   HD11  LEU  93          1HD1      LEU  93   3.246  -1.448   4.619
  730   HD12  LEU  93          2HD1      LEU  93   2.465  -3.042   4.700
  731   HD13  LEU  93          3HD1      LEU  93   3.627  -2.573   5.947
  732   HD21  LEU  93          3HD2      LEU  93   3.190  -3.558   2.433
  733   HD22  LEU  93          1HD2      LEU  93   4.015  -1.992   2.277
  734   HD23  LEU  93          2HD2      LEU  93   4.891  -3.510   1.970
  735    H    LYS  94           H        LYS  94   8.648  -2.195   5.689
  736    HA   LYS  94           HA       LYS  94  10.024   0.025   4.444
  737    HB2  LYS  94           2HB      LYS  94  10.753  -1.730   6.821
  738    HB3  LYS  94           3HB      LYS  94  11.595  -0.245   6.370
  739    HG2  LYS  94           2HG      LYS  94   9.541   1.074   6.728
  740    HG3  LYS  94           3HG      LYS  94   8.656  -0.379   7.188
  741    HD2  LYS  94           2HD      LYS  94  11.058   0.799   8.654
  742    HD3  LYS  94           3HD      LYS  94   9.367   0.888   9.171
  743    HE2  LYS  94           2HE      LYS  94   9.277  -1.580   9.368
  744    HE3  LYS  94           3HE      LYS  94  10.960  -1.690   8.841
  745    HZ1  LYS  94           3HZ      LYS  94  11.584  -0.401  10.825
  746    HZ2  LYS  94           1HZ      LYS  94  10.031  -0.425  11.353
  747    HZ3  LYS  94           2HZ      LYS  94  10.879  -1.828  11.193
  748    H    LYS  95           H        LYS  95  10.855  -3.445   4.878
  749    HA   LYS  95           HA       LYS  95  13.474  -3.221   3.794
  750    HB2  LYS  95           2HB      LYS  95  11.573  -5.530   4.192
  751    HB3  LYS  95           3HB      LYS  95  13.115  -5.789   3.377
  752    HG2  LYS  95           2HG      LYS  95  14.399  -5.095   5.231
  753    HG3  LYS  95           3HG      LYS  95  13.011  -4.375   6.064
  754    HD2  LYS  95           2HD      LYS  95  12.080  -6.493   6.618
  755    HD3  LYS  95           3HD      LYS  95  13.098  -7.345   5.458
  756    HE2  LYS  95           2HE      LYS  95  13.811  -7.728   7.787
  757    HE3  LYS  95           3HE      LYS  95  15.070  -7.038   6.762
  758    HZ1  LYS  95           3HZ      LYS  95  14.590  -4.855   7.776
  759    HZ2  LYS  95           1HZ      LYS  95  13.481  -5.513   8.788
  760    HZ3  LYS  95           2HZ      LYS  95  15.039  -5.943   8.900
  761    H    GLN  96           H        GLN  96  10.458  -3.419   2.077
  762    HA   GLN  96           HA       GLN  96  11.820  -3.768  -0.545
  763    HB2  GLN  96           2HB      GLN  96   8.896  -3.645   0.266
  764    HB3  GLN  96           3HB      GLN  96   9.474  -3.811  -1.399
  765    HG2  GLN  96           2HG      GLN  96  10.481  -5.947  -0.974
  766    HG3  GLN  96           3HG      GLN  96  10.230  -5.809   0.767
  767   HE21  GLN  96          2HE2      GLN  96   7.970  -5.725   1.558
  768   HE22  GLN  96          1HE2      GLN  96   6.741  -6.619   0.647
  769    H    LEU  97           H        LEU  97  10.255  -1.249   1.400
  770    HA   LEU  97           HA       LEU  97  11.169   0.800  -0.542
  771    HB2  LEU  97           2HB      LEU  97   8.812   0.213  -0.999
  772    HB3  LEU  97           3HB      LEU  97   8.384   0.582   0.664
  773    HG   LEU  97           HG       LEU  97   9.027   2.992   0.252
  774   HD11  LEU  97          1HD1      LEU  97   9.390   2.020  -2.606
  775   HD12  LEU  97          2HD1      LEU  97   9.303   3.725  -2.092
  776   HD13  LEU  97          3HD1      LEU  97  10.653   2.719  -1.564
  777   HD21  LEU  97          3HD2      LEU  97   7.100   3.444  -1.263
  778   HD22  LEU  97          1HD2      LEU  97   6.999   1.711  -1.621
  779   HD23  LEU  97          2HD2      LEU  97   6.738   2.306   0.039
  780    HA   PRO  98           HA       PRO  98  12.090   1.854   3.841
  781    HB2  PRO  98           2HB      PRO  98  14.851   1.882   3.794
  782    HB3  PRO  98           3HB      PRO  98  13.861   0.432   4.070
  783    HG2  PRO  98           2HG      PRO  98  15.376   1.217   1.625
  784    HG3  PRO  98           3HG      PRO  98  14.854  -0.408   2.173
  785    HD2  PRO  98           2HD      PRO  98  13.618   1.257   0.186
  786    HD3  PRO  98           3HD      PRO  98  13.056  -0.311   0.825
  787    H    GLY  99           H        GLY  99  12.364   3.954   4.647
  788    HA2  GLY  99           2HA      GLY  99  13.300   6.114   2.835
  789    HA3  GLY  99           3HA      GLY  99  12.350   6.298   4.293
  790    H    VAL 100           H        VAL 100  13.910   7.978   4.523
  791    HA   VAL 100           HA       VAL 100  16.674   7.512   5.265
  792    HB   VAL 100           HB       VAL 100  14.865   9.937   5.661
  793   HG11  VAL 100          1HG1      VAL 100  17.889   9.706   5.989
  794   HG12  VAL 100          2HG1      VAL 100  16.981  11.231   5.930
  795   HG13  VAL 100          3HG1      VAL 100  16.704  10.111   7.261
  796   HG21  VAL 100          3HG2      VAL 100  16.086  10.886   3.747
  797   HG22  VAL 100          1HG2      VAL 100  17.024   9.382   3.580
  798   HG23  VAL 100          2HG2      VAL 100  15.273   9.392   3.291
  799    H    LYS 101           H        LYS 101  17.598   7.171   7.072
  800    HA   LYS 101           HA       LYS 101  16.072   7.237   9.635
  801    HB2  LYS 101           2HB      LYS 101  16.380   4.931   8.313
  802    HB3  LYS 101           3HB      LYS 101  17.993   4.997   9.023
  803    HG2  LYS 101           2HG      LYS 101  16.603   5.532  11.258
  804    HG3  LYS 101           3HG      LYS 101  15.254   4.923  10.322
  805    HD2  LYS 101           2HD      LYS 101  16.274   3.199  11.808
  806    HD3  LYS 101           3HD      LYS 101  16.302   2.734  10.109
  807    HE2  LYS 101           2HE      LYS 101  18.394   2.159  11.328
  808    HE3  LYS 101           3HE      LYS 101  18.663   3.180   9.918
  809    HZ1  LYS 101           3HZ      LYS 101  18.891   5.097  11.398
  810    HZ2  LYS 101           1HZ      LYS 101  18.539   4.190  12.714
  811    HZ3  LYS 101           2HZ      LYS 101  19.927   3.923  11.882
  812    H    SER 102           H        SER 102  18.302   8.946   8.401
  813    HA   SER 102           HA       SER 102  20.711   8.551   9.837
  814    HB2  SER 102           2HB      SER 102  19.625  11.146   8.687
  815    HB3  SER 102           3HB      SER 102  21.322  10.758   9.032
  816    HG   SER 102           HG       SER 102  20.836  10.435   6.824
  817    H    GLU 103           H        GLU 103  17.754  10.045  10.928
  818    HA   GLU 103           HA       GLU 103  18.807  11.546  13.163
  819    HB2  GLU 103           2HB      GLU 103  16.635  11.953  12.214
  820    HB3  GLU 103           3HB      GLU 103  16.088  10.318  12.536
  821    HG2  GLU 103           2HG      GLU 103  16.978  11.951  14.911
  822    HG3  GLU 103           3HG      GLU 103  15.527  12.476  14.074
  823    H    GLY 104           H        GLY 104  18.182   8.130  12.648
  824    HA2  GLY 104           2HA      GLY 104  19.566   6.650  14.120
  825    HA3  GLY 104           3HA      GLY 104  18.847   7.480  15.501
  826    H    LYS 105           H        LYS 105  16.225   7.589  15.081
  827    HA   LYS 105           HA       LYS 105  15.254   4.785  14.587
  828    HB2  LYS 105           2HB      LYS 105  15.004   6.341  17.198
  829    HB3  LYS 105           3HB      LYS 105  14.161   4.829  16.838
  830    HG2  LYS 105           2HG      LYS 105  16.362   3.682  16.562
  831    HG3  LYS 105           3HG      LYS 105  17.173   5.176  17.076
  832    HD2  LYS 105           2HD      LYS 105  15.960   5.107  19.234
  833    HD3  LYS 105           3HD      LYS 105  15.156   3.602  18.731
  834    HE2  LYS 105           2HE      LYS 105  17.373   2.500  18.499
  835    HE3  LYS 105           3HE      LYS 105  18.173   3.995  19.001
  836    HZ1  LYS 105           3HZ      LYS 105  16.298   2.417  20.688
  837    HZ2  LYS 105           1HZ      LYS 105  17.919   2.460  20.864
  838    HZ3  LYS 105           2HZ      LYS 105  17.037   3.801  21.152
  839    H    ARG 106           H        ARG 106  14.604   8.052  14.182
  840    HA   ARG 106           HA       ARG 106  12.815   9.383  13.811
  841    HB2  ARG 106           2HB      ARG 106  11.371   6.859  12.916
  842    HB3  ARG 106           3HB      ARG 106  10.720   8.498  12.811
  843    HG2  ARG 106           2HG      ARG 106  12.647   9.183  11.396
  844    HG3  ARG 106           3HG      ARG 106  13.233   7.507  11.403
  845    HD2  ARG 106           2HD      ARG 106  11.183   6.738  10.316
  846    HD3  ARG 106           3HD      ARG 106  10.460   8.344  10.463
  847    HE   ARG 106           HE       ARG 106  12.934   7.839   8.823
  848   HH11  ARG 106          1HH2      ARG 106   9.701   9.283   8.915
  849   HH12  ARG 106          2HH2      ARG 106   9.941  10.023   7.356
  850   HH21  ARG 106          1HH1      ARG 106  13.116   8.826   6.951
  851   HH22  ARG 106          2HH1      ARG 106  11.799   9.828   6.312
  852    H    LYS 107           H        LYS 107  13.388   9.173  16.204
  853    HA   LYS 107           HA       LYS 107  10.930   8.634  17.842
  854    HB2  LYS 107           2HB      LYS 107  13.881   8.336  18.452
  855    HB3  LYS 107           3HB      LYS 107  12.748   8.616  19.767
  856    HG2  LYS 107           2HG      LYS 107  12.356   6.362  17.762
  857    HG3  LYS 107           3HG      LYS 107  13.293   6.181  19.253
  858    HD2  LYS 107           2HD      LYS 107  11.347   6.753  20.622
  859    HD3  LYS 107           3HD      LYS 107  10.371   7.059  19.175
  860    HE2  LYS 107           2HE      LYS 107  10.666   4.708  18.464
  861    HE3  LYS 107           3HE      LYS 107  11.606   4.378  19.929
  862    HZ1  LYS 107           3HZ      LYS 107   9.213   3.789  20.137
  863    HZ2  LYS 107           1HZ      LYS 107   9.647   4.911  21.245
  864    HZ3  LYS 107           2HZ      LYS 107   8.796   5.363  19.926
  865    H    GLY 108           H        GLY 108  12.803  11.219  16.660
  866    HA2  GLY 108           2HA      GLY 108  12.616  13.174  18.640
  867    HA3  GLY 108           3HA      GLY 108  12.443  13.463  16.894
  868    H    ASP 109           H        ASP 109   9.981  11.885  16.728
  869    HA   ASP 109           HA       ASP 109   7.961  13.856  17.409
  870    HB2  ASP 109           2HB      ASP 109   8.031  12.449  15.370
  871    HB3  ASP 109           3HB      ASP 109   7.868  11.003  16.356
  872    H    GLU 110           H        GLU 110   9.394  11.376  19.272
  873    HA   GLU 110           HA       GLU 110   6.991  11.165  21.024
  874    HB2  GLU 110           2HB      GLU 110   8.959   8.919  20.470
  875    HB3  GLU 110           3HB      GLU 110   7.380   8.823  21.263
  876    HG2  GLU 110           2HG      GLU 110   6.372   9.577  19.028
  877    HG3  GLU 110           3HG      GLU 110   7.970   9.305  18.315
  878    H    VAL 111           H        VAL 111  10.466  11.403  20.947
  879    HA   VAL 111           HA       VAL 111  10.738  10.919  23.833
  880    HB   VAL 111           HB       VAL 111  12.190   9.940  21.968
  881   HG11  VAL 111          1HG1      VAL 111  14.132  11.149  21.242
  882   HG12  VAL 111          2HG1      VAL 111  12.715  12.135  20.847
  883   HG13  VAL 111          3HG1      VAL 111  13.723  12.555  22.243
  884   HG21  VAL 111          3HG2      VAL 111  13.644  11.168  24.330
  885   HG22  VAL 111          1HG2      VAL 111  12.688   9.669  24.359
  886   HG23  VAL 111          2HG2      VAL 111  14.146   9.773  23.359
  887    H    ASP 112           H        ASP 112  10.158  13.622  22.059
  888    HA   ASP 112           HA       ASP 112  11.807  15.580  23.478
  889    HB2  ASP 112           2HB      ASP 112  11.221  15.874  21.123
  890    HB3  ASP 112           3HB      ASP 112   9.508  15.926  21.527
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1   4.102  22.973  11.566
    2    H2   GLY   1           H2       GLY   1   4.618  22.916  10.014
    3    H3   GLY   1           H3       GLY   1   5.708  22.954  11.237
    4    HA2  GLY   1           2HA      GLY   1   5.564  20.730  10.331
    5    HA3  GLY   1           3HA      GLY   1   5.027  20.792  12.020
    6    H    SER   2           H        SER   2   4.315  18.810  10.026
    7    HA   SER   2           HA       SER   2   1.715  19.219   8.933
    8    HB2  SER   2           2HB      SER   2   3.088  16.613   9.694
    9    HB3  SER   2           3HB      SER   2   1.706  16.792   8.595
   10    HG   SER   2           HG       SER   2   3.715  16.677   7.469
   11    H    LYS   3           H        LYS   3  -0.327  18.506   9.542
   12    HA   LYS   3           HA       LYS   3  -0.893  18.457  12.419
   13    HB2  LYS   3           2HB      LYS   3  -2.745  18.167  10.014
   14    HB3  LYS   3           3HB      LYS   3  -3.263  18.393  11.675
   15    HG2  LYS   3           2HG      LYS   3  -1.735  20.389   9.953
   16    HG3  LYS   3           3HG      LYS   3  -3.419  20.484  10.443
   17    HD2  LYS   3           2HD      LYS   3  -0.998  20.734  12.280
   18    HD3  LYS   3           3HD      LYS   3  -2.048  22.037  11.723
   19    HE2  LYS   3           2HE      LYS   3  -3.988  20.971  12.872
   20    HE3  LYS   3           3HE      LYS   3  -2.922  19.694  13.475
   21    HZ1  LYS   3           3HZ      LYS   3  -1.658  21.407  14.669
   22    HZ2  LYS   3           1HZ      LYS   3  -2.648  22.584  14.114
   23    HZ3  LYS   3           2HZ      LYS   3  -3.223  21.444  15.127
   24    H    ALA   4           H        ALA   4  -0.580  15.989   9.977
   25    HA   ALA   4           HA       ALA   4  -1.896  13.899  11.532
   26    HB1  ALA   4           1HB      ALA   4  -0.076  13.756   9.095
   27    HB2  ALA   4           2HB      ALA   4  -1.031  12.416   9.763
   28    HB3  ALA   4           3HB      ALA   4  -1.854  13.829   9.077
   29    H    GLU   5           H        GLU   5  -0.948  12.261  12.722
   30    HA   GLU   5           HA       GLU   5   1.646  12.954  13.959
   31    HB2  GLU   5           2HB      GLU   5  -0.533  10.996  14.767
   32    HB3  GLU   5           3HB      GLU   5   0.915  11.364  15.710
   33    HG2  GLU   5           2HG      GLU   5   0.226  13.760  15.821
   34    HG3  GLU   5           3HG      GLU   5  -1.270  13.357  14.974
   35    H    LYS   6           H        LYS   6   0.789  10.884  11.486
   36    HA   LYS   6           HA       LYS   6   3.216   9.187  11.811
   37    HB2  LYS   6           2HB      LYS   6   1.341   8.023  12.960
   38    HB3  LYS   6           3HB      LYS   6   0.406   8.038  11.464
   39    HG2  LYS   6           2HG      LYS   6   2.272   6.691  10.376
   40    HG3  LYS   6           3HG      LYS   6   3.045   6.584  11.960
   41    HD2  LYS   6           2HD      LYS   6   0.327   5.495  11.114
   42    HD3  LYS   6           3HD      LYS   6   1.762   4.551  11.498
   43    HE2  LYS   6           2HE      LYS   6   0.163   6.258  13.473
   44    HE3  LYS   6           3HE      LYS   6   0.039   4.509  13.296
   45    HZ1  LYS   6           3HZ      LYS   6   2.519   5.923  14.125
   46    HZ2  LYS   6           1HZ      LYS   6   1.520   5.101  15.122
   47    HZ3  LYS   6           2HZ      LYS   6   2.343   4.299  13.959
   48    H    THR   7           H        THR   7   0.313   9.403   9.751
   49    HA   THR   7           HA       THR   7   1.702   8.569   7.400
   50    HB   THR   7           HB       THR   7  -1.052   9.806   7.559
   51    HG1  THR   7           1HG      THR   7  -1.795   7.992   8.364
   52   HG21  THR   7          1HG2      THR   7  -1.627   8.624   5.651
   53   HG22  THR   7          2HG2      THR   7   0.039   8.965   5.262
   54   HG23  THR   7          3HG2      THR   7  -0.363   7.393   5.893
   55    H    LEU   8           H        LEU   8   2.136   9.701   5.435
   56    HA   LEU   8           HA       LEU   8   2.431  12.595   5.576
   57    HB2  LEU   8           2HB      LEU   8   3.466  12.533   3.582
   58    HB3  LEU   8           3HB      LEU   8   3.794  10.910   4.154
   59    HG   LEU   8           HG       LEU   8   1.700  11.740   2.077
   60   HD11  LEU   8          1HD1      LEU   8   4.036  11.837   1.292
   61   HD12  LEU   8          2HD1      LEU   8   4.270  10.148   1.791
   62   HD13  LEU   8          3HD1      LEU   8   3.122  10.548   0.498
   63   HD21  LEU   8          3HD2      LEU   8   0.866   9.762   3.273
   64   HD22  LEU   8          1HD2      LEU   8   1.440   9.302   1.673
   65   HD23  LEU   8          2HD2      LEU   8   2.439   8.981   3.112
   66    H    GLY   9           H        GLY   9  -0.326  10.725   5.096
   67    HA2  GLY   9           2HA      GLY   9  -2.500  11.538   5.047
   68    HA3  GLY   9           3HA      GLY   9  -1.942  13.077   4.406
   69    H    ASP  10           H        ASP  10  -0.920  10.141   2.650
   70    HA   ASP  10           HA       ASP  10  -2.994  10.704   0.597
   71    HB2  ASP  10           2HB      ASP  10  -0.564  11.895   0.433
   72    HB3  ASP  10           3HB      ASP  10  -0.187  10.359  -0.362
   73    H    PHE  11           H        PHE  11  -1.058   8.248   2.158
   74    HA   PHE  11           HA       PHE  11  -2.472   6.271   0.537
   75    HB2  PHE  11           2HB      PHE  11  -0.287   4.930   0.269
   76    HB3  PHE  11           3HB      PHE  11  -0.707   6.196  -0.837
   77    HD1  PHE  11           HD2      PHE  11   1.282   6.050   2.416
   78    HD2  PHE  11           HD1      PHE  11   1.050   7.370  -1.687
   79    HE1  PHE  11           HE2      PHE  11   3.637   6.790   2.516
   80    HE2  PHE  11           HE1      PHE  11   3.379   8.196  -1.543
   81    HZ   PHE  11           HZ       PHE  11   4.690   7.876   0.549
   82    H    ALA  12           H        ALA  12  -2.497   4.123   1.341
   83    HA   ALA  12           HA       ALA  12  -2.400   3.969   4.319
   84    HB1  ALA  12           1HB      ALA  12  -4.756   3.310   2.514
   85    HB2  ALA  12           2HB      ALA  12  -4.724   3.206   4.281
   86    HB3  ALA  12           3HB      ALA  12  -4.609   4.789   3.473
   87    H    ALA  13           H        ALA  13  -2.590   1.838   5.225
   88    HA   ALA  13           HA       ALA  13  -2.123  -0.470   3.395
   89    HB1  ALA  13           1HB      ALA  13  -0.589   0.205   5.945
   90    HB2  ALA  13           2HB      ALA  13  -0.313  -1.187   4.861
   91    HB3  ALA  13           3HB      ALA  13  -0.002   0.468   4.291
   92    H    GLU  14           H        GLU  14  -3.007  -2.428   4.040
   93    HA   GLU  14           HA       GLU  14  -4.277  -2.863   6.630
   94    HB2  GLU  14           2HB      GLU  14  -5.833  -1.415   5.022
   95    HB3  GLU  14           3HB      GLU  14  -6.030  -2.936   4.151
   96    HG2  GLU  14           2HG      GLU  14  -6.894  -3.968   6.292
   97    HG3  GLU  14           3HG      GLU  14  -6.628  -2.429   7.106
   98    H    TYR  15           H        TYR  15  -5.518  -5.135   6.343
   99    HA   TYR  15           HA       TYR  15  -4.106  -6.878   4.362
  100    HB2  TYR  15           2HB      TYR  15  -5.730  -7.647   6.786
  101    HB3  TYR  15           3HB      TYR  15  -5.099  -8.766   5.581
  102    HD1  TYR  15           HD2      TYR  15  -4.173  -6.402   8.279
  103    HD2  TYR  15           HD1      TYR  15  -2.696  -9.266   5.420
  104    HE1  TYR  15           HE2      TYR  15  -2.021  -6.540   9.514
  105    HE2  TYR  15           HE1      TYR  15  -0.484  -9.297   6.598
  106    HH   TYR  15           HH       TYR  15   0.753  -8.443   8.272
  107    H    ALA  16           H        ALA  16  -5.268  -8.127   2.935
  108    HA   ALA  16           HA       ALA  16  -7.432  -6.772   1.700
  109    HB1  ALA  16           1HB      ALA  16  -6.195  -9.479   1.222
  110    HB2  ALA  16           2HB      ALA  16  -7.314  -8.660   0.103
  111    HB3  ALA  16           3HB      ALA  16  -5.725  -7.946   0.463
  112    H    LYS  17           H        LYS  17  -9.296  -6.642   2.853
  113    HA   LYS  17           HA       LYS  17 -10.471  -8.789   4.367
  114    HB2  LYS  17           2HB      LYS  17 -11.435  -6.052   3.455
  115    HB3  LYS  17           3HB      LYS  17 -12.463  -7.139   4.400
  116    HG2  LYS  17           2HG      LYS  17 -10.916  -7.203   6.236
  117    HG3  LYS  17           3HG      LYS  17  -9.677  -6.328   5.326
  118    HD2  LYS  17           2HD      LYS  17 -10.997  -4.303   5.299
  119    HD3  LYS  17           3HD      LYS  17 -12.386  -5.132   6.040
  120    HE2  LYS  17           2HE      LYS  17 -11.174  -5.519   8.093
  121    HE3  LYS  17           3HE      LYS  17  -9.653  -4.973   7.376
  122    HZ1  LYS  17           3HZ      LYS  17 -10.460  -2.755   7.272
  123    HZ2  LYS  17           1HZ      LYS  17 -11.992  -3.179   7.720
  124    HZ3  LYS  17           2HZ      LYS  17 -10.756  -3.274   8.787
  125    H    SER  18           H        SER  18 -10.717  -8.072   0.989
  126    HA   SER  18           HA       SER  18 -12.168 -10.582   0.653
  127    HB2  SER  18           2HB      SER  18 -14.023  -8.907   0.789
  128    HB3  SER  18           3HB      SER  18 -13.333  -8.068  -0.621
  129    HG   SER  18           HG       SER  18 -15.029  -9.795  -0.931
  130    H    ASN  19           H        ASN  19 -11.911 -11.495  -1.380
  131    HA   ASN  19           HA       ASN  19  -9.685 -10.628  -3.041
  132    HB2  ASN  19           2HB      ASN  19 -10.223 -13.006  -2.566
  133    HB3  ASN  19           3HB      ASN  19 -11.775 -12.814  -3.395
  134   HD21  ASN  19          2HD2      ASN  19  -8.383 -11.818  -4.320
  135   HD22  ASN  19          1HD2      ASN  19  -8.415 -12.803  -5.775
  136    H    ARG  20           H        ARG  20 -12.852  -9.521  -2.835
  137    HA   ARG  20           HA       ARG  20 -13.269  -8.665  -5.581
  138    HB2  ARG  20           2HB      ARG  20 -14.180  -7.468  -2.919
  139    HB3  ARG  20           3HB      ARG  20 -14.756  -6.943  -4.496
  140    HG2  ARG  20           2HG      ARG  20 -15.178  -9.730  -3.330
  141    HG3  ARG  20           3HG      ARG  20 -16.361  -8.417  -3.361
  142    HD2  ARG  20           2HD      ARG  20 -16.228  -8.414  -5.854
  143    HD3  ARG  20           3HD      ARG  20 -15.134  -9.815  -5.764
  144    HE   ARG  20           HE       ARG  20 -17.446 -10.466  -4.278
  145   HH11  ARG  20          1HH2      ARG  20 -16.698  -9.870  -7.650
  146   HH12  ARG  20          2HH2      ARG  20 -17.998 -10.885  -8.212
  147   HH21  ARG  20          1HH1      ARG  20 -19.086 -11.743  -5.064
  148   HH22  ARG  20          2HH1      ARG  20 -19.310 -11.915  -6.780
  149    H    SER  21           H        SER  21 -11.005  -7.644  -3.164
  150    HA   SER  21           HA       SER  21 -10.396  -5.002  -4.144
  151    HB2  SER  21           2HB      SER  21  -8.497  -7.031  -2.902
  152    HB3  SER  21           3HB      SER  21  -8.265  -5.272  -3.017
  153    HG   SER  21           HG       SER  21 -10.041  -6.777  -1.423
  154    H    THR  22           H        THR  22  -9.096  -4.336  -5.875
  155    HA   THR  22           HA       THR  22  -7.584  -6.399  -7.418
  156    HB   THR  22           HB       THR  22  -9.332  -4.282  -8.664
  157    HG1  THR  22           1HG      THR  22 -10.546  -6.016  -7.904
  158   HG21  THR  22          1HG2      THR  22  -8.847  -5.414 -10.811
  159   HG22  THR  22          2HG2      THR  22  -7.384  -4.729 -10.105
  160   HG23  THR  22          3HG2      THR  22  -7.694  -6.477  -9.987
  161    H    CYS  23           HN       CYS  23  -5.663  -5.819  -8.107
  162    HA   CYS  23           HA       CYS  23  -4.443  -3.435  -7.055
  163    HB2  CYS  23           2HB      CYS  23  -3.372  -5.595  -7.079
  164    HB3  CYS  23           3HB      CYS  23  -3.591  -5.723  -8.826
  165    H    LYS  24           H        LYS  24  -4.785  -1.565  -7.953
  166    HA   LYS  24           HA       LYS  24  -5.249  -1.094 -10.789
  167    HB2  LYS  24           2HB      LYS  24  -4.651   0.813  -8.512
  168    HB3  LYS  24           3HB      LYS  24  -5.278   1.263 -10.103
  169    HG2  LYS  24           2HG      LYS  24  -6.721  -0.408  -7.983
  170    HG3  LYS  24           3HG      LYS  24  -7.081   1.244  -8.437
  171    HD2  LYS  24           2HD      LYS  24  -7.690   0.476 -10.737
  172    HD3  LYS  24           3HD      LYS  24  -7.443  -1.207 -10.200
  173    HE2  LYS  24           2HE      LYS  24  -9.147  -0.931  -8.449
  174    HE3  LYS  24           3HE      LYS  24  -9.380   0.760  -8.910
  175    HZ1  LYS  24           3HZ      LYS  24 -10.163  -0.001 -11.089
  176    HZ2  LYS  24           1HZ      LYS  24  -9.951  -1.569 -10.672
  177    HZ3  LYS  24           2HZ      LYS  24 -11.072  -0.662  -9.910
  178    H    GLY  25           H        GLY  25  -2.459  -1.763  -9.010
  179    HA2  GLY  25           2HA      GLY  25  -0.512  -0.299 -10.612
  180    HA3  GLY  25           3HA      GLY  25  -0.210  -1.676  -9.548
  181    H    CYS  26           HN       CYS  26  -1.673  -3.694 -10.629
  182    HA   CYS  26           HA       CYS  26  -0.537  -3.988 -13.367
  183    HB2  CYS  26           2HB      CYS  26   0.281  -6.126 -12.937
  184    HB3  CYS  26           3HB      CYS  26   0.854  -5.079 -11.641
  185    H    MET  27           H        MET  27  -3.516  -3.956 -11.991
  186    HA   MET  27           HA       MET  27  -5.572  -4.594 -12.622
  187    HB2  MET  27           2HB      MET  27  -4.357  -5.221 -15.326
  188    HB3  MET  27           3HB      MET  27  -6.076  -5.130 -14.983
  189    HG2  MET  27           2HG      MET  27  -4.288  -2.745 -14.465
  190    HG3  MET  27           3HG      MET  27  -4.883  -3.139 -16.071
  191    HE1  MET  27           3HE      MET  27  -6.417  -2.701 -12.323
  192    HE2  MET  27           1HE      MET  27  -5.453  -1.326 -12.912
  193    HE3  MET  27           2HE      MET  27  -7.213  -1.163 -12.703
  194    H    GLU  28           H        GLU  28  -4.398  -6.379 -11.006
  195    HA   GLU  28           HA       GLU  28  -5.789  -8.859 -11.861
  196    HB2  GLU  28           2HB      GLU  28  -2.991  -8.852 -10.663
  197    HB3  GLU  28           3HB      GLU  28  -4.059 -10.253 -10.755
  198    HG2  GLU  28           2HG      GLU  28  -4.165  -9.913 -13.272
  199    HG3  GLU  28           3HG      GLU  28  -2.894  -8.699 -13.097
  200    H    LYS  29           H        LYS  29  -6.693 -10.078 -10.165
  201    HA   LYS  29           HA       LYS  29  -7.654  -8.367  -8.064
  202    HB2  LYS  29           2HB      LYS  29  -9.032 -10.229  -7.362
  203    HB3  LYS  29           3HB      LYS  29  -9.134  -9.939  -9.096
  204    HG2  LYS  29           2HG      LYS  29  -7.543 -11.878  -9.465
  205    HG3  LYS  29           3HG      LYS  29  -7.559 -12.163  -7.722
  206    HD2  LYS  29           2HD      LYS  29  -9.086 -13.706  -8.698
  207    HD3  LYS  29           3HD      LYS  29 -10.054 -12.490  -7.849
  208    HE2  LYS  29           2HE      LYS  29 -10.500 -11.335  -9.997
  209    HE3  LYS  29           3HE      LYS  29  -9.486 -12.507 -10.848
  210    HZ1  LYS  29           3HZ      LYS  29 -11.984 -13.173  -9.380
  211    HZ2  LYS  29           1HZ      LYS  29 -11.842 -13.085 -11.003
  212    HZ3  LYS  29           2HZ      LYS  29 -11.051 -14.249 -10.180
  213    H    ILE  30           H        ILE  30  -7.183  -8.180  -6.005
  214    HA   ILE  30           HA       ILE  30  -4.613  -9.229  -5.087
  215    HB   ILE  30           HB       ILE  30  -6.626  -7.323  -3.895
  216   HG12  ILE  30          2HG1      ILE  30  -3.778  -6.773  -4.815
  217   HG13  ILE  30          3HG1      ILE  30  -5.137  -6.693  -5.923
  218   HG21  ILE  30          1HG2      ILE  30  -4.929  -6.798  -2.163
  219   HG22  ILE  30          2HG2      ILE  30  -5.497  -8.455  -2.019
  220   HG23  ILE  30          3HG2      ILE  30  -3.912  -8.118  -2.765
  221   HD11  ILE  30          3HD1      ILE  30  -4.577  -4.487  -5.135
  222   HD12  ILE  30          1HD1      ILE  30  -6.194  -4.933  -4.568
  223   HD13  ILE  30          2HD1      ILE  30  -4.804  -4.959  -3.448
  224    H    GLU  31           H        GLU  31  -4.213 -10.802  -3.586
  225    HA   GLU  31           HA       GLU  31  -6.295 -12.759  -3.162
  226    HB2  GLU  31           2HB      GLU  31  -3.535 -12.693  -1.899
  227    HB3  GLU  31           3HB      GLU  31  -4.623 -14.074  -2.051
  228    HG2  GLU  31           2HG      GLU  31  -4.406 -13.752  -4.598
  229    HG3  GLU  31           3HG      GLU  31  -3.097 -12.613  -4.224
  230    H    LYS  32           H        LYS  32  -7.512 -13.142  -1.408
  231    HA   LYS  32           HA       LYS  32  -7.838 -11.180   0.667
  232    HB2  LYS  32           2HB      LYS  32  -9.603 -12.760  -0.209
  233    HB3  LYS  32           3HB      LYS  32  -8.808 -14.065   0.681
  234    HG2  LYS  32           2HG      LYS  32  -9.176 -12.748   2.811
  235    HG3  LYS  32           3HG      LYS  32 -10.039 -11.526   1.852
  236    HD2  LYS  32           2HD      LYS  32 -11.688 -13.240   1.170
  237    HD3  LYS  32           3HD      LYS  32 -10.797 -14.459   2.116
  238    HE2  LYS  32           2HE      LYS  32 -11.186 -13.139   4.183
  239    HE3  LYS  32           3HE      LYS  32 -12.078 -11.932   3.251
  240    HZ1  LYS  32           3HZ      LYS  32 -12.882 -14.777   3.558
  241    HZ2  LYS  32           1HZ      LYS  32 -13.580 -13.511   4.314
  242    HZ3  LYS  32           2HZ      LYS  32 -13.708 -13.659   2.695
  243    H    GLY  33           H        GLY  33  -7.260 -11.162   2.806
  244    HA2  GLY  33           2HA      GLY  33  -6.191 -11.690   4.765
  245    HA3  GLY  33           3HA      GLY  33  -5.947 -13.326   4.162
  246    H    GLN  34           H        GLN  34  -4.426 -11.085   2.026
  247    HA   GLN  34           HA       GLN  34  -1.935 -10.979   3.646
  248    HB2  GLN  34           2HB      GLN  34  -0.570 -11.140   1.670
  249    HB3  GLN  34           3HB      GLN  34  -1.530 -12.583   1.926
  250    HG2  GLN  34           2HG      GLN  34  -1.489 -12.167  -0.437
  251    HG3  GLN  34           3HG      GLN  34  -3.114 -11.831   0.135
  252   HE21  GLN  34          2HE2      GLN  34  -3.958  -9.791  -0.422
  253   HE22  GLN  34          1HE2      GLN  34  -2.941  -8.368  -0.415
  254    H    VAL  35           H        VAL  35  -0.539  -8.997   2.790
  255    HA   VAL  35           HA       VAL  35  -2.119  -6.763   3.573
  256    HB   VAL  35           HB       VAL  35   0.673  -6.931   2.436
  257   HG11  VAL  35          1HG1      VAL  35  -0.110  -4.636   1.987
  258   HG12  VAL  35          2HG1      VAL  35  -0.675  -4.486   3.667
  259   HG13  VAL  35          3HG1      VAL  35   1.053  -4.648   3.304
  260   HG21  VAL  35          3HG2      VAL  35  -0.396  -6.456   5.247
  261   HG22  VAL  35          1HG2      VAL  35   0.355  -7.953   4.650
  262   HG23  VAL  35          2HG2      VAL  35   1.314  -6.478   4.769
  263    H    ARG  36           H        ARG  36  -2.951  -4.990   2.540
  264    HA   ARG  36           HA       ARG  36  -2.551  -4.676  -0.380
  265    HB2  ARG  36           2HB      ARG  36  -4.819  -3.992  -0.798
  266    HB3  ARG  36           3HB      ARG  36  -4.763  -5.660  -0.237
  267    HG2  ARG  36           2HG      ARG  36  -5.615  -5.041   1.949
  268    HG3  ARG  36           3HG      ARG  36  -5.510  -3.328   1.566
  269    HD2  ARG  36           2HD      ARG  36  -7.158  -3.652  -0.290
  270    HD3  ARG  36           3HD      ARG  36  -7.340  -5.336   0.181
  271    HE   ARG  36           HE       ARG  36  -7.798  -3.716   2.492
  272   HH11  ARG  36          1HH2      ARG  36  -9.532  -4.384  -0.520
  273   HH12  ARG  36          2HH2      ARG  36 -10.942  -3.558   0.064
  274   HH21  ARG  36          1HH1      ARG  36  -9.633  -2.854   3.154
  275   HH22  ARG  36          2HH1      ARG  36 -11.046  -2.789   2.109
  276    H    LEU  37           H        LEU  37  -2.072  -2.643  -0.967
  277    HA   LEU  37           HA       LEU  37  -2.164  -0.492   1.103
  278    HB2  LEU  37           2HB      LEU  37  -0.297  -0.557  -1.284
  279    HB3  LEU  37           3HB      LEU  37  -0.318   0.541   0.125
  280    HG   LEU  37           HG       LEU  37   1.566  -0.690   0.385
  281   HD11  LEU  37          1HD1      LEU  37   0.204  -0.454   2.378
  282   HD12  LEU  37          2HD1      LEU  37  -0.426  -2.101   2.178
  283   HD13  LEU  37          3HD1      LEU  37   1.309  -1.841   2.464
  284   HD21  LEU  37          3HD2      LEU  37   0.079  -3.336   0.066
  285   HD22  LEU  37          1HD2      LEU  37   1.055  -2.561  -1.192
  286   HD23  LEU  37          2HD2      LEU  37   1.808  -3.079   0.333
  287    H    SER  38           H        SER  38  -2.736   1.660   0.334
  288    HA   SER  38           HA       SER  38  -3.668   1.826  -2.433
  289    HB2  SER  38           2HB      SER  38  -5.859   2.833  -1.818
  290    HB3  SER  38           3HB      SER  38  -5.704   1.152  -1.332
  291    HG   SER  38           HG       SER  38  -6.524   2.234   0.411
  292    H    LYS  39           H        LYS  39  -4.206   3.933  -3.207
  293    HA   LYS  39           HA       LYS  39  -2.971   6.207  -1.684
  294    HB2  LYS  39           2HB      LYS  39  -1.536   5.778  -3.493
  295    HB3  LYS  39           3HB      LYS  39  -2.867   5.571  -4.638
  296    HG2  LYS  39           2HG      LYS  39  -3.353   7.900  -4.704
  297    HG3  LYS  39           3HG      LYS  39  -2.330   8.245  -3.283
  298    HD2  LYS  39           2HD      LYS  39  -0.324   7.663  -4.505
  299    HD3  LYS  39           3HD      LYS  39  -1.285   7.103  -5.893
  300    HE2  LYS  39           2HE      LYS  39  -0.656   9.134  -6.689
  301    HE3  LYS  39           3HE      LYS  39  -2.197   9.568  -5.942
  302    HZ1  LYS  39           3HZ      LYS  39   0.475   9.875  -4.658
  303    HZ2  LYS  39           1HZ      LYS  39  -0.374  11.100  -5.344
  304    HZ3  LYS  39           2HZ      LYS  39  -0.941  10.369  -3.999
  305    H    LYS  40           H        LYS  40  -4.141   7.976  -1.375
  306    HA   LYS  40           HA       LYS  40  -6.982   8.002  -2.229
  307    HB2  LYS  40           2HB      LYS  40  -6.610   8.161   0.100
  308    HB3  LYS  40           3HB      LYS  40  -5.443   9.452  -0.064
  309    HG2  LYS  40           2HG      LYS  40  -8.355   9.747  -0.964
  310    HG3  LYS  40           3HG      LYS  40  -7.875   9.982   0.708
  311    HD2  LYS  40           2HD      LYS  40  -7.093  11.658  -1.680
  312    HD3  LYS  40           3HD      LYS  40  -8.026  12.140  -0.282
  313    HE2  LYS  40           2HE      LYS  40  -5.045  11.458  -0.272
  314    HE3  LYS  40           3HE      LYS  40  -5.710  13.077  -0.361
  315    HZ1  LYS  40           3HZ      LYS  40  -5.079  12.408   1.909
  316    HZ2  LYS  40           1HZ      LYS  40  -6.664  12.824   1.819
  317    HZ3  LYS  40           2HZ      LYS  40  -6.226  11.248   1.920
  318    H    MET  41           H        MET  41  -7.490   9.065  -4.031
  319    HA   MET  41           HA       MET  41  -6.579  11.797  -4.500
  320    HB2  MET  41           2HB      MET  41  -5.598  11.446  -6.706
  321    HB3  MET  41           3HB      MET  41  -4.646  10.658  -5.452
  322    HG2  MET  41           2HG      MET  41  -5.685   8.477  -6.039
  323    HG3  MET  41           3HG      MET  41  -6.617   9.276  -7.313
  324    HE1  MET  41           3HE      MET  41  -4.186   7.131  -9.356
  325    HE2  MET  41           1HE      MET  41  -4.959   6.754  -7.797
  326    HE3  MET  41           2HE      MET  41  -5.877   7.620  -9.063
  327    H    VAL  42           H        VAL  42  -8.016  12.978  -5.823
  328    HA   VAL  42           HA       VAL  42 -10.439  11.801  -6.764
  329    HB   VAL  42           HB       VAL  42 -10.303  14.146  -6.272
  330   HG11  VAL  42          1HG1      VAL  42  -9.211  15.786  -7.690
  331   HG12  VAL  42          2HG1      VAL  42  -7.997  14.683  -7.033
  332   HG13  VAL  42          3HG1      VAL  42  -8.531  14.514  -8.718
  333   HG21  VAL  42          3HG2      VAL  42 -10.873  13.757  -9.216
  334   HG22  VAL  42          1HG2      VAL  42 -11.975  13.323  -7.884
  335   HG23  VAL  42          2HG2      VAL  42 -11.524  15.016  -8.147
  336    H    ASP  43           H        ASP  43 -10.945  10.747  -8.616
  337    HA   ASP  43           HA       ASP  43  -8.841   9.778 -10.350
  338    HB2  ASP  43           2HB      ASP  43 -10.823   8.454  -9.733
  339    HB3  ASP  43           3HB      ASP  43 -11.867   9.594 -10.579
  340    HA   PRO  44           HA       PRO  44  -8.939  13.384 -12.933
  341    HB2  PRO  44           2HB      PRO  44  -7.193  12.654 -14.930
  342    HB3  PRO  44           3HB      PRO  44  -6.676  12.969 -13.245
  343    HG2  PRO  44           2HG      PRO  44  -7.336  10.278 -14.505
  344    HG3  PRO  44           3HG      PRO  44  -5.868  10.729 -13.572
  345    HD2  PRO  44           2HD      PRO  44  -7.948   9.464 -12.412
  346    HD3  PRO  44           3HD      PRO  44  -7.059  10.753 -11.543
  347    H    GLU  45           H        GLU  45 -10.212  10.387 -14.100
  348    HA   GLU  45           HA       GLU  45 -11.444  11.719 -16.497
  349    HB2  GLU  45           2HB      GLU  45 -11.263   8.773 -15.757
  350    HB3  GLU  45           3HB      GLU  45 -12.029   9.428 -17.197
  351    HG2  GLU  45           2HG      GLU  45  -9.061   9.550 -16.510
  352    HG3  GLU  45           3HG      GLU  45  -9.821   8.514 -17.708
  353    H    LYS  46           H        LYS  46 -12.038  10.752 -13.304
  354    HA   LYS  46           HA       LYS  46 -14.989  11.129 -13.544
  355    HB2  LYS  46           2HB      LYS  46 -13.656   8.934 -11.896
  356    HB3  LYS  46           3HB      LYS  46 -15.386   9.233 -12.048
  357    HG2  LYS  46           2HG      LYS  46 -13.590   8.341 -14.320
  358    HG3  LYS  46           3HG      LYS  46 -14.586   7.278 -13.335
  359    HD2  LYS  46           2HD      LYS  46 -16.624   8.151 -14.153
  360    HD3  LYS  46           3HD      LYS  46 -15.866   9.615 -14.799
  361    HE2  LYS  46           2HE      LYS  46 -14.532   8.264 -16.372
  362    HE3  LYS  46           3HE      LYS  46 -15.337   6.792 -15.798
  363    HZ1  LYS  46           3HZ      LYS  46 -16.396   7.641 -17.822
  364    HZ2  LYS  46           1HZ      LYS  46 -17.455   7.737 -16.585
  365    HZ3  LYS  46           2HZ      LYS  46 -16.700   9.083 -17.124
  366    HA   PRO  47           HA       PRO  47 -12.973  13.405  -9.972
  367    HB2  PRO  47           2HB      PRO  47 -13.480  16.032 -10.648
  368    HB3  PRO  47           3HB      PRO  47 -12.008  15.128 -11.107
  369    HG2  PRO  47           2HG      PRO  47 -14.522  15.555 -12.763
  370    HG3  PRO  47           3HG      PRO  47 -12.810  15.756 -13.271
  371    HD2  PRO  47           2HD      PRO  47 -14.198  13.502 -13.839
  372    HD3  PRO  47           3HD      PRO  47 -12.465  13.446 -13.389
  373    H    GLN  48           H        GLN  48 -16.078  13.519 -11.545
  374    HA   GLN  48           HA       GLN  48 -17.654  14.786  -9.558
  375    HB2  GLN  48           2HB      GLN  48 -18.337  12.577 -11.543
  376    HB3  GLN  48           3HB      GLN  48 -19.522  13.471 -10.585
  377    HG2  GLN  48           2HG      GLN  48 -18.772  15.603 -11.628
  378    HG3  GLN  48           3HG      GLN  48 -17.625  14.711 -12.632
  379   HE21  GLN  48          2HE2      GLN  48 -21.139  15.166 -11.985
  380   HE22  GLN  48          1HE2      GLN  48 -21.634  14.563 -13.561
  381    H    LEU  49           H        LEU  49 -16.283  11.475  -9.498
  382    HA   LEU  49           HA       LEU  49 -17.911  10.891  -7.084
  383    HB2  LEU  49           2HB      LEU  49 -17.000   8.615  -7.200
  384    HB3  LEU  49           3HB      LEU  49 -18.007   9.128  -8.539
  385    HG   LEU  49           HG       LEU  49 -16.031   9.424  -9.960
  386   HD11  LEU  49          1HD1      LEU  49 -14.507   8.241  -7.607
  387   HD12  LEU  49          2HD1      LEU  49 -13.858   8.392  -9.256
  388   HD13  LEU  49          3HD1      LEU  49 -14.241   9.840  -8.327
  389   HD21  LEU  49          3HD2      LEU  49 -16.213   6.678  -8.679
  390   HD22  LEU  49          1HD2      LEU  49 -17.273   7.310  -9.960
  391   HD23  LEU  49          2HD2      LEU  49 -15.556   7.050 -10.292
  392    H    GLY  50           H        GLY  50 -15.035  12.527  -7.580
  393    HA2  GLY  50           2HA      GLY  50 -13.816  13.571  -5.965
  394    HA3  GLY  50           3HA      GLY  50 -14.719  12.699  -4.729
  395    H    MET  51           H        MET  51 -12.543  12.758  -3.739
  396    HA   MET  51           HA       MET  51 -10.377  11.265  -4.667
  397    HB2  MET  51           2HB      MET  51 -10.946  11.773  -1.742
  398    HB3  MET  51           3HB      MET  51  -9.397  11.610  -2.574
  399    HG2  MET  51           2HG      MET  51 -10.246  13.741  -3.922
  400    HG3  MET  51           3HG      MET  51 -11.341  13.923  -2.555
  401    HE1  MET  51           3HE      MET  51  -6.808  14.534  -2.740
  402    HE2  MET  51           1HE      MET  51  -7.662  13.103  -3.376
  403    HE3  MET  51           2HE      MET  51  -7.984  14.702  -4.070
  404    H    ILE  52           H        ILE  52 -10.102   9.191  -4.917
  405    HA   ILE  52           HA       ILE  52 -11.699   7.254  -3.333
  406    HB   ILE  52           HB       ILE  52 -11.408   5.739  -5.379
  407   HG12  ILE  52          2HG1      ILE  52 -11.417   6.872  -7.583
  408   HG13  ILE  52          3HG1      ILE  52 -10.932   8.386  -6.836
  409   HG21  ILE  52          1HG2      ILE  52 -13.203   8.174  -5.625
  410   HG22  ILE  52          2HG2      ILE  52 -13.432   6.580  -6.381
  411   HG23  ILE  52          3HG2      ILE  52 -13.519   6.734  -4.622
  412   HD11  ILE  52          3HD1      ILE  52  -8.765   7.385  -6.195
  413   HD12  ILE  52          1HD1      ILE  52  -9.324   5.798  -6.755
  414   HD13  ILE  52          2HD1      ILE  52  -9.061   7.135  -7.910
  415    H    ASP  53           H        ASP  53 -10.749   5.087  -3.168
  416    HA   ASP  53           HA       ASP  53  -7.892   5.314  -2.369
  417    HB2  ASP  53           2HB      ASP  53 -10.078   3.405  -1.466
  418    HB3  ASP  53           3HB      ASP  53  -8.393   3.342  -0.952
  419    H    ARG  54           H        ARG  54  -6.898   4.914  -4.261
  420    HA   ARG  54           HA       ARG  54  -7.491   2.728  -6.113
  421    HB2  ARG  54           2HB      ARG  54  -6.037   5.135  -6.177
  422    HB3  ARG  54           3HB      ARG  54  -4.754   3.953  -6.093
  423    HG2  ARG  54           2HG      ARG  54  -5.148   4.541  -8.363
  424    HG3  ARG  54           3HG      ARG  54  -5.607   2.863  -8.137
  425    HD2  ARG  54           2HD      ARG  54  -7.972   3.429  -8.163
  426    HD3  ARG  54           3HD      ARG  54  -7.591   5.141  -7.924
  427    HE   ARG  54           HE       ARG  54  -6.435   4.250 -10.392
  428   HH11  ARG  54          1HH2      ARG  54  -9.622   5.034  -9.086
  429   HH12  ARG  54          2HH2      ARG  54 -10.035   5.916 -10.561
  430   HH21  ARG  54          1HH1      ARG  54  -7.229   5.333 -12.263
  431   HH22  ARG  54          2HH1      ARG  54  -8.845   6.035 -12.159
  432    H    TRP  55           H        TRP  55  -7.161   0.581  -5.456
  433    HA   TRP  55           HA       TRP  55  -5.179   0.008  -3.371
  434    HB2  TRP  55           2HB      TRP  55  -7.168  -1.781  -4.774
  435    HB3  TRP  55           3HB      TRP  55  -6.057  -2.321  -3.526
  436    HD1  TRP  55           HD1      TRP  55  -9.381  -0.739  -3.979
  437    HE1  TRP  55           HE1      TRP  55 -10.445  -0.147  -1.730
  438    HE3  TRP  55           HE3      TRP  55  -5.334  -1.516  -0.905
  439    HZ2  TRP  55           HZ2      TRP  55  -9.618   0.137   1.020
  440    HZ3  TRP  55           HZ3      TRP  55  -5.488  -0.979   1.509
  441    HH2  TRP  55           HH2      TRP  55  -7.621  -0.173   2.487
  442    H    TYR  56           H        TYR  56  -3.556  -1.528  -3.446
  443    HA   TYR  56           HA       TYR  56  -2.437  -2.504  -6.006
  444    HB2  TYR  56           2HB      TYR  56  -0.956  -0.900  -3.875
  445    HB3  TYR  56           3HB      TYR  56  -0.228  -1.631  -5.298
  446    HD1  TYR  56           HD2      TYR  56  -0.804  -0.794  -7.573
  447    HD2  TYR  56           HD1      TYR  56  -2.087   1.243  -4.012
  448    HE1  TYR  56           HE2      TYR  56  -1.383   1.242  -8.936
  449    HE2  TYR  56           HE1      TYR  56  -2.688   3.244  -5.366
  450    HH   TYR  56           HH       TYR  56  -2.732   4.189  -7.459
  451    H    HIS  57           H        HIS  57  -0.946  -4.160  -5.768
  452    HA   HIS  57           HA       HIS  57  -1.083  -6.021  -3.489
  453    HB2  HIS  57           2HB      HIS  57   0.743  -5.904  -5.910
  454    HB3  HIS  57           3HB      HIS  57   0.875  -7.125  -4.673
  455    HD2  HIS  57           HD2      HIS  57  -1.549  -8.565  -4.198
  456    HE1  HIS  57           HE1      HIS  57  -2.601  -8.479  -8.320
  457    HE2  HIS  57           HE2      HIS  57  -2.984  -9.675  -6.132
  458    HA   PRO  58           HA       PRO  58   2.577  -4.383  -1.241
  459    HB2  PRO  58           2HB      PRO  58   3.371  -7.282  -1.046
  460    HB3  PRO  58           3HB      PRO  58   3.316  -6.032   0.241
  461    HG2  PRO  58           2HG      PRO  58   1.333  -7.850   0.089
  462    HG3  PRO  58           3HG      PRO  58   0.920  -6.112   0.305
  463    HD2  PRO  58           2HD      PRO  58   0.957  -7.698  -2.279
  464    HD3  PRO  58           3HD      PRO  58  -0.342  -6.663  -1.617
  465    H    GLY  59           H        GLY  59   2.936  -6.584  -3.948
  466    HA2  GLY  59           2HA      GLY  59   5.788  -5.976  -4.384
  467    HA3  GLY  59           3HA      GLY  59   4.746  -6.993  -5.382
  468    H    CYS  60           HN       CYS  60   2.691  -4.704  -5.540
  469    HA   CYS  60           HA       CYS  60   3.933  -3.470  -7.912
  470    HB2  CYS  60           2HB      CYS  60   1.046  -3.543  -7.017
  471    HB3  CYS  60           3HB      CYS  60   1.650  -3.019  -8.597
  472    H    PHE  61           H        PHE  61   2.377  -2.373  -4.890
  473    HA   PHE  61           HA       PHE  61   2.506   0.402  -5.520
  474    HB2  PHE  61           2HB      PHE  61   1.736   0.702  -3.443
  475    HB3  PHE  61           3HB      PHE  61   1.517  -1.038  -3.455
  476    HD1  PHE  61           HD1      PHE  61   3.224  -2.511  -2.400
  477    HD2  PHE  61           HD2      PHE  61   3.389   1.760  -2.045
  478    HE1  PHE  61           HE1      PHE  61   4.707  -2.748  -0.409
  479    HE2  PHE  61           HE2      PHE  61   4.821   1.541  -0.009
  480    HZ   PHE  61           HZ       PHE  61   5.491  -0.712   0.801
  481    H    VAL  62           H        VAL  62   4.985  -1.818  -4.386
  482    HA   VAL  62           HA       VAL  62   7.193  -0.017  -4.117
  483    HB   VAL  62           HB       VAL  62   7.057  -2.966  -4.855
  484   HG11  VAL  62          1HG1      VAL  62   9.278  -2.140  -5.494
  485   HG12  VAL  62          2HG1      VAL  62   9.462  -1.372  -3.888
  486   HG13  VAL  62          3HG1      VAL  62   9.383  -3.139  -4.053
  487   HG21  VAL  62          3HG2      VAL  62   6.114  -2.407  -2.639
  488   HG22  VAL  62          1HG2      VAL  62   7.587  -3.342  -2.492
  489   HG23  VAL  62          2HG2      VAL  62   7.614  -1.582  -2.193
  490    H    LYS  63           H        LYS  63   5.838  -1.588  -7.044
  491    HA   LYS  63           HA       LYS  63   8.053  -0.761  -8.784
  492    HB2  LYS  63           2HB      LYS  63   5.286  -1.896  -9.363
  493    HB3  LYS  63           3HB      LYS  63   6.445  -1.456 -10.614
  494    HG2  LYS  63           2HG      LYS  63   8.100  -3.042  -9.668
  495    HG3  LYS  63           3HG      LYS  63   6.916  -3.573  -8.478
  496    HD2  LYS  63           2HD      LYS  63   6.616  -3.748 -11.510
  497    HD3  LYS  63           3HD      LYS  63   7.094  -5.088 -10.480
  498    HE2  LYS  63           2HE      LYS  63   4.422  -3.636 -10.200
  499    HE3  LYS  63           3HE      LYS  63   4.649  -5.024 -11.258
  500    HZ1  LYS  63           3HZ      LYS  63   5.150  -6.398  -9.393
  501    HZ2  LYS  63           1HZ      LYS  63   5.233  -5.126  -8.353
  502    HZ3  LYS  63           2HZ      LYS  63   3.790  -5.557  -8.994
  503    H    ASN  64           H        ASN  64   4.816   0.547  -8.046
  504    HA   ASN  64           HA       ASN  64   5.394   2.906  -9.762
  505    HB2  ASN  64           2HB      ASN  64   2.808   3.292  -9.129
  506    HB3  ASN  64           3HB      ASN  64   3.427   2.537 -10.572
  507   HD21  ASN  64          1HD2      ASN  64   1.883   1.860  -7.425
  508   HD22  ASN  64          2HD2      ASN  64   1.296   0.294  -7.985
  509    H    ARG  65           H        ARG  65   6.462   2.311  -6.871
  510    HA   ARG  65           HA       ARG  65   5.415   4.060  -5.065
  511    HB2  ARG  65           2HB      ARG  65   7.386   3.878  -3.863
  512    HB3  ARG  65           3HB      ARG  65   7.395   2.429  -4.849
  513    HG2  ARG  65           2HG      ARG  65   8.963   3.655  -6.463
  514    HG3  ARG  65           3HG      ARG  65   8.989   4.993  -5.304
  515    HD2  ARG  65           2HD      ARG  65  10.932   3.839  -4.870
  516    HD3  ARG  65           3HD      ARG  65   9.837   3.339  -3.565
  517    HE   ARG  65           HE       ARG  65   9.521   1.438  -5.617
  518   HH11  ARG  65          1HH2      ARG  65  12.224   2.429  -3.601
  519   HH12  ARG  65          2HH2      ARG  65  13.018   0.889  -3.788
  520   HH21  ARG  65          1HH1      ARG  65  10.664  -0.376  -5.948
  521   HH22  ARG  65          2HH1      ARG  65  12.178  -0.648  -5.121
  522    H    GLU  66           H        GLU  66   7.566   5.008  -7.704
  523    HA   GLU  66           HA       GLU  66   7.740   7.764  -6.863
  524    HB2  GLU  66           2HB      GLU  66   8.877   8.126  -9.023
  525    HB3  GLU  66           3HB      GLU  66   9.574   6.826  -8.060
  526    HG2  GLU  66           2HG      GLU  66   8.480   5.132  -9.464
  527    HG3  GLU  66           3HG      GLU  66   7.671   6.392 -10.402
  528    H    GLU  67           H        GLU  67   5.465   6.000  -8.829
  529    HA   GLU  67           HA       GLU  67   4.138   8.381  -9.914
  530    HB2  GLU  67           2HB      GLU  67   4.219   6.275 -11.176
  531    HB3  GLU  67           3HB      GLU  67   3.284   5.471  -9.911
  532    HG2  GLU  67           2HG      GLU  67   1.366   6.909 -10.331
  533    HG3  GLU  67           3HG      GLU  67   2.306   7.910 -11.445
  534    H    LEU  68           H        LEU  68   3.684   6.031  -7.237
  535    HA   LEU  68           HA       LEU  68   1.322   7.285  -6.158
  536    HB2  LEU  68           2HB      LEU  68   3.434   5.591  -4.775
  537    HB3  LEU  68           3HB      LEU  68   1.850   5.988  -4.119
  538    HG   LEU  68           HG       LEU  68   2.420   4.237  -6.546
  539   HD11  LEU  68          1HD1      LEU  68   2.885   3.156  -4.407
  540   HD12  LEU  68          2HD1      LEU  68   1.279   3.622  -3.798
  541   HD13  LEU  68          3HD1      LEU  68   1.420   2.473  -5.140
  542   HD21  LEU  68          3HD2      LEU  68  -0.273   4.906  -5.334
  543   HD22  LEU  68          1HD2      LEU  68   0.319   5.460  -6.927
  544   HD23  LEU  68          2HD2      LEU  68   0.070   3.748  -6.634
  545    H    GLY  69           H        GLY  69   4.757   7.977  -5.717
  546    HA2  GLY  69           2HA      GLY  69   5.346  10.309  -5.390
  547    HA3  GLY  69           3HA      GLY  69   4.015  10.492  -4.255
  548    H    PHE  70           H        PHE  70   5.964   7.592  -3.907
  549    HA   PHE  70           HA       PHE  70   6.809   8.284  -1.238
  550    HB2  PHE  70           2HB      PHE  70   7.529   6.058  -3.158
  551    HB3  PHE  70           3HB      PHE  70   8.337   6.234  -1.618
  552    HD1  PHE  70           HD2      PHE  70   5.033   5.518  -3.179
  553    HD2  PHE  70           HD1      PHE  70   7.313   5.680   0.471
  554    HE1  PHE  70           HE2      PHE  70   3.252   4.244  -2.012
  555    HE2  PHE  70           HE1      PHE  70   5.530   4.415   1.637
  556    HZ   PHE  70           HZ       PHE  70   3.511   3.676   0.392
  557    H    ARG  71           H        ARG  71   8.523   9.234  -0.502
  558    HA   ARG  71           HA       ARG  71  11.108   9.325  -1.942
  559    HB2  ARG  71           2HB      ARG  71   9.743  11.702  -0.601
  560    HB3  ARG  71           3HB      ARG  71  11.432  11.682  -1.065
  561    HG2  ARG  71           2HG      ARG  71  10.934  11.578  -3.404
  562    HG3  ARG  71           3HG      ARG  71   9.223  11.248  -3.111
  563    HD2  ARG  71           2HD      ARG  71   9.586  13.571  -3.800
  564    HD3  ARG  71           3HD      ARG  71   8.823  13.412  -2.221
  565    HE   ARG  71           HE       ARG  71  11.675  14.213  -2.736
  566   HH11  ARG  71          1HH2      ARG  71   8.928  14.269  -0.497
  567   HH12  ARG  71          2HH2      ARG  71   9.941  15.044   0.732
  568   HH21  ARG  71          1HH1      ARG  71  12.757  15.280  -1.020
  569   HH22  ARG  71          2HH1      ARG  71  11.848  15.546   0.470
  570    HA   PRO  72           HA       PRO  72  12.764   7.783   1.694
  571    HB2  PRO  72           2HB      PRO  72  14.709  10.083   1.958
  572    HB3  PRO  72           3HB      PRO  72  15.027   8.317   2.021
  573    HG2  PRO  72           2HG      PRO  72  15.548   9.684  -0.241
  574    HG3  PRO  72           3HG      PRO  72  14.710   8.098  -0.338
  575    HD2  PRO  72           2HD      PRO  72  13.513  10.874  -0.451
  576    HD3  PRO  72           3HD      PRO  72  13.183   9.458  -1.492
  577    H    GLU  73           H        GLU  73  11.936  11.237   2.175
  578    HA   GLU  73           HA       GLU  73  11.996  10.966   5.073
  579    HB2  GLU  73           2HB      GLU  73  11.210  13.187   5.203
  580    HB3  GLU  73           3HB      GLU  73  12.408  13.109   3.914
  581    HG2  GLU  73           2HG      GLU  73  10.556  13.037   2.230
  582    HG3  GLU  73           3HG      GLU  73   9.380  13.181   3.538
  583    H    TYR  74           H        TYR  74   9.740   9.794   2.851
  584    HA   TYR  74           HA       TYR  74   7.999   9.009   5.059
  585    HB2  TYR  74           2HB      TYR  74   5.918   9.629   3.669
  586    HB3  TYR  74           3HB      TYR  74   6.717  10.787   4.699
  587    HD1  TYR  74           HD2      TYR  74   7.509   9.803   1.153
  588    HD2  TYR  74           HD1      TYR  74   6.283  12.881   3.901
  589    HE1  TYR  74           HE2      TYR  74   7.449  11.469  -0.721
  590    HE2  TYR  74           HE1      TYR  74   6.293  14.548   2.056
  591    HH   TYR  74           HH       TYR  74   6.567  14.891  -0.196
  592    H    SER  75           H        SER  75   9.390   7.240   4.453
  593    HA   SER  75           HA       SER  75   8.829   5.352   2.400
  594    HB2  SER  75           2HB      SER  75   9.856   3.789   3.956
  595    HB3  SER  75           3HB      SER  75  10.730   5.326   4.019
  596    HG   SER  75           HG       SER  75  10.319   4.579   6.119
  597    H    ALA  76           H        ALA  76   7.977   3.086   3.285
  598    HA   ALA  76           HA       ALA  76   5.199   2.991   3.553
  599    HB1  ALA  76           1HB      ALA  76   6.563   1.045   2.965
  600    HB2  ALA  76           2HB      ALA  76   7.344   1.070   4.566
  601    HB3  ALA  76           3HB      ALA  76   5.620   0.687   4.420
  602    H    SER  77           H        SER  77   7.453   3.803   6.122
  603    HA   SER  77           HA       SER  77   5.840   3.060   8.365
  604    HB2  SER  77           2HB      SER  77   7.261   4.579   9.634
  605    HB3  SER  77           3HB      SER  77   8.252   3.602   8.539
  606    HG   SER  77           HG       SER  77   8.552   5.359   7.224
  607    H    GLN  78           H        GLN  78   5.504   5.620   6.044
  608    HA   GLN  78           HA       GLN  78   3.534   7.003   7.729
  609    HB2  GLN  78           2HB      GLN  78   4.987   8.073   5.299
  610    HB3  GLN  78           3HB      GLN  78   3.867   8.933   6.358
  611    HG2  GLN  78           2HG      GLN  78   5.563   8.183   8.276
  612    HG3  GLN  78           3HG      GLN  78   6.687   8.016   6.937
  613   HE21  GLN  78          2HE2      GLN  78   7.803   9.714   8.367
  614   HE22  GLN  78          1HE2      GLN  78   7.402  11.383   8.005
  615    H    LEU  79           H        LEU  79   3.041   4.499   6.149
  616    HA   LEU  79           HA       LEU  79   0.693   5.368   4.541
  617    HB2  LEU  79           2HB      LEU  79   1.768   2.659   5.443
  618    HB3  LEU  79           3HB      LEU  79   0.238   2.843   4.616
  619    HG   LEU  79           HG       LEU  79   2.730   3.876   3.252
  620   HD11  LEU  79          1HD1      LEU  79   3.319   1.570   4.011
  621   HD12  LEU  79          2HD1      LEU  79   1.888   0.955   3.185
  622   HD13  LEU  79          3HD1      LEU  79   3.184   1.718   2.249
  623   HD21  LEU  79          3HD2      LEU  79   0.364   4.139   2.374
  624   HD22  LEU  79          1HD2      LEU  79   1.495   3.366   1.261
  625   HD23  LEU  79          2HD2      LEU  79   0.321   2.388   2.156
  626    H    LYS  80           H        LYS  80  -1.367   5.425   5.312
  627    HA   LYS  80           HA       LYS  80  -1.941   5.646   8.068
  628    HB2  LYS  80           2HB      LYS  80  -3.935   4.745   5.942
  629    HB3  LYS  80           3HB      LYS  80  -4.313   5.368   7.544
  630    HG2  LYS  80           2HG      LYS  80  -3.105   7.491   6.896
  631    HG3  LYS  80           3HG      LYS  80  -3.068   6.884   5.233
  632    HD2  LYS  80           2HD      LYS  80  -5.537   7.438   6.958
  633    HD3  LYS  80           3HD      LYS  80  -4.929   8.482   5.671
  634    HE2  LYS  80           2HE      LYS  80  -5.382   6.746   3.989
  635    HE3  LYS  80           3HE      LYS  80  -5.930   5.632   5.255
  636    HZ1  LYS  80           3HZ      LYS  80  -7.743   7.171   5.750
  637    HZ2  LYS  80           1HZ      LYS  80  -7.239   8.221   4.604
  638    HZ3  LYS  80           2HZ      LYS  80  -7.801   6.750   4.175
  639    H    GLY  81           H        GLY  81  -2.340   4.253   9.672
  640    HA2  GLY  81           2HA      GLY  81  -2.752   2.309  10.841
  641    HA3  GLY  81           3HA      GLY  81  -3.410   1.607   9.363
  642    H    PHE  82           H        PHE  82  -0.104   2.583   8.899
  643    HA   PHE  82           HA       PHE  82   0.820   0.005   8.302
  644    HB2  PHE  82           2HB      PHE  82   2.005   1.850   7.455
  645    HB3  PHE  82           3HB      PHE  82   2.136   2.634   9.019
  646    HD1  PHE  82           HD2      PHE  82   3.627   0.048   6.812
  647    HD2  PHE  82           HD1      PHE  82   3.826   2.056  10.621
  648    HE1  PHE  82           HE2      PHE  82   5.916  -0.838   7.162
  649    HE2  PHE  82           HE1      PHE  82   6.110   1.130  10.989
  650    HZ   PHE  82           HZ       PHE  82   7.146  -0.323   9.254
  651    H    SER  83           H        SER  83   1.221   1.842  11.362
  652    HA   SER  83           HA       SER  83   2.766  -0.017  12.773
  653    HB2  SER  83           2HB      SER  83   0.693   1.955  13.788
  654    HB3  SER  83           3HB      SER  83   1.941   1.183  14.792
  655    HG   SER  83           HG       SER  83   3.528   2.167  13.474
  656    H    LEU  84           H        LEU  84  -0.609  -0.289  11.992
  657    HA   LEU  84           HA       LEU  84  -1.258  -2.147  14.187
  658    HB2  LEU  84           2HB      LEU  84  -2.944  -1.220  11.834
  659    HB3  LEU  84           3HB      LEU  84  -3.511  -2.071  13.261
  660    HG   LEU  84           HG       LEU  84  -2.395   0.769  13.214
  661   HD11  LEU  84          1HD1      LEU  84  -4.698   1.428  13.716
  662   HD12  LEU  84          2HD1      LEU  84  -4.620   0.540  12.184
  663   HD13  LEU  84          3HD1      LEU  84  -5.222  -0.270  13.647
  664   HD21  LEU  84          3HD2      LEU  84  -3.589  -0.843  15.515
  665   HD22  LEU  84          1HD2      LEU  84  -1.903  -0.287  15.383
  666   HD23  LEU  84          2HD2      LEU  84  -3.205   0.894  15.557
  667    H    LEU  85           H        LEU  85   0.173  -2.468  11.099
  668    HA   LEU  85           HA       LEU  85  -0.858  -5.121  10.470
  669    HB2  LEU  85           2HB      LEU  85   1.405  -3.404   9.451
  670    HB3  LEU  85           3HB      LEU  85   1.388  -5.112   9.082
  671    HG   LEU  85           HG       LEU  85  -0.732  -4.949   7.926
  672   HD11  LEU  85          1HD1      LEU  85  -0.658  -1.971   8.533
  673   HD12  LEU  85          2HD1      LEU  85  -1.754  -2.764   7.380
  674   HD13  LEU  85          3HD1      LEU  85  -1.879  -3.133   9.101
  675   HD21  LEU  85          3HD2      LEU  85   1.220  -2.795   7.033
  676   HD22  LEU  85          1HD2      LEU  85   1.368  -4.536   6.706
  677   HD23  LEU  85          2HD2      LEU  85   0.020  -3.625   6.013
  678    H    ALA  86           H        ALA  86   0.683  -7.034  10.351
  679    HA   ALA  86           HA       ALA  86   1.862  -7.611  12.940
  680    HB1  ALA  86           1HB      ALA  86   2.059  -9.110  10.293
  681    HB2  ALA  86           2HB      ALA  86   2.458  -9.746  11.902
  682    HB3  ALA  86           3HB      ALA  86   0.778  -9.331  11.504
  683    H    THR  87           H        THR  87   4.068  -7.870  13.444
  684    HA   THR  87           HA       THR  87   5.808  -5.875  12.619
  685    HB   THR  87           HB       THR  87   6.665  -8.567  13.715
  686    HG1  THR  87           1HG      THR  87   6.212  -7.664  15.737
  687   HG21  THR  87          1HG2      THR  87   8.357  -7.205  14.948
  688   HG22  THR  87          2HG2      THR  87   8.561  -7.064  13.198
  689   HG23  THR  87          3HG2      THR  87   7.784  -5.747  14.105
  690    H    GLU  88           H        GLU  88   5.710  -9.241  11.388
  691    HA   GLU  88           HA       GLU  88   8.053  -9.037   9.761
  692    HB2  GLU  88           2HB      GLU  88   7.293 -11.070   8.702
  693    HB3  GLU  88           3HB      GLU  88   7.094 -11.164  10.450
  694    HG2  GLU  88           2HG      GLU  88   4.643 -10.631  10.153
  695    HG3  GLU  88           3HG      GLU  88   4.884 -10.683   8.405
  696    H    ASP  89           H        ASP  89   4.691  -8.051   9.082
  697    HA   ASP  89           HA       ASP  89   5.292  -7.458   6.259
  698    HB2  ASP  89           2HB      ASP  89   2.901  -6.818   8.019
  699    HB3  ASP  89           3HB      ASP  89   3.044  -6.383   6.318
  700    H    LYS  90           H        LYS  90   4.977  -5.609   9.311
  701    HA   LYS  90           HA       LYS  90   5.389  -2.987   8.252
  702    HB2  LYS  90           2HB      LYS  90   6.011  -4.261  10.943
  703    HB3  LYS  90           3HB      LYS  90   6.326  -2.549  10.622
  704    HG2  LYS  90           2HG      LYS  90   4.055  -2.048  10.244
  705    HG3  LYS  90           3HG      LYS  90   3.605  -3.744  10.053
  706    HD2  LYS  90           2HD      LYS  90   2.779  -2.895  12.148
  707    HD3  LYS  90           3HD      LYS  90   3.954  -4.189  12.410
  708    HE2  LYS  90           2HE      LYS  90   5.677  -2.523  13.005
  709    HE3  LYS  90           3HE      LYS  90   4.542  -1.211  12.661
  710    HZ1  LYS  90           3HZ      LYS  90   3.095  -2.122  14.445
  711    HZ2  LYS  90           1HZ      LYS  90   4.202  -3.275  14.780
  712    HZ3  LYS  90           2HZ      LYS  90   4.570  -1.707  15.039
  713    H    GLU  91           H        GLU  91   7.819  -5.386   9.324
  714    HA   GLU  91           HA       GLU  91  10.096  -3.756   8.581
  715    HB2  GLU  91           2HB      GLU  91   9.770  -6.762   8.916
  716    HB3  GLU  91           3HB      GLU  91  11.314  -5.967   8.613
  717    HG2  GLU  91           2HG      GLU  91   9.534  -5.409  11.027
  718    HG3  GLU  91           3HG      GLU  91  10.902  -6.508  11.017
  719    H    ALA  92           H        ALA  92   8.296  -6.315   6.759
  720    HA   ALA  92           HA       ALA  92  10.018  -6.311   4.518
  721    HB1  ALA  92           1HB      ALA  92   8.422  -8.092   5.004
  722    HB2  ALA  92           2HB      ALA  92   7.059  -6.988   4.690
  723    HB3  ALA  92           3HB      ALA  92   8.160  -7.449   3.373
  724    H    LEU  93           H        LEU  93   7.109  -4.263   5.083
  725    HA   LEU  93           HA       LEU  93   7.057  -3.134   2.439
  726    HB2  LEU  93           2HB      LEU  93   6.017  -2.093   5.101
  727    HB3  LEU  93           3HB      LEU  93   5.647  -1.371   3.533
  728    HG   LEU  93           HG       LEU  93   4.901  -4.241   4.202
  729   HD11  LEU  93          1HD1      LEU  93   3.234  -1.695   4.391
  730   HD12  LEU  93          2HD1      LEU  93   2.634  -3.358   4.597
  731   HD13  LEU  93          3HD1      LEU  93   3.788  -2.689   5.759
  732   HD21  LEU  93          3HD2      LEU  93   3.911  -2.340   2.056
  733   HD22  LEU  93          1HD2      LEU  93   5.001  -3.727   1.797
  734   HD23  LEU  93          2HD2      LEU  93   3.343  -3.997   2.345
  735    H    LYS  94           H        LYS  94   8.689  -2.009   5.442
  736    HA   LYS  94           HA       LYS  94   9.938   0.305   4.263
  737    HB2  LYS  94           2HB      LYS  94  10.681  -1.428   6.650
  738    HB3  LYS  94           3HB      LYS  94  11.484   0.087   6.229
  739    HG2  LYS  94           2HG      LYS  94   9.364   1.331   6.525
  740    HG3  LYS  94           3HG      LYS  94   8.538  -0.162   6.982
  741    HD2  LYS  94           2HD      LYS  94  10.874   1.125   8.471
  742    HD3  LYS  94           3HD      LYS  94   9.174   1.163   8.966
  743    HE2  LYS  94           2HE      LYS  94   9.178  -1.326   9.148
  744    HE3  LYS  94           3HE      LYS  94  10.875  -1.358   8.668
  745    HZ1  LYS  94           3HZ      LYS  94  11.405  -0.089  10.678
  746    HZ2  LYS  94           1HZ      LYS  94   9.835  -0.133  11.157
  747    HZ3  LYS  94           2HZ      LYS  94  10.699  -1.527  11.011
  748    H    LYS  95           H        LYS  95  10.970  -3.147   4.636
  749    HA   LYS  95           HA       LYS  95  13.612  -2.720   3.679
  750    HB2  LYS  95           2HB      LYS  95  11.825  -5.163   3.745
  751    HB3  LYS  95           3HB      LYS  95  13.439  -5.234   3.032
  752    HG2  LYS  95           2HG      LYS  95  14.511  -4.594   5.086
  753    HG3  LYS  95           3HG      LYS  95  12.984  -4.182   5.851
  754    HD2  LYS  95           2HD      LYS  95  13.754  -6.293   6.722
  755    HD3  LYS  95           3HD      LYS  95  12.283  -6.566   5.777
  756    HE2  LYS  95           2HE      LYS  95  13.653  -7.338   3.853
  757    HE3  LYS  95           3HE      LYS  95  15.133  -6.999   4.761
  758    HZ1  LYS  95           3HZ      LYS  95  14.537  -9.348   4.885
  759    HZ2  LYS  95           1HZ      LYS  95  14.453  -8.694   6.375
  760    HZ3  LYS  95           2HZ      LYS  95  13.082  -9.009   5.540
  761    H    GLN  96           H        GLN  96  10.684  -2.915   1.832
  762    HA   GLN  96           HA       GLN  96  12.057  -3.198  -0.758
  763    HB2  GLN  96           2HB      GLN  96   9.158  -2.702   0.014
  764    HB3  GLN  96           3HB      GLN  96   9.729  -2.828  -1.645
  765    HG2  GLN  96           2HG      GLN  96  10.043  -5.049   0.420
  766    HG3  GLN  96           3HG      GLN  96   8.711  -4.931  -0.717
  767   HE21  GLN  96          2HE2      GLN  96  10.067  -7.251  -0.823
  768   HE22  GLN  96          1HE2      GLN  96  11.113  -7.284  -2.236
  769    H    LEU  97           H        LEU  97  10.681  -0.508   1.156
  770    HA   LEU  97           HA       LEU  97  12.171   1.351  -0.560
  771    HB2  LEU  97           2HB      LEU  97  10.180   2.896  -0.797
  772    HB3  LEU  97           3HB      LEU  97  10.355   1.508  -1.841
  773    HG   LEU  97           HG       LEU  97   8.597   0.281  -0.540
  774   HD11  LEU  97          1HD1      LEU  97   8.208   2.990   0.792
  775   HD12  LEU  97          2HD1      LEU  97   7.021   1.668   0.794
  776   HD13  LEU  97          3HD1      LEU  97   8.582   1.438   1.589
  777   HD21  LEU  97          3HD2      LEU  97   6.781   1.525  -1.588
  778   HD22  LEU  97          1HD2      LEU  97   7.793   2.976  -1.698
  779   HD23  LEU  97          2HD2      LEU  97   8.188   1.523  -2.649
  780    HA   PRO  98           HA       PRO  98  12.267   2.157   3.925
  781    HB2  PRO  98           2HB      PRO  98  15.026   2.139   4.302
  782    HB3  PRO  98           3HB      PRO  98  13.947   0.733   4.416
  783    HG2  PRO  98           2HG      PRO  98  15.822   1.466   2.221
  784    HG3  PRO  98           3HG      PRO  98  15.175  -0.142   2.683
  785    HD2  PRO  98           2HD      PRO  98  14.319   1.488   0.524
  786    HD3  PRO  98           3HD      PRO  98  13.527   0.021   1.159
  787    H    GLY  99           H        GLY  99  13.012   4.051   5.207
  788    HA2  GLY  99           2HA      GLY  99  12.932   6.440   3.655
  789    HA3  GLY  99           3HA      GLY  99  12.944   6.312   5.405
  790    H    VAL 100           H        VAL 100  14.100   8.203   5.314
  791    HA   VAL 100           HA       VAL 100  16.204   9.091   3.981
  792    HB   VAL 100           HB       VAL 100  16.080   9.567   6.982
  793   HG11  VAL 100          1HG1      VAL 100  16.794  11.868   6.332
  794   HG12  VAL 100          2HG1      VAL 100  17.999  10.678   5.877
  795   HG13  VAL 100          3HG1      VAL 100  16.914  11.350   4.638
  796   HG21  VAL 100          3HG2      VAL 100  14.409  10.849   4.782
  797   HG22  VAL 100          1HG2      VAL 100  13.805   9.865   6.145
  798   HG23  VAL 100          2HG2      VAL 100  14.522  11.439   6.453
  799    H    LYS 101           H        LYS 101  18.284   9.133   3.809
  800    HA   LYS 101           HA       LYS 101  19.818   6.828   4.428
  801    HB2  LYS 101           2HB      LYS 101  19.903   8.667   2.481
  802    HB3  LYS 101           3HB      LYS 101  21.107   9.416   3.541
  803    HG2  LYS 101           2HG      LYS 101  22.289   7.142   3.574
  804    HG3  LYS 101           3HG      LYS 101  21.094   6.605   2.386
  805    HD2  LYS 101           2HD      LYS 101  21.851   8.465   0.853
  806    HD3  LYS 101           3HD      LYS 101  23.112   8.877   2.040
  807    HE2  LYS 101           2HE      LYS 101  23.987   6.528   1.854
  808    HE3  LYS 101           3HE      LYS 101  22.764   6.201   0.615
  809    HZ1  LYS 101           3HZ      LYS 101  25.039   8.100   0.409
  810    HZ2  LYS 101           1HZ      LYS 101  24.765   6.746  -0.473
  811    HZ3  LYS 101           2HZ      LYS 101  23.802   8.032  -0.706
  812    H    SER 102           H        SER 102  19.323   9.524   6.449
  813    HA   SER 102           HA       SER 102  21.826   9.849   7.745
  814    HB2  SER 102           2HB      SER 102  20.433  10.826   9.581
  815    HB3  SER 102           3HB      SER 102  20.086  11.484   7.972
  816    HG   SER 102           HG       SER 102  18.181  10.934   9.199
  817    H    GLU 103           H        GLU 103  19.559   7.219   8.024
  818    HA   GLU 103           HA       GLU 103  20.445   6.117  10.540
  819    HB2  GLU 103           2HB      GLU 103  19.290   4.840   8.022
  820    HB3  GLU 103           3HB      GLU 103  19.534   3.993   9.559
  821    HG2  GLU 103           2HG      GLU 103  18.077   5.777  10.660
  822    HG3  GLU 103           3HG      GLU 103  17.633   6.304   9.033
  823    H    GLY 104           H        GLY 104  22.002   6.220   7.395
  824    HA2  GLY 104           2HA      GLY 104  24.059   5.488   6.698
  825    HA3  GLY 104           3HA      GLY 104  24.404   4.923   8.334
  826    H    LYS 105           H        LYS 105  21.548   3.470   7.256
  827    HA   LYS 105           HA       LYS 105  22.960   0.889   6.825
  828    HB2  LYS 105           2HB      LYS 105  20.016   1.379   7.356
  829    HB3  LYS 105           3HB      LYS 105  20.868  -0.158   7.437
  830    HG2  LYS 105           2HG      LYS 105  21.143   2.200   9.328
  831    HG3  LYS 105           3HG      LYS 105  20.401   0.641   9.654
  832    HD2  LYS 105           2HD      LYS 105  22.620  -0.474   9.456
  833    HD3  LYS 105           3HD      LYS 105  23.365   1.083   9.072
  834    HE2  LYS 105           2HE      LYS 105  23.819   0.682  11.361
  835    HE3  LYS 105           3HE      LYS 105  22.634   1.986  11.273
  836    HZ1  LYS 105           3HZ      LYS 105  22.065   0.336  12.975
  837    HZ2  LYS 105           1HZ      LYS 105  20.903   0.355  11.834
  838    HZ3  LYS 105           2HZ      LYS 105  21.999  -0.862  11.872
  839    H    ARG 106           H        ARG 106  21.541   3.162   4.778
  840    HA   ARG 106           HA       ARG 106  20.194   1.417   2.901
  841    HB2  ARG 106           2HB      ARG 106  21.404   4.182   2.469
  842    HB3  ARG 106           3HB      ARG 106  20.317   3.363   1.358
  843    HG2  ARG 106           2HG      ARG 106  19.607   4.385   4.136
  844    HG3  ARG 106           3HG      ARG 106  19.146   5.067   2.584
  845    HD2  ARG 106           2HD      ARG 106  17.210   3.959   3.015
  846    HD3  ARG 106           3HD      ARG 106  18.060   2.679   2.166
  847    HE   ARG 106           HE       ARG 106  18.168   1.451   4.161
  848   HH11  ARG 106          1HH2      ARG 106  17.020   4.713   5.011
  849   HH12  ARG 106          2HH2      ARG 106  16.873   4.215   6.698
  850   HH21  ARG 106          1HH1      ARG 106  17.684   1.009   6.356
  851   HH22  ARG 106          2HH1      ARG 106  17.141   2.366   7.349
  852    H    LYS 107           H        LYS 107  23.531   2.528   3.056
  853    HA   LYS 107           HA       LYS 107  25.397   2.184   1.774
  854    HB2  LYS 107           2HB      LYS 107  24.157  -0.524   2.103
  855    HB3  LYS 107           3HB      LYS 107  25.443  -0.400   0.924
  856    HG2  LYS 107           2HG      LYS 107  26.442  -1.043   2.959
  857    HG3  LYS 107           3HG      LYS 107  26.949   0.609   2.607
  858    HD2  LYS 107           2HD      LYS 107  25.273   1.448   4.278
  859    HD3  LYS 107           3HD      LYS 107  24.817  -0.238   4.624
  860    HE2  LYS 107           2HE      LYS 107  27.217  -0.695   5.241
  861    HE3  LYS 107           3HE      LYS 107  27.587   1.009   4.952
  862    HZ1  LYS 107           3HZ      LYS 107  25.769  -0.057   7.040
  863    HZ2  LYS 107           1HZ      LYS 107  27.199   0.692   7.284
  864    HZ3  LYS 107           2HZ      LYS 107  25.919   1.542   6.708
  865    H    GLY 108           H        GLY 108  22.999   3.144   0.255
  866    HA2  GLY 108           2HA      GLY 108  23.497   2.340  -2.508
  867    HA3  GLY 108           3HA      GLY 108  22.496   3.682  -1.958
  868    H    ASP 109           H        ASP 109  25.143   3.037  -3.721
  869    HA   ASP 109           HA       ASP 109  26.815   5.329  -3.059
  870    HB2  ASP 109           2HB      ASP 109  27.672   3.212  -4.027
  871    HB3  ASP 109           3HB      ASP 109  26.800   3.552  -5.521
  872    H    GLU 110           H        GLU 110  24.396   6.370  -3.148
  873    HA   GLU 110           HA       GLU 110  24.294   8.183  -5.471
  874    HB2  GLU 110           2HB      GLU 110  22.968   6.163  -6.094
  875    HB3  GLU 110           3HB      GLU 110  21.993   6.354  -4.641
  876    HG2  GLU 110           2HG      GLU 110  20.816   7.122  -6.636
  877    HG3  GLU 110           3HG      GLU 110  21.045   8.430  -5.494
  878    H    VAL 111           H        VAL 111  22.948  10.036  -5.094
  879    HA   VAL 111           HA       VAL 111  22.706  11.922  -3.848
  880    HB   VAL 111           HB       VAL 111  20.749  11.927  -2.344
  881   HG11  VAL 111          1HG1      VAL 111  20.337  10.522  -5.000
  882   HG12  VAL 111          2HG1      VAL 111  19.128  11.438  -4.081
  883   HG13  VAL 111          3HG1      VAL 111  20.542  12.267  -4.752
  884   HG21  VAL 111          3HG2      VAL 111  20.916   9.614  -1.405
  885   HG22  VAL 111          1HG2      VAL 111  19.330   9.985  -2.095
  886   HG23  VAL 111          2HG2      VAL 111  20.466   8.966  -2.997
  887    H    ASP 112           H        ASP 112  25.003  10.859  -3.041
  888    HA   ASP 112           HA       ASP 112  25.090  10.762  -0.096
  889    HB2  ASP 112           2HB      ASP 112  26.127   9.032  -1.686
  890    HB3  ASP 112           3HB      ASP 112  27.382  10.225  -2.000
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  -5.995   4.567  23.027
    2    H2   GLY   1           H2       GLY   1  -4.918   4.467  24.257
    3    H3   GLY   1           H3       GLY   1  -6.152   3.393  24.159
    4    HA2  GLY   1           2HA      GLY   1  -4.095   2.356  23.460
    5    HA3  GLY   1           3HA      GLY   1  -5.275   2.444  22.139
    6    H    SER   2           H        SER   2  -2.269   2.346  22.141
    7    HA   SER   2           HA       SER   2  -1.193   4.870  21.349
    8    HB2  SER   2           2HB      SER   2  -0.219   2.070  20.671
    9    HB3  SER   2           3HB      SER   2   0.725   3.568  20.559
   10    HG   SER   2           HG       SER   2   1.108   2.436  22.530
   11    H    LYS   3           H        LYS   3  -0.579   5.681  19.335
   12    HA   LYS   3           HA       LYS   3  -2.368   5.109  17.085
   13    HB2  LYS   3           2HB      LYS   3   0.029   6.987  17.246
   14    HB3  LYS   3           3HB      LYS   3  -1.192   6.967  15.980
   15    HG2  LYS   3           2HG      LYS   3  -1.632   7.734  18.898
   16    HG3  LYS   3           3HG      LYS   3  -1.551   8.820  17.514
   17    HD2  LYS   3           2HD      LYS   3  -3.600   7.741  16.561
   18    HD3  LYS   3           3HD      LYS   3  -3.710   6.722  18.018
   19    HE2  LYS   3           2HE      LYS   3  -3.853   8.751  19.434
   20    HE3  LYS   3           3HE      LYS   3  -3.745   9.771  17.993
   21    HZ1  LYS   3           3HZ      LYS   3  -5.938   7.842  18.552
   22    HZ2  LYS   3           1HZ      LYS   3  -6.050   9.464  18.686
   23    HZ3  LYS   3           2HZ      LYS   3  -5.837   8.786  17.219
   24    H    ALA   4           H        ALA   4  -1.756   4.511  14.985
   25    HA   ALA   4           HA       ALA   4   0.236   2.388  14.924
   26    HB1  ALA   4           1HB      ALA   4  -1.740   3.328  12.810
   27    HB2  ALA   4           2HB      ALA   4  -0.825   1.804  12.799
   28    HB3  ALA   4           3HB      ALA   4  -2.052   2.088  14.048
   29    H    GLU   5           H        GLU   5   1.566   4.733  15.250
   30    HA   GLU   5           HA       GLU   5   3.128   6.181  14.578
   31    HB2  GLU   5           2HB      GLU   5   3.626   4.276  12.274
   32    HB3  GLU   5           3HB      GLU   5   4.636   5.658  12.702
   33    HG2  GLU   5           2HG      GLU   5   4.927   4.677  15.004
   34    HG3  GLU   5           3HG      GLU   5   4.066   3.236  14.459
   35    H    LYS   6           H        LYS   6   3.816   7.862  13.031
   36    HA   LYS   6           HA       LYS   6   1.415   9.237  12.190
   37    HB2  LYS   6           2HB      LYS   6   3.300  10.360  13.328
   38    HB3  LYS   6           3HB      LYS   6   4.330  10.082  11.912
   39    HG2  LYS   6           2HG      LYS   6   2.848  11.475  10.523
   40    HG3  LYS   6           3HG      LYS   6   1.711  11.653  11.873
   41    HD2  LYS   6           2HD      LYS   6   3.447  12.866  13.168
   42    HD3  LYS   6           3HD      LYS   6   4.581  12.690  11.806
   43    HE2  LYS   6           2HE      LYS   6   3.012  13.922  10.332
   44    HE3  LYS   6           3HE      LYS   6   1.859  14.075  11.662
   45    HZ1  LYS   6           3HZ      LYS   6   3.503  15.414  12.855
   46    HZ2  LYS   6           1HZ      LYS   6   4.584  15.261  11.619
   47    HZ3  LYS   6           2HZ      LYS   6   3.201  16.077  11.389
   48    H    THR   7           H        THR   7   0.622   9.684  10.265
   49    HA   THR   7           HA       THR   7   1.797   8.455   7.798
   50    HB   THR   7           HB       THR   7  -1.051   9.299   8.363
   51    HG1  THR   7           1HG      THR   7  -0.357   7.546   9.657
   52   HG21  THR   7          1HG2      THR   7  -0.117   8.844   5.836
   53   HG22  THR   7          2HG2      THR   7  -0.495   7.212   6.303
   54   HG23  THR   7          3HG2      THR   7  -1.738   8.486   6.365
   55    H    LEU   8           H        LEU   8   1.897   9.708   5.882
   56    HA   LEU   8           HA       LEU   8   1.995  12.604   6.215
   57    HB2  LEU   8           2HB      LEU   8   2.915  12.753   4.164
   58    HB3  LEU   8           3HB      LEU   8   3.391  11.124   4.608
   59    HG   LEU   8           HG       LEU   8   1.094  11.916   2.754
   60   HD11  LEU   8          1HD1      LEU   8   3.720  10.568   2.093
   61   HD12  LEU   8          2HD1      LEU   8   2.437  11.020   0.960
   62   HD13  LEU   8          3HD1      LEU   8   3.349  12.282   1.804
   63   HD21  LEU   8          3HD2      LEU   8   2.151   9.171   3.522
   64   HD22  LEU   8          1HD2      LEU   8   0.525   9.776   3.825
   65   HD23  LEU   8          2HD2      LEU   8   1.040   9.476   2.170
   66    H    GLY   9           H        GLY   9  -0.699  10.580   5.587
   67    HA2  GLY   9           2HA      GLY   9  -2.929  11.240   5.521
   68    HA3  GLY   9           3HA      GLY   9  -2.460  12.891   5.144
   69    H    ASP  10           H        ASP  10  -1.389  10.071   3.193
   70    HA   ASP  10           HA       ASP  10  -3.196  10.835   0.983
   71    HB2  ASP  10           2HB      ASP  10  -0.368  11.503   1.154
   72    HB3  ASP  10           3HB      ASP  10  -0.599  10.316  -0.117
   73    H    PHE  11           H        PHE  11  -1.361   8.299   2.617
   74    HA   PHE  11           HA       PHE  11  -2.699   6.324   0.922
   75    HB2  PHE  11           2HB      PHE  11  -0.436   5.091   0.655
   76    HB3  PHE  11           3HB      PHE  11  -0.920   6.337  -0.433
   77    HD1  PHE  11           HD2      PHE  11   1.175   6.111   2.745
   78    HD2  PHE  11           HD1      PHE  11   0.635   7.796  -1.190
   79    HE1  PHE  11           HE2      PHE  11   3.459   7.055   2.824
   80    HE2  PHE  11           HE1      PHE  11   2.891   8.809  -1.063
   81    HZ   PHE  11           HZ       PHE  11   4.310   8.420   0.934
   82    H    ALA  12           H        ALA  12  -2.642   4.154   1.683
   83    HA   ALA  12           HA       ALA  12  -2.450   3.901   4.644
   84    HB1  ALA  12           1HB      ALA  12  -4.930   3.391   2.959
   85    HB2  ALA  12           2HB      ALA  12  -4.787   3.164   4.710
   86    HB3  ALA  12           3HB      ALA  12  -4.684   4.796   4.010
   87    H    ALA  13           H        ALA  13  -2.672   1.733   5.461
   88    HA   ALA  13           HA       ALA  13  -2.260  -0.504   3.548
   89    HB1  ALA  13           1HB      ALA  13  -0.639   0.069   6.070
   90    HB2  ALA  13           2HB      ALA  13  -0.380  -1.228   4.871
   91    HB3  ALA  13           3HB      ALA  13  -0.107   0.467   4.427
   92    H    GLU  14           H        GLU  14  -3.329  -2.366   4.090
   93    HA   GLU  14           HA       GLU  14  -4.228  -2.922   6.850
   94    HB2  GLU  14           2HB      GLU  14  -5.989  -1.408   5.627
   95    HB3  GLU  14           3HB      GLU  14  -6.267  -2.811   4.595
   96    HG2  GLU  14           2HG      GLU  14  -6.713  -4.107   6.816
   97    HG3  GLU  14           3HG      GLU  14  -6.673  -2.537   7.601
   98    H    TYR  15           H        TYR  15  -4.680  -5.262   7.119
   99    HA   TYR  15           HA       TYR  15  -4.140  -7.074   4.934
  100    HB2  TYR  15           2HB      TYR  15  -5.289  -7.316   7.684
  101    HB3  TYR  15           3HB      TYR  15  -5.717  -8.554   6.510
  102    HD1  TYR  15           HD1      TYR  15  -2.499  -6.651   6.944
  103    HD2  TYR  15           HD2      TYR  15  -4.484 -10.475   7.000
  104    HE1  TYR  15           HE1      TYR  15  -0.314  -7.743   7.078
  105    HE2  TYR  15           HE2      TYR  15  -2.272 -11.603   7.185
  106    HH   TYR  15           HH       TYR  15   0.807  -9.825   6.972
  107    H    ALA  16           H        ALA  16  -5.304  -7.844   3.355
  108    HA   ALA  16           HA       ALA  16  -7.736  -6.634   2.493
  109    HB1  ALA  16           1HB      ALA  16  -6.340  -9.184   1.664
  110    HB2  ALA  16           2HB      ALA  16  -7.615  -8.370   0.728
  111    HB3  ALA  16           3HB      ALA  16  -6.045  -7.572   0.987
  112    H    LYS  17           H        LYS  17  -9.653  -6.882   3.482
  113    HA   LYS  17           HA       LYS  17 -10.300  -9.225   5.087
  114    HB2  LYS  17           2HB      LYS  17 -11.975  -6.780   4.383
  115    HB3  LYS  17           3HB      LYS  17 -12.379  -8.007   5.593
  116    HG2  LYS  17           2HG      LYS  17 -10.176  -7.478   6.750
  117    HG3  LYS  17           3HG      LYS  17 -10.002  -6.095   5.670
  118    HD2  LYS  17           2HD      LYS  17 -12.289  -6.572   7.623
  119    HD3  LYS  17           3HD      LYS  17 -10.925  -5.498   7.902
  120    HE2  LYS  17           2HE      LYS  17 -12.963  -5.155   5.654
  121    HE3  LYS  17           3HE      LYS  17 -13.051  -4.353   7.224
  122    HZ1  LYS  17           3HZ      LYS  17 -10.825  -3.982   5.284
  123    HZ2  LYS  17           1HZ      LYS  17 -12.007  -2.897   5.616
  124    HZ3  LYS  17           2HZ      LYS  17 -10.878  -3.293   6.731
  125    H    SER  18           H        SER  18 -10.953  -8.399   1.804
  126    HA   SER  18           HA       SER  18 -12.409 -10.949   1.394
  127    HB2  SER  18           2HB      SER  18 -13.455  -8.251   0.433
  128    HB3  SER  18           3HB      SER  18 -14.097  -9.835  -0.039
  129    HG   SER  18           HG       SER  18 -15.296  -8.875   1.671
  130    H    ASN  19           H        ASN  19 -12.173 -11.797  -0.709
  131    HA   ASN  19           HA       ASN  19  -9.978 -10.754  -2.346
  132    HB2  ASN  19           2HB      ASN  19 -10.273 -13.180  -1.834
  133    HB3  ASN  19           3HB      ASN  19 -11.810 -13.149  -2.719
  134   HD21  ASN  19          2HD2      ASN  19  -8.587 -11.704  -3.646
  135   HD22  ASN  19          1HD2      ASN  19  -8.444 -12.747  -5.046
  136    H    ARG  20           H        ARG  20 -11.957  -8.873  -2.255
  137    HA   ARG  20           HA       ARG  20 -13.265  -8.925  -4.961
  138    HB2  ARG  20           2HB      ARG  20 -14.147  -7.497  -2.418
  139    HB3  ARG  20           3HB      ARG  20 -14.944  -7.355  -3.978
  140    HG2  ARG  20           2HG      ARG  20 -14.757  -9.934  -2.349
  141    HG3  ARG  20           3HG      ARG  20 -16.125  -8.830  -2.402
  142    HD2  ARG  20           2HD      ARG  20 -16.726 -10.559  -3.848
  143    HD3  ARG  20           3HD      ARG  20 -16.242  -9.227  -4.915
  144    HE   ARG  20           HE       ARG  20 -13.946 -10.809  -4.502
  145   HH11  ARG  20          1HH2      ARG  20 -17.043 -11.361  -6.047
  146   HH12  ARG  20          2HH2      ARG  20 -16.358 -12.511  -7.163
  147   HH21  ARG  20          1HH1      ARG  20 -13.153 -12.185  -5.894
  148   HH22  ARG  20          2HH1      ARG  20 -14.174 -12.989  -7.072
  149    H    SER  21           H        SER  21 -11.047  -7.221  -2.952
  150    HA   SER  21           HA       SER  21 -10.929  -4.779  -4.524
  151    HB2  SER  21           2HB      SER  21  -8.810  -6.060  -2.751
  152    HB3  SER  21           3HB      SER  21  -8.800  -4.397  -3.369
  153    HG   SER  21           HG       SER  21 -10.906  -4.202  -2.249
  154    H    THR  22           H        THR  22  -9.325  -4.177  -6.026
  155    HA   THR  22           HA       THR  22  -7.697  -6.339  -7.287
  156    HB   THR  22           HB       THR  22  -9.313  -4.266  -8.758
  157    HG1  THR  22           1HG      THR  22 -10.544  -6.019  -9.459
  158   HG21  THR  22          1HG2      THR  22  -7.252  -4.894 -10.007
  159   HG22  THR  22          2HG2      THR  22  -7.735  -6.604  -9.894
  160   HG23  THR  22          3HG2      THR  22  -8.716  -5.455 -10.818
  161    H    CYS  23           HN       CYS  23  -5.693  -5.778  -7.789
  162    HA   CYS  23           HA       CYS  23  -4.581  -3.328  -6.805
  163    HB2  CYS  23           2HB      CYS  23  -3.405  -5.400  -6.678
  164    HB3  CYS  23           3HB      CYS  23  -3.642  -5.702  -8.401
  165    H    LYS  24           H        LYS  24  -4.832  -1.493  -7.778
  166    HA   LYS  24           HA       LYS  24  -5.339  -1.130 -10.624
  167    HB2  LYS  24           2HB      LYS  24  -4.792   0.843  -8.393
  168    HB3  LYS  24           3HB      LYS  24  -5.419   1.247 -10.000
  169    HG2  LYS  24           2HG      LYS  24  -6.853  -0.420  -7.880
  170    HG3  LYS  24           3HG      LYS  24  -7.215   1.236  -8.332
  171    HD2  LYS  24           2HD      LYS  24  -7.800   0.477 -10.640
  172    HD3  LYS  24           3HD      LYS  24  -7.544  -1.208 -10.117
  173    HE2  LYS  24           2HE      LYS  24  -9.269  -0.969  -8.383
  174    HE3  LYS  24           3HE      LYS  24  -9.502   0.732  -8.813
  175    HZ1  LYS  24           3HZ      LYS  24 -10.051  -1.562 -10.629
  176    HZ2  LYS  24           1HZ      LYS  24 -11.182  -0.680  -9.853
  177    HZ3  LYS  24           2HZ      LYS  24 -10.269   0.014 -11.010
  178    H    GLY  25           H        GLY  25  -2.537  -1.726  -8.886
  179    HA2  GLY  25           2HA      GLY  25  -0.638  -0.237 -10.546
  180    HA3  GLY  25           3HA      GLY  25  -0.285  -1.576  -9.450
  181    H    CYS  26           HN       CYS  26  -1.621  -3.673 -10.375
  182    HA   CYS  26           HA       CYS  26  -0.554  -4.051 -13.135
  183    HB2  CYS  26           2HB      CYS  26   0.241  -6.176 -12.634
  184    HB3  CYS  26           3HB      CYS  26   0.817  -5.084 -11.375
  185    H    MET  27           H        MET  27  -3.548  -3.994 -11.743
  186    HA   MET  27           HA       MET  27  -5.603  -4.634 -12.382
  187    HB2  MET  27           2HB      MET  27  -4.411  -5.446 -15.046
  188    HB3  MET  27           3HB      MET  27  -6.113  -5.226 -14.703
  189    HG2  MET  27           2HG      MET  27  -4.156  -2.929 -14.397
  190    HG3  MET  27           3HG      MET  27  -4.824  -3.406 -15.946
  191    HE1  MET  27           3HE      MET  27  -6.986  -1.063 -12.675
  192    HE2  MET  27           1HE      MET  27  -6.273  -2.622 -12.221
  193    HE3  MET  27           2HE      MET  27  -5.240  -1.326 -12.873
  194    H    GLU  28           H        GLU  28  -4.438  -6.379 -10.680
  195    HA   GLU  28           HA       GLU  28  -5.772  -8.921 -11.476
  196    HB2  GLU  28           2HB      GLU  28  -2.998  -8.793 -10.230
  197    HB3  GLU  28           3HB      GLU  28  -4.029 -10.224 -10.285
  198    HG2  GLU  28           2HG      GLU  28  -4.093 -10.017 -12.803
  199    HG3  GLU  28           3HG      GLU  28  -2.897  -8.722 -12.676
  200    H    LYS  29           H        LYS  29  -6.680 -10.115  -9.751
  201    HA   LYS  29           HA       LYS  29  -7.748  -8.318  -7.788
  202    HB2  LYS  29           2HB      LYS  29  -9.110 -10.130  -7.001
  203    HB3  LYS  29           3HB      LYS  29  -9.166 -10.011  -8.758
  204    HG2  LYS  29           2HG      LYS  29  -7.673 -11.957  -8.983
  205    HG3  LYS  29           3HG      LYS  29  -7.474 -12.035  -7.221
  206    HD2  LYS  29           2HD      LYS  29  -9.940 -12.382  -6.984
  207    HD3  LYS  29           3HD      LYS  29 -10.079 -12.459  -8.748
  208    HE2  LYS  29           2HE      LYS  29  -8.714 -14.441  -8.865
  209    HE3  LYS  29           3HE      LYS  29  -8.181 -14.262  -7.190
  210    HZ1  LYS  29           3HZ      LYS  29 -10.969 -14.880  -8.000
  211    HZ2  LYS  29           1HZ      LYS  29  -9.907 -15.951  -7.376
  212    HZ3  LYS  29           2HZ      LYS  29 -10.441 -14.710  -6.452
  213    H    ILE  30           H        ILE  30  -7.410  -8.027  -5.714
  214    HA   ILE  30           HA       ILE  30  -4.880  -8.976  -4.599
  215    HB   ILE  30           HB       ILE  30  -7.018  -7.039  -3.723
  216   HG12  ILE  30          2HG1      ILE  30  -4.034  -6.635  -4.237
  217   HG13  ILE  30          3HG1      ILE  30  -5.221  -6.568  -5.530
  218   HG21  ILE  30          1HG2      ILE  30  -4.527  -7.717  -2.110
  219   HG22  ILE  30          2HG2      ILE  30  -5.727  -6.448  -1.764
  220   HG23  ILE  30          3HG2      ILE  30  -6.192  -8.134  -1.632
  221   HD11  ILE  30          3HD1      ILE  30  -6.373  -4.691  -4.437
  222   HD12  ILE  30          1HD1      ILE  30  -5.146  -4.695  -3.139
  223   HD13  ILE  30          2HD1      ILE  30  -4.678  -4.343  -4.812
  224    H    GLU  31           H        GLU  31  -4.523 -10.545  -3.145
  225    HA   GLU  31           HA       GLU  31  -6.585 -12.514  -2.702
  226    HB2  GLU  31           2HB      GLU  31  -3.813 -12.437  -1.481
  227    HB3  GLU  31           3HB      GLU  31  -4.892 -13.826  -1.635
  228    HG2  GLU  31           2HG      GLU  31  -4.708 -13.463  -4.183
  229    HG3  GLU  31           3HG      GLU  31  -3.391 -12.335  -3.804
  230    H    LYS  32           H        LYS  32  -7.648 -13.054  -0.879
  231    HA   LYS  32           HA       LYS  32  -7.934 -11.171   1.317
  232    HB2  LYS  32           2HB      LYS  32  -9.788 -12.593   0.537
  233    HB3  LYS  32           3HB      LYS  32  -8.904 -14.048   1.018
  234    HG2  LYS  32           2HG      LYS  32  -8.995 -13.350   3.383
  235    HG3  LYS  32           3HG      LYS  32  -9.788 -11.830   2.922
  236    HD2  LYS  32           2HD      LYS  32 -11.728 -13.084   2.090
  237    HD3  LYS  32           3HD      LYS  32 -10.914 -14.624   2.460
  238    HE2  LYS  32           2HE      LYS  32 -10.844 -14.051   4.850
  239    HE3  LYS  32           3HE      LYS  32 -11.551 -12.467   4.522
  240    HZ1  LYS  32           3HZ      LYS  32 -12.925 -15.058   4.037
  241    HZ2  LYS  32           1HZ      LYS  32 -13.226 -14.054   5.287
  242    HZ3  LYS  32           2HZ      LYS  32 -13.573 -13.579   3.766
  243    H    GLY  33           H        GLY  33  -7.273 -11.312   3.405
  244    HA2  GLY  33           2HA      GLY  33  -6.143 -12.004   5.295
  245    HA3  GLY  33           3HA      GLY  33  -5.900 -13.580   4.544
  246    H    GLN  34           H        GLN  34  -4.642 -10.928   2.744
  247    HA   GLN  34           HA       GLN  34  -2.020 -10.919   4.096
  248    HB2  GLN  34           2HB      GLN  34  -0.779 -11.023   2.004
  249    HB3  GLN  34           3HB      GLN  34  -1.685 -12.486   2.328
  250    HG2  GLN  34           2HG      GLN  34  -1.920 -12.165   0.016
  251    HG3  GLN  34           3HG      GLN  34  -3.457 -11.655   0.680
  252   HE21  GLN  34          1HE2      GLN  34  -4.143  -9.508   0.154
  253   HE22  GLN  34          2HE2      GLN  34  -2.999  -8.286  -0.422
  254    H    VAL  35           H        VAL  35  -0.690  -8.973   3.383
  255    HA   VAL  35           HA       VAL  35  -2.294  -6.662   3.886
  256    HB   VAL  35           HB       VAL  35  -0.139  -6.758   4.799
  257   HG11  VAL  35          1HG1      VAL  35   1.020  -6.849   2.000
  258   HG12  VAL  35          2HG1      VAL  35   1.947  -6.596   3.498
  259   HG13  VAL  35          3HG1      VAL  35   1.107  -8.122   3.243
  260   HG21  VAL  35          3HG2      VAL  35  -0.021  -4.593   2.668
  261   HG22  VAL  35          1HG2      VAL  35  -0.987  -4.501   4.161
  262   HG23  VAL  35          2HG2      VAL  35   0.778  -4.611   4.244
  263    H    ARG  36           H        ARG  36  -2.995  -5.004   2.733
  264    HA   ARG  36           HA       ARG  36  -2.337  -4.703  -0.143
  265    HB2  ARG  36           2HB      ARG  36  -4.651  -4.069  -0.630
  266    HB3  ARG  36           3HB      ARG  36  -4.510  -5.747  -0.092
  267    HG2  ARG  36           2HG      ARG  36  -5.448  -5.261   2.056
  268    HG3  ARG  36           3HG      ARG  36  -5.330  -3.523   1.802
  269    HD2  ARG  36           2HD      ARG  36  -6.985  -3.778  -0.102
  270    HD3  ARG  36           3HD      ARG  36  -7.233  -5.449   0.426
  271    HE   ARG  36           HE       ARG  36  -7.564  -3.949   2.745
  272   HH11  ARG  36          1HH2      ARG  36  -9.294  -3.875  -0.343
  273   HH12  ARG  36          2HH2      ARG  36 -10.535  -2.878   0.333
  274   HH21  ARG  36          1HH1      ARG  36  -9.268  -2.842   3.512
  275   HH22  ARG  36          2HH1      ARG  36 -10.547  -2.331   2.426
  276    H    LEU  37           H        LEU  37  -2.165  -2.562  -0.846
  277    HA   LEU  37           HA       LEU  37  -2.266  -0.447   1.270
  278    HB2  LEU  37           2HB      LEU  37  -0.437  -0.423  -1.148
  279    HB3  LEU  37           3HB      LEU  37  -0.481   0.665   0.260
  280    HG   LEU  37           HG       LEU  37   1.450  -0.516   0.464
  281   HD11  LEU  37          1HD1      LEU  37  -0.402  -1.984   2.348
  282   HD12  LEU  37          2HD1      LEU  37   1.279  -1.466   2.603
  283   HD13  LEU  37          3HD1      LEU  37  -0.007  -0.255   2.445
  284   HD21  LEU  37          3HD2      LEU  37   0.977  -2.451  -1.019
  285   HD22  LEU  37          1HD2      LEU  37   1.769  -2.876   0.516
  286   HD23  LEU  37          2HD2      LEU  37   0.051  -3.216   0.294
  287    H    SER  38           H        SER  38  -2.892   1.693   0.587
  288    HA   SER  38           HA       SER  38  -3.893   1.933  -2.164
  289    HB2  SER  38           2HB      SER  38  -5.986   2.967  -1.538
  290    HB3  SER  38           3HB      SER  38  -5.876   1.350  -0.845
  291    HG   SER  38           HG       SER  38  -6.617   2.778   0.724
  292    H    LYS  39           H        LYS  39  -4.182   4.013  -2.957
  293    HA   LYS  39           HA       LYS  39  -2.874   6.289  -1.486
  294    HB2  LYS  39           2HB      LYS  39  -1.404   5.638  -3.311
  295    HB3  LYS  39           3HB      LYS  39  -2.773   5.461  -4.399
  296    HG2  LYS  39           2HG      LYS  39  -1.797   7.375  -5.150
  297    HG3  LYS  39           3HG      LYS  39  -3.140   7.988  -4.213
  298    HD2  LYS  39           2HD      LYS  39  -1.557   8.564  -2.367
  299    HD3  LYS  39           3HD      LYS  39  -0.221   7.923  -3.366
  300    HE2  LYS  39           2HE      LYS  39  -0.935   9.488  -5.210
  301    HE3  LYS  39           3HE      LYS  39  -2.125  10.196  -4.101
  302    HZ1  LYS  39           3HZ      LYS  39  -0.376  11.005  -2.729
  303    HZ2  LYS  39           1HZ      LYS  39   0.796  10.180  -3.606
  304    HZ3  LYS  39           2HZ      LYS  39  -0.021  11.441  -4.245
  305    H    LYS  40           H        LYS  40  -4.095   8.093  -1.299
  306    HA   LYS  40           HA       LYS  40  -6.735   8.265  -2.652
  307    HB2  LYS  40           2HB      LYS  40  -6.820   8.663  -0.354
  308    HB3  LYS  40           3HB      LYS  40  -5.456   9.744  -0.350
  309    HG2  LYS  40           2HG      LYS  40  -8.047  10.364  -1.895
  310    HG3  LYS  40           3HG      LYS  40  -7.898  10.673  -0.171
  311    HD2  LYS  40           2HD      LYS  40  -6.443  12.055  -2.424
  312    HD3  LYS  40           3HD      LYS  40  -7.489  12.743  -1.183
  313    HE2  LYS  40           2HE      LYS  40  -5.747  12.199   0.545
  314    HE3  LYS  40           3HE      LYS  40  -4.718  11.560  -0.746
  315    HZ1  LYS  40           3HZ      LYS  40  -4.007  13.714  -0.319
  316    HZ2  LYS  40           1HZ      LYS  40  -4.758  13.796  -1.754
  317    HZ3  LYS  40           2HZ      LYS  40  -5.517  14.383  -0.415
  318    H    MET  41           H        MET  41  -6.710   9.040  -4.676
  319    HA   MET  41           HA       MET  41  -5.629  11.667  -5.211
  320    HB2  MET  41           2HB      MET  41  -4.120  11.160  -7.028
  321    HB3  MET  41           3HB      MET  41  -3.530  10.482  -5.524
  322    HG2  MET  41           2HG      MET  41  -4.405   8.248  -6.206
  323    HG3  MET  41           3HG      MET  41  -4.951   8.953  -7.732
  324    HE1  MET  41           3HE      MET  41  -3.810   7.195  -9.044
  325    HE2  MET  41           1HE      MET  41  -2.098   6.704  -8.891
  326    HE3  MET  41           2HE      MET  41  -3.238   6.437  -7.543
  327    H    VAL  42           H        VAL  42  -6.482  12.609  -7.168
  328    HA   VAL  42           HA       VAL  42  -8.764  11.510  -8.369
  329    HB   VAL  42           HB       VAL  42  -6.792  13.466  -9.613
  330   HG11  VAL  42          1HG1      VAL  42  -8.300  12.588 -11.322
  331   HG12  VAL  42          2HG1      VAL  42  -9.711  12.872 -10.273
  332   HG13  VAL  42          3HG1      VAL  42  -8.774  14.236 -10.922
  333   HG21  VAL  42          3HG2      VAL  42  -9.310  13.989  -7.976
  334   HG22  VAL  42          1HG2      VAL  42  -7.641  14.332  -7.469
  335   HG23  VAL  42          2HG2      VAL  42  -8.346  15.217  -8.817
  336    H    ASP  43           H        ASP  43  -9.076   9.976  -9.948
  337    HA   ASP  43           HA       ASP  43  -6.828   8.397 -10.862
  338    HB2  ASP  43           2HB      ASP  43  -9.041   7.428 -10.379
  339    HB3  ASP  43           3HB      ASP  43  -9.728   8.302 -11.747
  340    HA   PRO  44           HA       PRO  44  -5.937  11.000 -14.323
  341    HB2  PRO  44           2HB      PRO  44  -3.984   9.539 -15.597
  342    HB3  PRO  44           3HB      PRO  44  -3.741  10.324 -14.007
  343    HG2  PRO  44           2HG      PRO  44  -4.540   7.436 -14.542
  344    HG3  PRO  44           3HG      PRO  44  -3.215   8.038 -13.486
  345    HD2  PRO  44           2HD      PRO  44  -5.626   7.372 -12.483
  346    HD3  PRO  44           3HD      PRO  44  -4.736   8.796 -11.859
  347    H    GLU  45           H        GLU  45  -7.403   7.896 -14.811
  348    HA   GLU  45           HA       GLU  45  -7.948   8.479 -17.706
  349    HB2  GLU  45           2HB      GLU  45  -8.341   5.915 -16.117
  350    HB3  GLU  45           3HB      GLU  45  -8.692   6.137 -17.824
  351    HG2  GLU  45           2HG      GLU  45  -5.943   6.245 -16.511
  352    HG3  GLU  45           3HG      GLU  45  -6.584   4.946 -17.505
  353    H    LYS  46           H        LYS  46  -9.291   8.733 -14.616
  354    HA   LYS  46           HA       LYS  46 -11.970   9.381 -15.661
  355    HB2  LYS  46           2HB      LYS  46 -11.343   7.542 -13.310
  356    HB3  LYS  46           3HB      LYS  46 -12.932   8.241 -13.553
  357    HG2  LYS  46           2HG      LYS  46 -11.674   6.490 -15.700
  358    HG3  LYS  46           3HG      LYS  46 -12.474   5.822 -14.293
  359    HD2  LYS  46           2HD      LYS  46 -14.090   5.864 -16.037
  360    HD3  LYS  46           3HD      LYS  46 -14.541   7.041 -14.813
  361    HE2  LYS  46           2HE      LYS  46 -15.019   8.028 -16.909
  362    HE3  LYS  46           3HE      LYS  46 -13.606   8.862 -16.265
  363    HZ1  LYS  46           3HZ      LYS  46 -12.209   7.606 -17.764
  364    HZ2  LYS  46           1HZ      LYS  46 -13.467   6.678 -18.280
  365    HZ3  LYS  46           2HZ      LYS  46 -13.408   8.267 -18.645
  366    HA   PRO  47           HA       PRO  47 -10.167  12.559 -12.742
  367    HB2  PRO  47           2HB      PRO  47 -10.087  14.725 -14.432
  368    HB3  PRO  47           3HB      PRO  47  -8.764  13.530 -14.270
  369    HG2  PRO  47           2HG      PRO  47 -10.979  13.576 -16.351
  370    HG3  PRO  47           3HG      PRO  47  -9.209  13.395 -16.615
  371    HD2  PRO  47           2HD      PRO  47 -10.841  11.247 -16.539
  372    HD3  PRO  47           3HD      PRO  47  -9.210  11.200 -15.802
  373    H    GLN  48           H        GLN  48 -13.039  11.974 -14.414
  374    HA   GLN  48           HA       GLN  48 -14.575  14.361 -13.671
  375    HB2  GLN  48           2HB      GLN  48 -15.385  11.607 -14.706
  376    HB3  GLN  48           3HB      GLN  48 -16.470  12.989 -14.534
  377    HG2  GLN  48           2HG      GLN  48 -15.232  14.247 -16.229
  378    HG3  GLN  48           3HG      GLN  48 -14.021  12.971 -16.362
  379   HE21  GLN  48          2HE2      GLN  48 -17.435  13.778 -17.094
  380   HE22  GLN  48          1HE2      GLN  48 -17.634  12.452 -18.232
  381    H    LEU  49           H        LEU  49 -13.612  11.370 -12.153
  382    HA   LEU  49           HA       LEU  49 -15.855  11.050 -10.373
  383    HB2  LEU  49           2HB      LEU  49 -14.584   9.306 -11.586
  384    HB3  LEU  49           3HB      LEU  49 -13.099   9.817 -10.774
  385    HG   LEU  49           HG       LEU  49 -13.859   9.023  -8.662
  386   HD11  LEU  49          1HD1      LEU  49 -16.269   9.396  -8.794
  387   HD12  LEU  49          2HD1      LEU  49 -16.409   8.242 -10.143
  388   HD13  LEU  49          3HD1      LEU  49 -15.973   7.675  -8.507
  389   HD21  LEU  49          3HD2      LEU  49 -14.239   7.087 -10.989
  390   HD22  LEU  49          1HD2      LEU  49 -12.707   7.540 -10.220
  391   HD23  LEU  49          2HD2      LEU  49 -13.914   6.599  -9.306
  392    H    GLY  50           H        GLY  50 -12.799  12.746 -10.240
  393    HA2  GLY  50           2HA      GLY  50 -11.753  13.929  -8.532
  394    HA3  GLY  50           3HA      GLY  50 -13.042  13.475  -7.417
  395    H    MET  51           H        MET  51 -11.290  13.118  -5.944
  396    HA   MET  51           HA       MET  51  -9.200  11.305  -6.268
  397    HB2  MET  51           2HB      MET  51 -10.274  12.031  -3.546
  398    HB3  MET  51           3HB      MET  51  -8.613  11.793  -4.075
  399    HG2  MET  51           2HG      MET  51  -9.146  13.953  -5.570
  400    HG3  MET  51           3HG      MET  51 -10.433  14.181  -4.389
  401    HE1  MET  51           3HE      MET  51  -5.896  14.446  -3.845
  402    HE2  MET  51           1HE      MET  51  -6.795  13.154  -4.688
  403    HE3  MET  51           2HE      MET  51  -6.806  14.800  -5.334
  404    H    ILE  52           H        ILE  52  -8.991   9.149  -5.998
  405    HA   ILE  52           HA       ILE  52 -11.190   7.716  -4.590
  406    HB   ILE  52           HB       ILE  52 -10.707   5.770  -6.047
  407   HG12  ILE  52          2HG1      ILE  52  -9.323   7.666  -7.981
  408   HG13  ILE  52          3HG1      ILE  52  -8.405   6.698  -6.825
  409   HG21  ILE  52          1HG2      ILE  52 -12.627   7.256  -6.347
  410   HG22  ILE  52          2HG2      ILE  52 -11.707   8.227  -7.531
  411   HG23  ILE  52          3HG2      ILE  52 -12.092   6.524  -7.866
  412   HD11  ILE  52          3HD1      ILE  52  -8.520   5.520  -8.928
  413   HD12  ILE  52          1HD1      ILE  52  -9.420   4.631  -7.679
  414   HD13  ILE  52          2HD1      ILE  52 -10.292   5.569  -8.921
  415    H    ASP  53           H        ASP  53 -10.676   5.734  -3.681
  416    HA   ASP  53           HA       ASP  53  -7.996   5.665  -2.354
  417    HB2  ASP  53           2HB      ASP  53 -10.578   4.156  -1.772
  418    HB3  ASP  53           3HB      ASP  53  -9.053   3.923  -0.918
  419    H    ARG  54           H        ARG  54  -6.864   5.085  -4.198
  420    HA   ARG  54           HA       ARG  54  -7.613   2.818  -5.889
  421    HB2  ARG  54           2HB      ARG  54  -6.301   5.213  -6.233
  422    HB3  ARG  54           3HB      ARG  54  -4.920   4.125  -6.106
  423    HG2  ARG  54           2HG      ARG  54  -5.575   2.903  -8.018
  424    HG3  ARG  54           3HG      ARG  54  -7.213   3.602  -8.023
  425    HD2  ARG  54           2HD      ARG  54  -6.191   5.855  -8.425
  426    HD3  ARG  54           3HD      ARG  54  -4.610   5.077  -8.555
  427    HE   ARG  54           HE       ARG  54  -6.800   5.059 -10.517
  428   HH11  ARG  54          1HH2      ARG  54  -3.690   3.529  -9.777
  429   HH12  ARG  54          2HH2      ARG  54  -3.532   2.995 -11.428
  430   HH21  ARG  54          1HH1      ARG  54  -6.509   4.480 -12.424
  431   HH22  ARG  54          2HH1      ARG  54  -5.106   3.549 -12.960
  432    H    TRP  55           H        TRP  55  -7.113   0.718  -5.377
  433    HA   TRP  55           HA       TRP  55  -5.151   0.197  -3.249
  434    HB2  TRP  55           2HB      TRP  55  -7.241  -1.559  -4.547
  435    HB3  TRP  55           3HB      TRP  55  -6.097  -2.126  -3.340
  436    HD1  TRP  55           HD1      TRP  55  -9.270  -0.104  -3.675
  437    HE1  TRP  55           HE1      TRP  55 -10.181   0.534  -1.370
  438    HE3  TRP  55           HE3      TRP  55  -5.338  -1.663  -0.784
  439    HZ2  TRP  55           HZ2      TRP  55  -9.282   0.479   1.375
  440    HZ3  TRP  55           HZ3      TRP  55  -5.348  -1.246   1.669
  441    HH2  TRP  55           HH2      TRP  55  -7.317  -0.215   2.762
  442    H    TYR  56           H        TYR  56  -3.566  -1.390  -3.299
  443    HA   TYR  56           HA       TYR  56  -2.444  -2.397  -5.841
  444    HB2  TYR  56           2HB      TYR  56  -0.984  -0.704  -3.765
  445    HB3  TYR  56           3HB      TYR  56  -0.245  -1.459  -5.173
  446    HD1  TYR  56           HD2      TYR  56  -0.887  -0.706  -7.470
  447    HD2  TYR  56           HD1      TYR  56  -2.108   1.422  -3.938
  448    HE1  TYR  56           HE2      TYR  56  -1.547   1.275  -8.881
  449    HE2  TYR  56           HE1      TYR  56  -2.782   3.360  -5.334
  450    HH   TYR  56           HH       TYR  56  -2.927   4.213  -7.430
  451    H    HIS  57           H        HIS  57  -0.921  -4.021  -5.583
  452    HA   HIS  57           HA       HIS  57  -0.922  -5.752  -3.217
  453    HB2  HIS  57           2HB      HIS  57   0.800  -5.723  -5.704
  454    HB3  HIS  57           3HB      HIS  57   1.005  -6.901  -4.447
  455    HD2  HIS  57           HD2      HIS  57  -1.430  -8.327  -3.807
  456    HE1  HIS  57           HE1      HIS  57  -2.683  -8.335  -7.868
  457    HE2  HIS  57           HE2      HIS  57  -2.991  -9.439  -5.624
  458    HA   PRO  58           HA       PRO  58   2.673  -4.040  -1.034
  459    HB2  PRO  58           2HB      PRO  58   4.027  -6.296  -0.221
  460    HB3  PRO  58           3HB      PRO  58   2.529  -5.675   0.535
  461    HG2  PRO  58           2HG      PRO  58   2.783  -7.828  -1.594
  462    HG3  PRO  58           3HG      PRO  58   1.858  -7.898  -0.057
  463    HD2  PRO  58           2HD      PRO  58   0.602  -7.294  -2.335
  464    HD3  PRO  58           3HD      PRO  58   0.238  -6.351  -0.869
  465    H    GLY  59           H        GLY  59   3.233  -6.212  -3.753
  466    HA2  GLY  59           2HA      GLY  59   6.024  -5.301  -4.143
  467    HA3  GLY  59           3HA      GLY  59   5.070  -6.317  -5.227
  468    H    CYS  60           HN       CYS  60   2.828  -4.809  -5.752
  469    HA   CYS  60           HA       CYS  60   3.845  -3.183  -7.758
  470    HB2  CYS  60           2HB      CYS  60   0.990  -3.352  -6.759
  471    HB3  CYS  60           3HB      CYS  60   1.501  -2.804  -8.362
  472    H    PHE  61           H        PHE  61   2.360  -2.176  -4.647
  473    HA   PHE  61           HA       PHE  61   2.193   0.582  -5.346
  474    HB2  PHE  61           2HB      PHE  61   1.453   0.921  -3.276
  475    HB3  PHE  61           3HB      PHE  61   1.334  -0.832  -3.239
  476    HD1  PHE  61           HD2      PHE  61   3.166  -2.167  -2.196
  477    HD2  PHE  61           HD1      PHE  61   3.041   2.107  -1.918
  478    HE1  PHE  61           HE2      PHE  61   4.617  -2.270  -0.153
  479    HE2  PHE  61           HE1      PHE  61   4.499   2.030   0.116
  480    HZ   PHE  61           HZ       PHE  61   5.268  -0.165   1.005
  481    H    VAL  62           H        VAL  62   4.955  -1.294  -4.102
  482    HA   VAL  62           HA       VAL  62   6.796   0.948  -3.990
  483    HB   VAL  62           HB       VAL  62   7.482  -1.985  -4.377
  484   HG11  VAL  62          1HG1      VAL  62   9.130   0.374  -3.358
  485   HG12  VAL  62          2HG1      VAL  62   9.647  -1.322  -3.352
  486   HG13  VAL  62          3HG1      VAL  62   9.384  -0.502  -4.884
  487   HG21  VAL  62          3HG2      VAL  62   7.132  -0.340  -1.833
  488   HG22  VAL  62          1HG2      VAL  62   6.197  -1.764  -2.335
  489   HG23  VAL  62          2HG2      VAL  62   7.888  -1.948  -1.902
  490    H    LYS  63           H        LYS  63   5.928  -1.356  -6.553
  491    HA   LYS  63           HA       LYS  63   7.882  -0.555  -8.477
  492    HB2  LYS  63           2HB      LYS  63   6.661  -2.684  -8.444
  493    HB3  LYS  63           3HB      LYS  63   5.152  -1.820  -8.721
  494    HG2  LYS  63           2HG      LYS  63   5.803  -1.242 -10.995
  495    HG3  LYS  63           3HG      LYS  63   7.408  -1.954 -10.736
  496    HD2  LYS  63           2HD      LYS  63   5.998  -3.550 -11.951
  497    HD3  LYS  63           3HD      LYS  63   6.381  -4.163 -10.344
  498    HE2  LYS  63           2HE      LYS  63   4.010  -2.923  -9.789
  499    HE3  LYS  63           3HE      LYS  63   3.740  -3.248 -11.490
  500    HZ1  LYS  63           3HZ      LYS  63   3.041  -5.016  -9.804
  501    HZ2  LYS  63           1HZ      LYS  63   3.956  -5.581 -11.062
  502    HZ3  LYS  63           2HZ      LYS  63   4.600  -5.351  -9.574
  503    H    ASN  64           H        ASN  64   4.664   0.805  -7.800
  504    HA   ASN  64           HA       ASN  64   5.217   2.990  -9.753
  505    HB2  ASN  64           2HB      ASN  64   2.630   3.397  -9.348
  506    HB3  ASN  64           3HB      ASN  64   3.306   2.428 -10.632
  507   HD21  ASN  64          1HD2      ASN  64   1.781   2.136  -7.367
  508   HD22  ASN  64          2HD2      ASN  64   1.079   0.577  -7.805
  509    H    ARG  65           H        ARG  65   6.112   2.622  -6.746
  510    HA   ARG  65           HA       ARG  65   4.966   4.546  -5.169
  511    HB2  ARG  65           2HB      ARG  65   7.019   4.587  -3.932
  512    HB3  ARG  65           3HB      ARG  65   6.868   2.985  -4.609
  513    HG2  ARG  65           2HG      ARG  65   8.381   3.786  -6.535
  514    HG3  ARG  65           3HG      ARG  65   8.652   5.260  -5.590
  515    HD2  ARG  65           2HD      ARG  65   9.625   4.022  -3.790
  516    HD3  ARG  65           3HD      ARG  65   9.238   2.469  -4.549
  517    HE   ARG  65           HE       ARG  65  11.477   4.237  -5.146
  518   HH11  ARG  65          1HH2      ARG  65   9.504   1.701  -6.601
  519   HH12  ARG  65          2HH2      ARG  65  10.781   1.255  -7.705
  520   HH21  ARG  65          1HH1      ARG  65  13.019   3.609  -6.602
  521   HH22  ARG  65          2HH1      ARG  65  12.696   2.312  -7.713
  522    H    GLU  66           H        GLU  66   7.175   5.169  -7.819
  523    HA   GLU  66           HA       GLU  66   7.488   7.992  -7.230
  524    HB2  GLU  66           2HB      GLU  66   8.825   8.013  -9.297
  525    HB3  GLU  66           3HB      GLU  66   9.330   6.785  -8.129
  526    HG2  GLU  66           2HG      GLU  66   8.260   5.014  -9.422
  527    HG3  GLU  66           3HG      GLU  66   7.591   6.190 -10.559
  528    H    GLU  67           H        GLU  67   5.219   6.120  -9.076
  529    HA   GLU  67           HA       GLU  67   4.004   8.448 -10.398
  530    HB2  GLU  67           2HB      GLU  67   3.996   6.209 -11.454
  531    HB3  GLU  67           3HB      GLU  67   2.982   5.605 -10.138
  532    HG2  GLU  67           2HG      GLU  67   1.188   7.150 -10.746
  533    HG3  GLU  67           3HG      GLU  67   2.221   7.934 -11.946
  534    H    LEU  68           H        LEU  68   3.451   6.323  -7.559
  535    HA   LEU  68           HA       LEU  68   1.161   7.800  -6.563
  536    HB2  LEU  68           2HB      LEU  68   3.051   5.908  -5.124
  537    HB3  LEU  68           3HB      LEU  68   1.482   6.443  -4.535
  538    HG   LEU  68           HG       LEU  68   1.994   4.663  -6.955
  539   HD11  LEU  68          1HD1      LEU  68   0.729   4.109  -4.249
  540   HD12  LEU  68          2HD1      LEU  68   0.818   2.964  -5.596
  541   HD13  LEU  68          3HD1      LEU  68   2.310   3.527  -4.817
  542   HD21  LEU  68          3HD2      LEU  68  -0.358   4.390  -7.181
  543   HD22  LEU  68          1HD2      LEU  68  -0.687   5.484  -5.822
  544   HD23  LEU  68          2HD2      LEU  68   0.005   6.101  -7.345
  545    H    GLY  69           H        GLY  69   4.549   8.516  -6.390
  546    HA2  GLY  69           2HA      GLY  69   5.277  10.719  -5.991
  547    HA3  GLY  69           3HA      GLY  69   3.819  11.068  -5.066
  548    H    PHE  70           H        PHE  70   5.653   8.184  -4.266
  549    HA   PHE  70           HA       PHE  70   6.167   8.979  -1.547
  550    HB2  PHE  70           2HB      PHE  70   7.089   6.722  -3.338
  551    HB3  PHE  70           3HB      PHE  70   7.784   6.936  -1.751
  552    HD1  PHE  70           HD1      PHE  70   4.584   6.144  -3.506
  553    HD2  PHE  70           HD2      PHE  70   6.633   6.426   0.250
  554    HE1  PHE  70           HE1      PHE  70   2.821   4.752  -2.445
  555    HE2  PHE  70           HE2      PHE  70   4.906   5.012   1.323
  556    HZ   PHE  70           HZ       PHE  70   2.989   4.165  -0.037
  557    H    ARG  71           H        ARG  71   7.886   9.842  -0.567
  558    HA   ARG  71           HA       ARG  71  10.540  10.024  -1.869
  559    HB2  ARG  71           2HB      ARG  71   9.147  12.278  -0.348
  560    HB3  ARG  71           3HB      ARG  71  10.821  12.308  -0.894
  561    HG2  ARG  71           2HG      ARG  71  10.111  12.188  -3.247
  562    HG3  ARG  71           3HG      ARG  71   8.407  12.106  -2.750
  563    HD2  ARG  71           2HD      ARG  71   8.598  14.287  -1.645
  564    HD3  ARG  71           3HD      ARG  71  10.291  14.399  -2.123
  565    HE   ARG  71           HE       ARG  71   9.688  14.870  -4.326
  566   HH11  ARG  71          1HH2      ARG  71   6.723  14.137  -2.570
  567   HH12  ARG  71          2HH2      ARG  71   5.729  14.565  -3.934
  568   HH21  ARG  71          1HH1      ARG  71   8.341  15.452  -5.977
  569   HH22  ARG  71          2HH1      ARG  71   6.618  15.333  -5.783
  570    HA   PRO  72           HA       PRO  72  12.069   8.197   1.719
  571    HB2  PRO  72           2HB      PRO  72  14.064  10.428   2.104
  572    HB3  PRO  72           3HB      PRO  72  14.333   8.657   2.114
  573    HG2  PRO  72           2HG      PRO  72  14.929  10.081  -0.104
  574    HG3  PRO  72           3HG      PRO  72  14.040   8.530  -0.270
  575    HD2  PRO  72           2HD      PRO  72  12.922  11.349  -0.287
  576    HD3  PRO  72           3HD      PRO  72  12.570   9.987  -1.388
  577    H    GLU  73           H        GLU  73  11.450  11.667   2.335
  578    HA   GLU  73           HA       GLU  73  11.346  11.437   5.209
  579    HB2  GLU  73           2HB      GLU  73  10.324  13.640   5.152
  580    HB3  GLU  73           3HB      GLU  73  11.732  13.563   4.097
  581    HG2  GLU  73           2HG      GLU  73  10.289  13.382   2.108
  582    HG3  GLU  73           3HG      GLU  73   8.855  13.317   3.131
  583    H    TYR  74           H        TYR  74   9.252  10.096   2.955
  584    HA   TYR  74           HA       TYR  74   7.387   9.321   5.018
  585    HB2  TYR  74           2HB      TYR  74   5.339  10.061   3.700
  586    HB3  TYR  74           3HB      TYR  74   6.194  11.219   4.668
  587    HD1  TYR  74           HD2      TYR  74   6.553  10.069   1.056
  588    HD2  TYR  74           HD1      TYR  74   6.092  13.328   3.834
  589    HE1  TYR  74           HE2      TYR  74   6.530  11.694  -0.838
  590    HE2  TYR  74           HE1      TYR  74   6.086  14.943   1.946
  591    HH   TYR  74           HH       TYR  74   6.159  15.210  -0.312
  592    H    SER  75           H        SER  75   9.091   7.658   3.871
  593    HA   SER  75           HA       SER  75   7.928   6.066   1.767
  594    HB2  SER  75           2HB      SER  75   9.916   5.279   3.876
  595    HB3  SER  75           3HB      SER  75   9.570   4.437   2.353
  596    HG   SER  75           HG       SER  75  11.392   5.771   2.139
  597    H    ALA  76           H        ALA  76   7.924   3.427   2.845
  598    HA   ALA  76           HA       ALA  76   5.216   3.157   3.256
  599    HB1  ALA  76           1HB      ALA  76   6.773   1.409   2.461
  600    HB2  ALA  76           2HB      ALA  76   7.417   1.231   4.111
  601    HB3  ALA  76           3HB      ALA  76   5.721   0.824   3.764
  602    H    SER  77           H        SER  77   7.455   3.867   5.901
  603    HA   SER  77           HA       SER  77   5.817   2.938   8.056
  604    HB2  SER  77           2HB      SER  77   7.751   5.285   8.039
  605    HB3  SER  77           3HB      SER  77   7.194   4.369   9.452
  606    HG   SER  77           HG       SER  77   9.265   3.681   8.744
  607    H    GLN  78           H        GLN  78   5.483   5.694   5.921
  608    HA   GLN  78           HA       GLN  78   3.614   7.068   7.680
  609    HB2  GLN  78           2HB      GLN  78   5.228   7.846   5.261
  610    HB3  GLN  78           3HB      GLN  78   3.779   8.752   5.627
  611    HG2  GLN  78           2HG      GLN  78   5.737   9.841   6.590
  612    HG3  GLN  78           3HG      GLN  78   4.565   9.392   7.803
  613   HE21  GLN  78          2HE2      GLN  78   5.202   7.983   9.477
  614   HE22  GLN  78          1HE2      GLN  78   6.861   7.388   9.609
  615    H    LEU  79           H        LEU  79   2.997   4.457   6.247
  616    HA   LEU  79           HA       LEU  79   0.500   5.247   4.827
  617    HB2  LEU  79           2HB      LEU  79   1.762   2.572   5.532
  618    HB3  LEU  79           3HB      LEU  79   0.193   2.734   4.764
  619    HG   LEU  79           HG       LEU  79   2.626   3.928   3.416
  620   HD11  LEU  79          1HD1      LEU  79   3.265   1.564   3.919
  621   HD12  LEU  79          2HD1      LEU  79   1.775   1.011   3.166
  622   HD13  LEU  79          3HD1      LEU  79   3.004   1.839   2.192
  623   HD21  LEU  79          3HD2      LEU  79   0.227   4.230   2.636
  624   HD22  LEU  79          1HD2      LEU  79   1.344   3.576   1.428
  625   HD23  LEU  79          2HD2      LEU  79   0.197   2.507   2.259
  626    H    LYS  80           H        LYS  80  -1.451   5.315   5.813
  627    HA   LYS  80           HA       LYS  80  -1.845   5.169   8.607
  628    HB2  LYS  80           2HB      LYS  80  -3.965   4.545   6.503
  629    HB3  LYS  80           3HB      LYS  80  -4.244   4.982   8.189
  630    HG2  LYS  80           2HG      LYS  80  -3.041   7.159   7.719
  631    HG3  LYS  80           3HG      LYS  80  -3.098   6.733   5.996
  632    HD2  LYS  80           2HD      LYS  80  -5.489   7.103   7.865
  633    HD3  LYS  80           3HD      LYS  80  -4.899   8.299   6.704
  634    HE2  LYS  80           2HE      LYS  80  -5.390   6.754   4.833
  635    HE3  LYS  80           3HE      LYS  80  -5.975   5.537   5.981
  636    HZ1  LYS  80           3HZ      LYS  80  -7.721   7.102   6.649
  637    HZ2  LYS  80           1HZ      LYS  80  -7.182   8.227   5.594
  638    HZ3  LYS  80           2HZ      LYS  80  -7.810   6.826   5.044
  639    H    GLY  81           H        GLY  81  -2.105   3.565  10.045
  640    HA2  GLY  81           2HA      GLY  81  -2.541   1.473  10.943
  641    HA3  GLY  81           3HA      GLY  81  -3.262   1.000   9.407
  642    H    PHE  82           H        PHE  82   0.011   1.989   8.890
  643    HA   PHE  82           HA       PHE  82   0.909  -0.526   8.038
  644    HB2  PHE  82           2HB      PHE  82   2.097   1.307   7.262
  645    HB3  PHE  82           3HB      PHE  82   2.217   2.064   8.842
  646    HD1  PHE  82           HD1      PHE  82   3.784  -0.443   6.575
  647    HD2  PHE  82           HD2      PHE  82   3.946   1.533  10.410
  648    HE1  PHE  82           HE1      PHE  82   6.098  -1.265   6.910
  649    HE2  PHE  82           HE2      PHE  82   6.257   0.687  10.745
  650    HZ   PHE  82           HZ       PHE  82   7.325  -0.724   8.999
  651    H    SER  83           H        SER  83   1.337   0.981  11.287
  652    HA   SER  83           HA       SER  83   2.938  -1.147  12.297
  653    HB2  SER  83           2HB      SER  83   2.726   1.205  13.224
  654    HB3  SER  83           3HB      SER  83   1.238   0.646  14.026
  655    HG   SER  83           HG       SER  83   3.141   0.412  15.340
  656    H    LEU  84           H        LEU  84  -0.449  -1.125  11.708
  657    HA   LEU  84           HA       LEU  84  -1.118  -3.192  13.704
  658    HB2  LEU  84           2HB      LEU  84  -2.830  -2.056  11.468
  659    HB3  LEU  84           3HB      LEU  84  -3.371  -3.001  12.847
  660    HG   LEU  84           HG       LEU  84  -2.235  -0.177  12.953
  661   HD11  LEU  84          1HD1      LEU  84  -4.498  -0.324  11.998
  662   HD12  LEU  84          2HD1      LEU  84  -5.050  -1.219  13.431
  663   HD13  LEU  84          3HD1      LEU  84  -4.508   0.467  13.582
  664   HD21  LEU  84          3HD2      LEU  84  -3.347  -1.921  15.194
  665   HD22  LEU  84          1HD2      LEU  84  -1.666  -1.364  15.031
  666   HD23  LEU  84          2HD2      LEU  84  -2.953  -0.192  15.330
  667    H    LEU  85           H        LEU  85   0.386  -3.245  10.683
  668    HA   LEU  85           HA       LEU  85  -0.711  -5.752   9.644
  669    HB2  LEU  85           2HB      LEU  85   1.922  -4.335   9.121
  670    HB3  LEU  85           3HB      LEU  85   1.286  -5.666   8.168
  671    HG   LEU  85           HG       LEU  85  -0.049  -2.939   8.401
  672   HD11  LEU  85          1HD1      LEU  85   1.750  -4.159   6.267
  673   HD12  LEU  85          2HD1      LEU  85   0.852  -2.634   6.091
  674   HD13  LEU  85          3HD1      LEU  85   2.130  -2.774   7.305
  675   HD21  LEU  85          3HD2      LEU  85  -0.597  -5.277   6.566
  676   HD22  LEU  85          1HD2      LEU  85  -1.664  -4.649   7.851
  677   HD23  LEU  85          2HD2      LEU  85  -1.321  -3.656   6.431
  678    H    ALA  86           H        ALA  86   0.948  -7.619   9.258
  679    HA   ALA  86           HA       ALA  86   1.892  -8.615  11.836
  680    HB1  ALA  86           1HB      ALA  86   2.326  -9.679   9.015
  681    HB2  ALA  86           2HB      ALA  86   2.630 -10.553  10.530
  682    HB3  ALA  86           3HB      ALA  86   0.970 -10.106  10.084
  683    H    THR  87           H        THR  87   4.056  -8.844  12.536
  684    HA   THR  87           HA       THR  87   5.861  -6.811  12.057
  685    HB   THR  87           HB       THR  87   6.647  -9.612  12.908
  686    HG1  THR  87           1HG      THR  87   6.047  -8.934  14.975
  687   HG21  THR  87          1HG2      THR  87   8.239  -8.398  14.393
  688   HG22  THR  87          2HG2      THR  87   8.563  -8.060  12.688
  689   HG23  THR  87          3HG2      THR  87   7.716  -6.853  13.682
  690    H    GLU  88           H        GLU  88   5.837  -9.995  10.419
  691    HA   GLU  88           HA       GLU  88   8.251  -9.593   8.933
  692    HB2  GLU  88           2HB      GLU  88   7.531 -11.466   7.585
  693    HB3  GLU  88           3HB      GLU  88   7.280 -11.789   9.298
  694    HG2  GLU  88           2HG      GLU  88   4.839 -11.228   9.004
  695    HG3  GLU  88           3HG      GLU  88   5.127 -11.031   7.274
  696    H    ASP  89           H        ASP  89   4.961  -8.434   8.312
  697    HA   ASP  89           HA       ASP  89   5.620  -7.523   5.575
  698    HB2  ASP  89           2HB      ASP  89   3.218  -6.938   7.339
  699    HB3  ASP  89           3HB      ASP  89   3.426  -6.386   5.683
  700    H    LYS  90           H        LYS  90   5.234  -6.109   8.845
  701    HA   LYS  90           HA       LYS  90   5.746  -3.385   8.181
  702    HB2  LYS  90           2HB      LYS  90   6.368  -4.986  10.701
  703    HB3  LYS  90           3HB      LYS  90   6.558  -3.230  10.580
  704    HG2  LYS  90           2HG      LYS  90   4.225  -2.897  10.152
  705    HG3  LYS  90           3HG      LYS  90   3.939  -4.620   9.924
  706    HD2  LYS  90           2HD      LYS  90   3.031  -3.903  12.020
  707    HD3  LYS  90           3HD      LYS  90   4.321  -5.076  12.287
  708    HE2  LYS  90           2HE      LYS  90   5.869  -3.318  12.949
  709    HE3  LYS  90           3HE      LYS  90   4.719  -2.066  12.451
  710    HZ1  LYS  90           3HZ      LYS  90   4.585  -2.329  14.823
  711    HZ2  LYS  90           1HZ      LYS  90   3.197  -2.901  14.199
  712    HZ3  LYS  90           2HZ      LYS  90   4.346  -3.949  14.721
  713    H    GLU  91           H        GLU  91   8.052  -6.011   8.890
  714    HA   GLU  91           HA       GLU  91  10.411  -4.398   8.373
  715    HB2  GLU  91           2HB      GLU  91   9.928  -7.401   8.387
  716    HB3  GLU  91           3HB      GLU  91  11.510  -6.669   8.128
  717    HG2  GLU  91           2HG      GLU  91   9.801  -6.272  10.624
  718    HG3  GLU  91           3HG      GLU  91  11.134  -7.407  10.475
  719    H    ALA  92           H        ALA  92   8.606  -6.738   6.251
  720    HA   ALA  92           HA       ALA  92  10.370  -6.435   4.066
  721    HB1  ALA  92           1HB      ALA  92   7.439  -7.217   4.100
  722    HB2  ALA  92           2HB      ALA  92   8.586  -7.511   2.770
  723    HB3  ALA  92           3HB      ALA  92   8.834  -8.302   4.339
  724    H    LEU  93           H        LEU  93   7.398  -4.506   4.769
  725    HA   LEU  93           HA       LEU  93   7.408  -3.050   2.302
  726    HB2  LEU  93           2HB      LEU  93   6.137  -2.781   5.028
  727    HB3  LEU  93           3HB      LEU  93   6.136  -1.395   3.958
  728    HG   LEU  93           HG       LEU  93   4.990  -2.575   2.223
  729   HD11  LEU  93          1HD1      LEU  93   4.791  -5.016   4.006
  730   HD12  LEU  93          2HD1      LEU  93   3.993  -4.775   2.447
  731   HD13  LEU  93          3HD1      LEU  93   5.751  -4.902   2.512
  732   HD21  LEU  93          3HD2      LEU  93   3.676  -2.927   4.946
  733   HD22  LEU  93          1HD2      LEU  93   3.648  -1.461   3.938
  734   HD23  LEU  93          2HD2      LEU  93   2.816  -2.933   3.395
  735    H    LYS  94           H        LYS  94   8.983  -2.370   5.471
  736    HA   LYS  94           HA       LYS  94  10.254   0.094   4.589
  737    HB2  LYS  94           2HB      LYS  94  10.980  -1.913   6.755
  738    HB3  LYS  94           3HB      LYS  94  11.856  -0.405   6.481
  739    HG2  LYS  94           2HG      LYS  94   9.816   0.909   6.924
  740    HG3  LYS  94           3HG      LYS  94   8.907  -0.571   7.229
  741    HD2  LYS  94           2HD      LYS  94  11.328   0.404   8.817
  742    HD3  LYS  94           3HD      LYS  94   9.639   0.527   9.334
  743    HE2  LYS  94           2HE      LYS  94   9.429  -1.925   9.364
  744    HE3  LYS  94           3HE      LYS  94  11.069  -2.105   8.745
  745    HZ1  LYS  94           3HZ      LYS  94  10.347  -1.026  11.403
  746    HZ2  LYS  94           1HZ      LYS  94  11.081  -2.462  11.061
  747    HZ3  LYS  94           2HZ      LYS  94  11.875  -1.056  10.803
  748    H    LYS  95           H        LYS  95  11.350  -3.324   4.635
  749    HA   LYS  95           HA       LYS  95  13.950  -2.799   3.657
  750    HB2  LYS  95           2HB      LYS  95  12.213  -5.278   3.574
  751    HB3  LYS  95           3HB      LYS  95  13.848  -5.280   2.907
  752    HG2  LYS  95           2HG      LYS  95  14.844  -4.700   5.011
  753    HG3  LYS  95           3HG      LYS  95  13.277  -4.410   5.770
  754    HD2  LYS  95           2HD      LYS  95  12.675  -6.806   5.434
  755    HD3  LYS  95           3HD      LYS  95  14.277  -7.113   4.753
  756    HE2  LYS  95           2HE      LYS  95  13.737  -6.041   7.566
  757    HE3  LYS  95           3HE      LYS  95  13.991  -7.744   7.183
  758    HZ1  LYS  95           3HZ      LYS  95  16.043  -6.720   7.928
  759    HZ2  LYS  95           1HZ      LYS  95  16.217  -7.172   6.371
  760    HZ3  LYS  95           2HZ      LYS  95  15.995  -5.595   6.751
  761    H    GLN  96           H        GLN  96  11.002  -2.956   1.838
  762    HA   GLN  96           HA       GLN  96  12.415  -2.880  -0.782
  763    HB2  GLN  96           2HB      GLN  96   9.482  -3.026   0.001
  764    HB3  GLN  96           3HB      GLN  96  10.063  -2.913  -1.664
  765    HG2  GLN  96           2HG      GLN  96  11.188  -5.034  -1.546
  766    HG3  GLN  96           3HG      GLN  96  10.922  -5.166   0.193
  767   HE21  GLN  96          2HE2      GLN  96   8.647  -5.287   0.955
  768   HE22  GLN  96          1HE2      GLN  96   7.465  -6.088  -0.095
  769    H    LEU  97           H        LEU  97  10.521  -0.777   1.391
  770    HA   LEU  97           HA       LEU  97  11.369   1.604  -0.155
  771    HB2  LEU  97           2HB      LEU  97   9.210   0.860  -1.003
  772    HB3  LEU  97           3HB      LEU  97   8.511   0.879   0.609
  773    HG   LEU  97           HG       LEU  97   8.504   3.267   0.694
  774   HD11  LEU  97          1HD1      LEU  97  10.277   3.199  -1.778
  775   HD12  LEU  97          2HD1      LEU  97   9.456   4.663  -1.174
  776   HD13  LEU  97          3HD1      LEU  97  10.680   3.867  -0.182
  777   HD21  LEU  97          3HD2      LEU  97   7.826   2.406  -2.148
  778   HD22  LEU  97          1HD2      LEU  97   6.783   2.213  -0.725
  779   HD23  LEU  97          2HD2      LEU  97   7.196   3.834  -1.302
  780    HA   PRO  98           HA       PRO  98  11.796   2.235   4.385
  781    HB2  PRO  98           2HB      PRO  98  14.516   2.639   4.536
  782    HB3  PRO  98           3HB      PRO  98  13.727   1.043   4.564
  783    HG2  PRO  98           2HG      PRO  98  15.282   2.304   2.364
  784    HG3  PRO  98           3HG      PRO  98  14.898   0.576   2.653
  785    HD2  PRO  98           2HD      PRO  98  13.596   2.430   0.846
  786    HD3  PRO  98           3HD      PRO  98  13.255   0.701   1.120
  787    H    GLY  99           H        GLY  99  12.082   4.224   5.602
  788    HA2  GLY  99           2HA      GLY  99  12.612   6.695   4.004
  789    HA3  GLY  99           3HA      GLY  99  11.284   6.531   5.142
  790    H    VAL 100           H        VAL 100  12.354   8.526   5.738
  791    HA   VAL 100           HA       VAL 100  14.712   8.228   7.550
  792    HB   VAL 100           HB       VAL 100  13.813  10.827   6.311
  793   HG11  VAL 100          1HG1      VAL 100  15.342  10.994   8.237
  794   HG12  VAL 100          2HG1      VAL 100  16.479   9.879   7.441
  795   HG13  VAL 100          3HG1      VAL 100  16.148  11.478   6.745
  796   HG21  VAL 100          3HG2      VAL 100  15.823   8.848   5.162
  797   HG22  VAL 100          1HG2      VAL 100  14.288   9.363   4.421
  798   HG23  VAL 100          2HG2      VAL 100  15.598  10.527   4.614
  799    H    LYS 101           H        LYS 101  14.258   8.190   9.583
  800    HA   LYS 101           HA       LYS 101  12.899  10.505  10.735
  801    HB2  LYS 101           2HB      LYS 101  11.370   8.186  10.475
  802    HB3  LYS 101           3HB      LYS 101  11.966   8.047  12.125
  803    HG2  LYS 101           2HG      LYS 101  11.235  10.516  12.411
  804    HG3  LYS 101           3HG      LYS 101  10.443  10.341  10.830
  805    HD2  LYS 101           2HD      LYS 101   9.188   8.342  11.815
  806    HD3  LYS 101           3HD      LYS 101   9.863   8.771  13.388
  807    HE2  LYS 101           2HE      LYS 101   7.960  10.417  11.665
  808    HE3  LYS 101           3HE      LYS 101   7.595   9.608  13.191
  809    HZ1  LYS 101           3HZ      LYS 101   9.305  11.995  12.795
  810    HZ2  LYS 101           1HZ      LYS 101   7.943  11.886  13.681
  811    HZ3  LYS 101           2HZ      LYS 101   9.312  11.164  14.214
  812    H    SER 102           H        SER 102  15.622   9.730  10.578
  813    HA   SER 102           HA       SER 102  16.608   8.226  12.743
  814    HB2  SER 102           2HB      SER 102  18.805   9.272  12.146
  815    HB3  SER 102           3HB      SER 102  17.917   8.583  10.776
  816    HG   SER 102           HG       SER 102  18.767  10.689  10.329
  817    H    GLU 103           H        GLU 103  15.812  11.652  12.730
  818    HA   GLU 103           HA       GLU 103  17.113  12.218  15.303
  819    HB2  GLU 103           2HB      GLU 103  15.130  13.819  13.645
  820    HB3  GLU 103           3HB      GLU 103  16.017  14.428  15.041
  821    HG2  GLU 103           2HG      GLU 103  18.151  14.138  13.902
  822    HG3  GLU 103           3HG      GLU 103  17.354  13.420  12.497
  823    H    GLY 104           H        GLY 104  14.263  10.567  14.568
  824    HA2  GLY 104           2HA      GLY 104  12.418   9.924  15.785
  825    HA3  GLY 104           3HA      GLY 104  13.034  10.805  17.188
  826    H    LYS 105           H        LYS 105  13.166  13.375  16.330
  827    HA   LYS 105           HA       LYS 105  10.346  14.219  16.149
  828    HB2  LYS 105           2HB      LYS 105  12.926  15.787  16.562
  829    HB3  LYS 105           3HB      LYS 105  11.298  16.475  16.614
  830    HG2  LYS 105           2HG      LYS 105  10.708  14.955  18.495
  831    HG3  LYS 105           3HG      LYS 105  12.366  14.323  18.493
  832    HD2  LYS 105           2HD      LYS 105  13.241  16.594  18.969
  833    HD3  LYS 105           3HD      LYS 105  11.580  17.230  18.980
  834    HE2  LYS 105           2HE      LYS 105  11.010  15.692  20.849
  835    HE3  LYS 105           3HE      LYS 105  12.662  15.062  20.839
  836    HZ1  LYS 105           3HZ      LYS 105  12.379  16.777  22.534
  837    HZ2  LYS 105           1HZ      LYS 105  13.446  17.299  21.417
  838    HZ3  LYS 105           2HZ      LYS 105  11.919  17.881  21.426
  839    H    ARG 106           H        ARG 106  12.583  13.525  13.807
  840    HA   ARG 106           HA       ARG 106  12.296  15.561  11.860
  841    HB2  ARG 106           2HB      ARG 106  13.937  13.796  11.665
  842    HB3  ARG 106           3HB      ARG 106  12.695  12.559  11.622
  843    HG2  ARG 106           2HG      ARG 106  13.776  12.984   9.435
  844    HG3  ARG 106           3HG      ARG 106  12.030  13.154   9.401
  845    HD2  ARG 106           2HD      ARG 106  13.233  14.842   8.044
  846    HD3  ARG 106           3HD      ARG 106  12.170  15.553   9.255
  847    HE   ARG 106           HE       ARG 106  14.770  15.398  10.418
  848   HH11  ARG 106          1HH2      ARG 106  13.284  17.188   7.772
  849   HH12  ARG 106          2HH2      ARG 106  14.381  18.523   7.988
  850   HH21  ARG 106          1HH1      ARG 106  16.027  17.024  10.633
  851   HH22  ARG 106          2HH1      ARG 106  15.946  18.450   9.591
  852    H    LYS 107           H        LYS 107  10.646  16.270  10.762
  853    HA   LYS 107           HA       LYS 107   8.568  16.740  10.121
  854    HB2  LYS 107           2HB      LYS 107   9.261  14.668   8.632
  855    HB3  LYS 107           3HB      LYS 107   7.910  13.882   9.459
  856    HG2  LYS 107           2HG      LYS 107   6.432  15.793   8.722
  857    HG3  LYS 107           3HG      LYS 107   7.834  16.513   7.913
  858    HD2  LYS 107           2HD      LYS 107   7.990  14.514   6.424
  859    HD3  LYS 107           3HD      LYS 107   6.596  13.811   7.258
  860    HE2  LYS 107           2HE      LYS 107   5.722  14.787   5.280
  861    HE3  LYS 107           3HE      LYS 107   5.250  15.856   6.600
  862    HZ1  LYS 107           3HZ      LYS 107   7.044  17.371   5.954
  863    HZ2  LYS 107           1HZ      LYS 107   7.589  16.320   4.806
  864    HZ3  LYS 107           2HZ      LYS 107   6.138  17.055   4.641
  865    H    GLY 108           H        GLY 108   8.923  15.939  12.985
  866    HA2  GLY 108           2HA      GLY 108   6.213  15.150  13.845
  867    HA3  GLY 108           3HA      GLY 108   7.584  15.603  14.857
  868    H    ASP 109           H        ASP 109   8.123  18.131  13.515
  869    HA   ASP 109           HA       ASP 109   6.168  19.791  14.928
  870    HB2  ASP 109           2HB      ASP 109   8.673  19.943  15.155
  871    HB3  ASP 109           3HB      ASP 109   8.738  20.561  13.506
  872    H    GLU 110           H        GLU 110   5.999  18.616  11.919
  873    HA   GLU 110           HA       GLU 110   4.381  20.870  10.906
  874    HB2  GLU 110           2HB      GLU 110   5.305  20.640   8.644
  875    HB3  GLU 110           3HB      GLU 110   6.524  21.182   9.794
  876    HG2  GLU 110           2HG      GLU 110   7.516  18.939   9.881
  877    HG3  GLU 110           3HG      GLU 110   6.214  18.289   8.885
  878    H    VAL 111           H        VAL 111   2.961  20.171   9.067
  879    HA   VAL 111           HA       VAL 111   1.146  18.952   8.468
  880    HB   VAL 111           HB       VAL 111   2.960  16.517   8.484
  881   HG11  VAL 111          1HG1      VAL 111   0.511  17.253   6.809
  882   HG12  VAL 111          2HG1      VAL 111   1.495  15.784   6.633
  883   HG13  VAL 111          3HG1      VAL 111   0.546  16.032   8.098
  884   HG21  VAL 111          3HG2      VAL 111   3.383  17.103   6.089
  885   HG22  VAL 111          1HG2      VAL 111   2.590  18.669   6.355
  886   HG23  VAL 111          2HG2      VAL 111   4.096  18.266   7.210
  887    H    ASP 112           H        ASP 112   0.366  19.579  10.587
  888    HA   ASP 112           HA       ASP 112  -0.590  17.279  12.195
  889    HB2  ASP 112           2HB      ASP 112   1.458  18.050  13.314
  890    HB3  ASP 112           3HB      ASP 112   0.851  19.701  13.341
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1   9.363  12.877  24.689
    2    H2   GLY   1           H2       GLY   1  10.282  14.208  24.443
    3    H3   GLY   1           H3       GLY   1  10.996  12.770  24.770
    4    HA2  GLY   1           2HA      GLY   1  11.224  13.267  22.433
    5    HA3  GLY   1           3HA      GLY   1  10.213  11.835  22.697
    6    H    SER   2           H        SER   2   9.366  12.283  20.547
    7    HA   SER   2           HA       SER   2   6.950  13.970  20.635
    8    HB2  SER   2           2HB      SER   2   8.768  15.435  19.714
    9    HB3  SER   2           3HB      SER   2   8.977  14.276  18.386
   10    HG   SER   2           HG       SER   2   7.541  16.042  17.890
   11    H    LYS   3           H        LYS   3   5.467  13.485  18.894
   12    HA   LYS   3           HA       LYS   3   5.397  10.603  18.321
   13    HB2  LYS   3           2HB      LYS   3   3.504  11.766  19.333
   14    HB3  LYS   3           3HB      LYS   3   3.289  12.755  17.890
   15    HG2  LYS   3           2HG      LYS   3   2.530  10.942  16.593
   16    HG3  LYS   3           3HG      LYS   3   3.284   9.739  17.628
   17    HD2  LYS   3           2HD      LYS   3   0.929  11.460  18.487
   18    HD3  LYS   3           3HD      LYS   3   0.745   9.878  17.735
   19    HE2  LYS   3           2HE      LYS   3   2.284  10.364  20.329
   20    HE3  LYS   3           3HE      LYS   3   0.587   9.891  20.254
   21    HZ1  LYS   3           3HZ      LYS   3   2.842   8.253  19.174
   22    HZ2  LYS   3           1HZ      LYS   3   2.018   7.963  20.551
   23    HZ3  LYS   3           2HZ      LYS   3   1.257   7.850  19.115
   24    H    ALA   4           H        ALA   4   7.355  10.986  16.941
   25    HA   ALA   4           HA       ALA   4   6.809  11.755  14.163
   26    HB1  ALA   4           1HB      ALA   4   9.283  10.538  15.470
   27    HB2  ALA   4           2HB      ALA   4   9.191  11.182  13.816
   28    HB3  ALA   4           3HB      ALA   4   8.988  12.271  15.202
   29    H    GLU   5           H        GLU   5   4.958  10.186  14.511
   30    HA   GLU   5           HA       GLU   5   5.589   7.401  13.566
   31    HB2  GLU   5           2HB      GLU   5   3.752   8.431  15.753
   32    HB3  GLU   5           3HB      GLU   5   3.797   6.741  15.215
   33    HG2  GLU   5           2HG      GLU   5   6.214   6.646  15.899
   34    HG3  GLU   5           3HG      GLU   5   6.044   8.264  16.594
   35    H    LYS   6           H        LYS   6   4.110  10.130  12.561
   36    HA   LYS   6           HA       LYS   6   1.376   9.144  12.125
   37    HB2  LYS   6           2HB      LYS   6   2.677  11.849  11.627
   38    HB3  LYS   6           3HB      LYS   6   0.965  11.493  11.379
   39    HG2  LYS   6           2HG      LYS   6   0.750  10.840  13.777
   40    HG3  LYS   6           3HG      LYS   6   2.428  11.307  14.055
   41    HD2  LYS   6           2HD      LYS   6   0.238  13.165  13.034
   42    HD3  LYS   6           3HD      LYS   6   0.718  13.045  14.721
   43    HE2  LYS   6           2HE      LYS   6   2.661  13.813  12.495
   44    HE3  LYS   6           3HE      LYS   6   1.676  14.991  13.358
   45    HZ1  LYS   6           3HZ      LYS   6   3.632  13.185  14.698
   46    HZ2  LYS   6           1HZ      LYS   6   3.879  14.765  14.355
   47    HZ3  LYS   6           2HZ      LYS   6   2.727  14.338  15.423
   48    H    THR   7           H        THR   7   0.231   9.383  10.189
   49    HA   THR   7           HA       THR   7   1.605   8.481   7.740
   50    HB   THR   7           HB       THR   7  -1.284   9.251   8.195
   51    HG1  THR   7           1HG      THR   7  -0.642   7.522   9.520
   52   HG21  THR   7          1HG2      THR   7  -0.242   8.783   5.696
   53   HG22  THR   7          2HG2      THR   7  -0.645   7.160   6.176
   54   HG23  THR   7          3HG2      THR   7  -1.882   8.438   6.177
   55    H    LEU   8           H        LEU   8   1.739   9.698   5.800
   56    HA   LEU   8           HA       LEU   8   1.816  12.590   6.077
   57    HB2  LEU   8           2HB      LEU   8   2.773  12.708   4.041
   58    HB3  LEU   8           3HB      LEU   8   3.236  11.086   4.515
   59    HG   LEU   8           HG       LEU   8   0.998  11.863   2.580
   60   HD11  LEU   8          1HD1      LEU   8   3.647  10.478   2.077
   61   HD12  LEU   8          2HD1      LEU   8   2.404  10.859   0.871
   62   HD13  LEU   8          3HD1      LEU   8   3.270  12.170   1.686
   63   HD21  LEU   8          3HD2      LEU   8   1.964   9.133   3.489
   64   HD22  LEU   8          1HD2      LEU   8   0.340   9.786   3.688
   65   HD23  LEU   8          2HD2      LEU   8   0.925   9.405   2.071
   66    H    GLY   9           H        GLY   9  -0.885  10.615   5.599
   67    HA2  GLY   9           2HA      GLY   9  -3.109  11.250   5.444
   68    HA3  GLY   9           3HA      GLY   9  -2.633  12.892   5.021
   69    H    ASP  10           H        ASP  10  -1.553   9.983   3.218
   70    HA   ASP  10           HA       ASP  10  -3.338  10.671   0.966
   71    HB2  ASP  10           2HB      ASP  10  -0.790  11.774   1.137
   72    HB3  ASP  10           3HB      ASP  10  -0.526  10.336   0.148
   73    H    PHE  11           H        PHE  11  -1.472   8.178   2.585
   74    HA   PHE  11           HA       PHE  11  -2.723   6.206   0.830
   75    HB2  PHE  11           2HB      PHE  11  -0.468   5.005   0.534
   76    HB3  PHE  11           3HB      PHE  11  -0.924   6.301  -0.506
   77    HD1  PHE  11           HD2      PHE  11   0.998   6.142   2.791
   78    HD2  PHE  11           HD1      PHE  11   0.795   7.557  -1.278
   79    HE1  PHE  11           HE2      PHE  11   3.303   7.007   2.971
   80    HE2  PHE  11           HE1      PHE  11   3.060   8.527  -1.047
   81    HZ   PHE  11           HZ       PHE  11   4.328   8.230   1.068
   82    H    ALA  12           H        ALA  12  -2.646   4.021   1.571
   83    HA   ALA  12           HA       ALA  12  -2.480   3.743   4.533
   84    HB1  ALA  12           1HB      ALA  12  -4.736   4.559   3.855
   85    HB2  ALA  12           2HB      ALA  12  -4.908   3.141   2.807
   86    HB3  ALA  12           3HB      ALA  12  -4.784   2.928   4.562
   87    H    ALA  13           H        ALA  13  -2.656   1.572   5.333
   88    HA   ALA  13           HA       ALA  13  -2.104  -0.670   3.454
   89    HB1  ALA  13           1HB      ALA  13  -0.485   0.085   5.938
   90    HB2  ALA  13           2HB      ALA  13  -0.164  -1.267   4.819
   91    HB3  ALA  13           3HB      ALA  13   0.011   0.413   4.271
   92    H    GLU  14           H        GLU  14  -3.027  -2.658   4.117
   93    HA   GLU  14           HA       GLU  14  -3.610  -3.210   6.894
   94    HB2  GLU  14           2HB      GLU  14  -6.015  -3.572   6.600
   95    HB3  GLU  14           3HB      GLU  14  -5.614  -1.870   6.455
   96    HG2  GLU  14           2HG      GLU  14  -6.011  -1.830   4.120
   97    HG3  GLU  14           3HG      GLU  14  -5.871  -3.582   3.962
   98    H    TYR  15           H        TYR  15  -4.715  -5.455   7.013
   99    HA   TYR  15           HA       TYR  15  -3.923  -7.194   4.764
  100    HB2  TYR  15           2HB      TYR  15  -5.394  -7.779   7.349
  101    HB3  TYR  15           3HB      TYR  15  -4.888  -8.975   6.160
  102    HD1  TYR  15           HD1      TYR  15  -2.232  -8.432   5.396
  103    HD2  TYR  15           HD2      TYR  15  -3.967  -7.603   9.238
  104    HE1  TYR  15           HE1      TYR  15  -0.041  -8.949   6.494
  105    HE2  TYR  15           HE2      TYR  15  -1.767  -8.041  10.324
  106    HH   TYR  15           HH       TYR  15   1.103  -9.065   8.413
  107    H    ALA  16           H        ALA  16  -5.217  -7.949   3.210
  108    HA   ALA  16           HA       ALA  16  -7.604  -6.617   2.499
  109    HB1  ALA  16           1HB      ALA  16  -6.000  -7.637   0.929
  110    HB2  ALA  16           2HB      ALA  16  -6.420  -9.239   1.560
  111    HB3  ALA  16           3HB      ALA  16  -7.638  -8.289   0.680
  112    H    LYS  17           H        LYS  17  -9.644  -6.878   3.237
  113    HA   LYS  17           HA       LYS  17 -10.387  -9.032   5.012
  114    HB2  LYS  17           2HB      LYS  17 -11.845  -6.675   3.764
  115    HB3  LYS  17           3HB      LYS  17 -12.768  -7.938   4.560
  116    HG2  LYS  17           2HG      LYS  17 -12.400  -6.126   6.091
  117    HG3  LYS  17           3HG      LYS  17 -11.608  -7.597   6.666
  118    HD2  LYS  17           2HD      LYS  17  -9.429  -6.753   5.964
  119    HD3  LYS  17           3HD      LYS  17 -10.179  -5.306   5.243
  120    HE2  LYS  17           2HE      LYS  17 -11.022  -4.655   7.493
  121    HE3  LYS  17           3HE      LYS  17 -10.269  -6.101   8.188
  122    HZ1  LYS  17           3HZ      LYS  17  -8.814  -4.205   8.467
  123    HZ2  LYS  17           1HZ      LYS  17  -8.112  -5.222   7.383
  124    HZ3  LYS  17           2HZ      LYS  17  -8.841  -3.846   6.870
  125    H    SER  18           H        SER  18 -10.911  -8.538   1.577
  126    HA   SER  18           HA       SER  18 -12.079 -11.250   1.272
  127    HB2  SER  18           2HB      SER  18 -13.429  -8.724   0.224
  128    HB3  SER  18           3HB      SER  18 -13.960 -10.388  -0.064
  129    HG   SER  18           HG       SER  18 -14.319 -10.582   2.207
  130    H    ASN  19           H        ASN  19 -11.988 -12.058  -0.878
  131    HA   ASN  19           HA       ASN  19  -9.946 -10.898  -2.630
  132    HB2  ASN  19           2HB      ASN  19 -10.127 -13.345  -2.139
  133    HB3  ASN  19           3HB      ASN  19 -11.714 -13.350  -2.934
  134   HD21  ASN  19          2HD2      ASN  19  -8.574 -11.806  -3.972
  135   HD22  ASN  19          1HD2      ASN  19  -8.464 -12.813  -5.398
  136    H    ARG  20           H        ARG  20 -11.816  -9.031  -2.416
  137    HA   ARG  20           HA       ARG  20 -13.387  -9.070  -4.951
  138    HB2  ARG  20           2HB      ARG  20 -14.412  -8.226  -2.206
  139    HB3  ARG  20           3HB      ARG  20 -15.305  -8.029  -3.711
  140    HG2  ARG  20           2HG      ARG  20 -14.471 -10.713  -2.528
  141    HG3  ARG  20           3HG      ARG  20 -16.064  -9.974  -2.400
  142    HD2  ARG  20           2HD      ARG  20 -16.368 -10.058  -4.825
  143    HD3  ARG  20           3HD      ARG  20 -14.755 -10.716  -5.056
  144    HE   ARG  20           HE       ARG  20 -17.120 -12.110  -3.940
  145   HH11  ARG  20          1HH2      ARG  20 -13.698 -12.424  -4.753
  146   HH12  ARG  20          2HH2      ARG  20 -13.795 -14.166  -4.743
  147   HH21  ARG  20          1HH1      ARG  20 -17.121 -14.316  -3.916
  148   HH22  ARG  20          2HH1      ARG  20 -15.663 -15.197  -4.257
  149    H    SER  21           H        SER  21 -10.855  -7.779  -4.124
  150    HA   SER  21           HA       SER  21 -11.460  -5.119  -5.262
  151    HB2  SER  21           2HB      SER  21  -9.839  -3.992  -3.860
  152    HB3  SER  21           3HB      SER  21 -11.121  -4.701  -2.872
  153    HG   SER  21           HG       SER  21  -9.682  -6.455  -2.420
  154    H    THR  22           H        THR  22  -9.431  -4.133  -6.230
  155    HA   THR  22           HA       THR  22  -7.731  -6.248  -7.483
  156    HB   THR  22           HB       THR  22  -9.365  -4.155  -8.899
  157    HG1  THR  22           1HG      THR  22 -10.521  -5.918  -9.704
  158   HG21  THR  22          1HG2      THR  22  -7.255  -4.679 -10.143
  159   HG22  THR  22          2HG2      THR  22  -7.740  -6.392 -10.156
  160   HG23  THR  22          3HG2      THR  22  -8.710  -5.181 -11.006
  161    H    CYS  23           HN       CYS  23  -5.736  -5.684  -7.879
  162    HA   CYS  23           HA       CYS  23  -4.633  -3.229  -6.879
  163    HB2  CYS  23           2HB      CYS  23  -3.406  -5.234  -6.649
  164    HB3  CYS  23           3HB      CYS  23  -3.690  -5.681  -8.332
  165    H    LYS  24           H        LYS  24  -4.865  -1.429  -7.891
  166    HA   LYS  24           HA       LYS  24  -5.351  -1.082 -10.739
  167    HB2  LYS  24           2HB      LYS  24  -4.731   0.914  -8.534
  168    HB3  LYS  24           3HB      LYS  24  -5.392   1.308 -10.130
  169    HG2  LYS  24           2HG      LYS  24  -6.768  -0.288  -7.916
  170    HG3  LYS  24           3HG      LYS  24  -7.164   1.333  -8.447
  171    HD2  LYS  24           2HD      LYS  24  -7.827   0.444 -10.681
  172    HD3  LYS  24           3HD      LYS  24  -7.518  -1.208 -10.083
  173    HE2  LYS  24           2HE      LYS  24  -9.170  -0.911  -8.293
  174    HE3  LYS  24           3HE      LYS  24  -9.462   0.758  -8.801
  175    HZ1  LYS  24           3HZ      LYS  24 -10.300  -0.096 -10.925
  176    HZ2  LYS  24           1HZ      LYS  24 -10.036  -1.642 -10.465
  177    HZ3  LYS  24           2HZ      LYS  24 -11.151  -0.737  -9.693
  178    H    GLY  25           H        GLY  25  -2.525  -1.610  -8.994
  179    HA2  GLY  25           2HA      GLY  25  -0.632  -0.182 -10.691
  180    HA3  GLY  25           3HA      GLY  25  -0.277  -1.502  -9.573
  181    H    CYS  26           HN       CYS  26  -1.698  -3.600 -10.551
  182    HA   CYS  26           HA       CYS  26  -0.602  -3.978 -13.300
  183    HB2  CYS  26           2HB      CYS  26   0.143  -6.141 -12.829
  184    HB3  CYS  26           3HB      CYS  26   0.767  -5.085 -11.563
  185    H    MET  27           H        MET  27  -3.520  -3.879 -11.790
  186    HA   MET  27           HA       MET  27  -5.599  -4.381 -12.347
  187    HB2  MET  27           2HB      MET  27  -4.667  -3.558 -14.660
  188    HB3  MET  27           3HB      MET  27  -4.856  -5.241 -15.132
  189    HG2  MET  27           2HG      MET  27  -6.937  -4.565 -15.691
  190    HG3  MET  27           3HG      MET  27  -7.294  -4.838 -13.994
  191    HE1  MET  27           3HE      MET  27  -6.973  -1.002 -12.689
  192    HE2  MET  27           1HE      MET  27  -7.135  -2.689 -12.150
  193    HE3  MET  27           2HE      MET  27  -5.595  -2.110 -12.833
  194    H    GLU  28           H        GLU  28  -4.560  -6.205 -10.786
  195    HA   GLU  28           HA       GLU  28  -5.961  -8.683 -11.645
  196    HB2  GLU  28           2HB      GLU  28  -3.149  -8.575 -10.502
  197    HB3  GLU  28           3HB      GLU  28  -4.153 -10.007 -10.384
  198    HG2  GLU  28           2HG      GLU  28  -3.327  -8.665 -12.977
  199    HG3  GLU  28           3HG      GLU  28  -2.582 -10.099 -12.265
  200    H    LYS  29           H        LYS  29  -6.697 -10.000  -9.955
  201    HA   LYS  29           HA       LYS  29  -7.856  -8.254  -7.953
  202    HB2  LYS  29           2HB      LYS  29  -9.215 -10.090  -7.227
  203    HB3  LYS  29           3HB      LYS  29  -9.270  -9.904  -8.978
  204    HG2  LYS  29           2HG      LYS  29  -7.806 -11.853  -9.284
  205    HG3  LYS  29           3HG      LYS  29  -7.589 -11.998  -7.526
  206    HD2  LYS  29           2HD      LYS  29 -10.048 -12.331  -7.266
  207    HD3  LYS  29           3HD      LYS  29 -10.224 -12.318  -9.029
  208    HE2  LYS  29           2HE      LYS  29  -8.911 -14.317  -9.276
  209    HE3  LYS  29           3HE      LYS  29  -8.325 -14.230  -7.611
  210    HZ1  LYS  29           3HZ      LYS  29 -11.154 -14.736  -8.356
  211    HZ2  LYS  29           1HZ      LYS  29 -10.101 -15.872  -7.836
  212    HZ3  LYS  29           2HZ      LYS  29 -10.564 -14.672  -6.824
  213    H    ILE  30           H        ILE  30  -7.466  -7.957  -5.910
  214    HA   ILE  30           HA       ILE  30  -4.964  -8.919  -4.784
  215    HB   ILE  30           HB       ILE  30  -7.160  -7.061  -3.860
  216   HG12  ILE  30          2HG1      ILE  30  -4.189  -6.548  -4.360
  217   HG13  ILE  30          3HG1      ILE  30  -5.365  -6.499  -5.660
  218   HG21  ILE  30          1HG2      ILE  30  -6.305  -8.169  -1.803
  219   HG22  ILE  30          2HG2      ILE  30  -4.643  -7.741  -2.283
  220   HG23  ILE  30          3HG2      ILE  30  -5.843  -6.482  -1.903
  221   HD11  ILE  30          3HD1      ILE  30  -5.385  -4.675  -3.231
  222   HD12  ILE  30          1HD1      ILE  30  -4.920  -4.267  -4.892
  223   HD13  ILE  30          2HD1      ILE  30  -6.603  -4.693  -4.537
  224    H    GLU  31           H        GLU  31  -4.584 -10.468  -3.282
  225    HA   GLU  31           HA       GLU  31  -6.651 -12.474  -2.870
  226    HB2  GLU  31           2HB      GLU  31  -3.837 -12.427  -1.756
  227    HB3  GLU  31           3HB      GLU  31  -4.934 -13.806  -1.858
  228    HG2  GLU  31           2HG      GLU  31  -4.862 -13.454  -4.410
  229    HG3  GLU  31           3HG      GLU  31  -3.521 -12.333  -4.096
  230    H    LYS  32           H        LYS  32  -7.562 -13.119  -0.987
  231    HA   LYS  32           HA       LYS  32  -7.924 -11.227   1.186
  232    HB2  LYS  32           2HB      LYS  32  -9.686 -12.787   0.445
  233    HB3  LYS  32           3HB      LYS  32  -8.695 -14.169   0.928
  234    HG2  LYS  32           2HG      LYS  32  -8.796 -13.458   3.288
  235    HG3  LYS  32           3HG      LYS  32  -9.697 -12.000   2.829
  236    HD2  LYS  32           2HD      LYS  32 -11.564 -13.414   2.042
  237    HD3  LYS  32           3HD      LYS  32 -10.628 -14.877   2.431
  238    HE2  LYS  32           2HE      LYS  32 -10.540 -14.199   4.811
  239    HE3  LYS  32           3HE      LYS  32 -11.442 -12.727   4.439
  240    HZ1  LYS  32           3HZ      LYS  32 -12.488 -15.490   4.094
  241    HZ2  LYS  32           1HZ      LYS  32 -12.899 -14.470   5.299
  242    HZ3  LYS  32           2HZ      LYS  32 -13.322 -14.122   3.764
  243    H    GLY  33           H        GLY  33  -7.230 -11.307   3.285
  244    HA2  GLY  33           2HA      GLY  33  -6.046 -11.894   5.162
  245    HA3  GLY  33           3HA      GLY  33  -5.782 -13.486   4.449
  246    H    GLN  34           H        GLN  34  -4.536 -10.967   2.504
  247    HA   GLN  34           HA       GLN  34  -1.856 -10.973   3.781
  248    HB2  GLN  34           2HB      GLN  34  -0.741 -11.175   1.639
  249    HB3  GLN  34           3HB      GLN  34  -1.720 -12.580   2.006
  250    HG2  GLN  34           2HG      GLN  34  -2.020 -12.216  -0.300
  251    HG3  GLN  34           3HG      GLN  34  -3.508 -11.663   0.442
  252   HE21  GLN  34          1HE2      GLN  34  -4.155  -9.497  -0.078
  253   HE22  GLN  34          2HE2      GLN  34  -2.986  -8.302  -0.666
  254    H    VAL  35           H        VAL  35  -0.478  -9.095   2.851
  255    HA   VAL  35           HA       VAL  35  -1.899  -6.741   3.630
  256    HB   VAL  35           HB       VAL  35   0.827  -6.966   2.314
  257   HG11  VAL  35          1HG1      VAL  35  -0.432  -4.662   3.878
  258   HG12  VAL  35          2HG1      VAL  35   1.269  -4.758   3.373
  259   HG13  VAL  35          3HG1      VAL  35   0.008  -4.644   2.154
  260   HG21  VAL  35          3HG2      VAL  35   0.056  -6.754   5.248
  261   HG22  VAL  35          1HG2      VAL  35   0.746  -8.187   4.448
  262   HG23  VAL  35          2HG2      VAL  35   1.706  -6.720   4.602
  263    H    ARG  36           H        ARG  36  -2.884  -5.145   2.550
  264    HA   ARG  36           HA       ARG  36  -2.298  -4.752  -0.317
  265    HB2  ARG  36           2HB      ARG  36  -4.544  -4.239  -0.917
  266    HB3  ARG  36           3HB      ARG  36  -4.430  -5.889  -0.298
  267    HG2  ARG  36           2HG      ARG  36  -5.498  -5.254   1.799
  268    HG3  ARG  36           3HG      ARG  36  -5.442  -3.546   1.357
  269    HD2  ARG  36           2HD      ARG  36  -6.878  -4.069  -0.653
  270    HD3  ARG  36           3HD      ARG  36  -7.082  -5.710  -0.024
  271    HE   ARG  36           HE       ARG  36  -7.816  -4.063   2.108
  272   HH11  ARG  36          1HH2      ARG  36  -9.081  -4.313  -1.189
  273   HH12  ARG  36          2HH2      ARG  36 -10.532  -3.472  -0.713
  274   HH21  ARG  36          1HH1      ARG  36  -9.621  -3.232   2.590
  275   HH22  ARG  36          2HH1      ARG  36 -10.896  -2.922   1.407
  276    H    LEU  37           H        LEU  37  -2.094  -2.663  -0.959
  277    HA   LEU  37           HA       LEU  37  -2.235  -0.570   1.163
  278    HB2  LEU  37           2HB      LEU  37  -0.442  -0.474  -1.281
  279    HB3  LEU  37           3HB      LEU  37  -0.478   0.588   0.142
  280    HG   LEU  37           HG       LEU  37   1.470  -0.550   0.339
  281   HD11  LEU  37          1HD1      LEU  37  -0.373  -2.138   2.140
  282   HD12  LEU  37          2HD1      LEU  37   1.334  -1.712   2.404
  283   HD13  LEU  37          3HD1      LEU  37   0.093  -0.441   2.347
  284   HD21  LEU  37          3HD2      LEU  37   0.125  -3.268   0.007
  285   HD22  LEU  37          1HD2      LEU  37   1.048  -2.421  -1.251
  286   HD23  LEU  37          2HD2      LEU  37   1.838  -2.915   0.263
  287    H    SER  38           H        SER  38  -2.892   1.578   0.464
  288    HA   SER  38           HA       SER  38  -3.910   1.796  -2.283
  289    HB2  SER  38           2HB      SER  38  -6.022   2.809  -1.665
  290    HB3  SER  38           3HB      SER  38  -5.907   1.177  -1.012
  291    HG   SER  38           HG       SER  38  -6.686   2.558   0.582
  292    H    LYS  39           H        LYS  39  -4.211   3.886  -3.056
  293    HA   LYS  39           HA       LYS  39  -2.935   6.129  -1.503
  294    HB2  LYS  39           2HB      LYS  39  -1.586   5.513  -3.448
  295    HB3  LYS  39           3HB      LYS  39  -3.018   5.498  -4.465
  296    HG2  LYS  39           2HG      LYS  39  -2.171   7.439  -5.121
  297    HG3  LYS  39           3HG      LYS  39  -3.200   8.063  -3.842
  298    HD2  LYS  39           2HD      LYS  39  -1.294   8.397  -2.387
  299    HD3  LYS  39           3HD      LYS  39  -0.217   7.537  -3.525
  300    HE2  LYS  39           2HE      LYS  39  -0.675   9.193  -5.280
  301    HE3  LYS  39           3HE      LYS  39  -1.830  10.025  -4.231
  302    HZ1  LYS  39           3HZ      LYS  39   0.346  11.106  -4.301
  303    HZ2  LYS  39           1HZ      LYS  39  -0.104  10.700  -2.799
  304    HZ3  LYS  39           2HZ      LYS  39   1.057   9.805  -3.619
  305    H    LYS  40           H        LYS  40  -4.280   7.750  -1.024
  306    HA   LYS  40           HA       LYS  40  -6.920   8.001  -2.369
  307    HB2  LYS  40           2HB      LYS  40  -7.203   8.160  -0.090
  308    HB3  LYS  40           3HB      LYS  40  -5.821   9.195   0.154
  309    HG2  LYS  40           2HG      LYS  40  -8.250  10.090  -1.530
  310    HG3  LYS  40           3HG      LYS  40  -8.291  10.143   0.221
  311    HD2  LYS  40           2HD      LYS  40  -6.561  11.813  -1.615
  312    HD3  LYS  40           3HD      LYS  40  -7.773  12.330  -0.444
  313    HE2  LYS  40           2HE      LYS  40  -6.327  11.467   1.402
  314    HE3  LYS  40           3HE      LYS  40  -5.116  11.008   0.180
  315    HZ1  LYS  40           3HZ      LYS  40  -4.553  13.154  -0.225
  316    HZ2  LYS  40           1HZ      LYS  40  -5.933  13.823   0.445
  317    HZ3  LYS  40           2HZ      LYS  40  -4.745  13.147   1.371
  318    H    MET  41           H        MET  41  -6.839   9.010  -4.260
  319    HA   MET  41           HA       MET  41  -5.680  11.676  -4.389
  320    HB2  MET  41           2HB      MET  41  -4.195  11.327  -6.290
  321    HB3  MET  41           3HB      MET  41  -3.647  10.411  -4.897
  322    HG2  MET  41           2HG      MET  41  -4.578   8.340  -5.860
  323    HG3  MET  41           3HG      MET  41  -5.210   9.247  -7.238
  324    HE1  MET  41           3HE      MET  41  -3.433   6.632  -7.410
  325    HE2  MET  41           1HE      MET  41  -4.144   7.496  -8.794
  326    HE3  MET  41           2HE      MET  41  -2.415   7.059  -8.807
  327    H    VAL  42           H        VAL  42  -6.544  12.932  -6.147
  328    HA   VAL  42           HA       VAL  42  -8.708  12.074  -7.683
  329    HB   VAL  42           HB       VAL  42  -6.522  14.027  -8.491
  330   HG11  VAL  42          1HG1      VAL  42  -7.769  13.380 -10.483
  331   HG12  VAL  42          2HG1      VAL  42  -9.319  13.628  -9.634
  332   HG13  VAL  42          3HG1      VAL  42  -8.256  15.003 -10.001
  333   HG21  VAL  42          3HG2      VAL  42  -8.135  15.772  -7.766
  334   HG22  VAL  42          1HG2      VAL  42  -9.234  14.508  -7.179
  335   HG23  VAL  42          2HG2      VAL  42  -7.640  14.744  -6.424
  336    H    ASP  43           H        ASP  43  -8.933  10.652  -9.325
  337    HA   ASP  43           HA       ASP  43  -6.785   8.916 -10.023
  338    HB2  ASP  43           2HB      ASP  43  -9.205   8.322  -9.960
  339    HB3  ASP  43           3HB      ASP  43  -9.451   9.269 -11.422
  340    HA   PRO  44           HA       PRO  44  -5.029  11.666 -13.085
  341    HB2  PRO  44           2HB      PRO  44  -2.943  10.111 -13.998
  342    HB3  PRO  44           3HB      PRO  44  -2.964  10.883 -12.383
  343    HG2  PRO  44           2HG      PRO  44  -3.775   8.035 -13.084
  344    HG3  PRO  44           3HG      PRO  44  -2.651   8.576 -11.791
  345    HD2  PRO  44           2HD      PRO  44  -5.237   8.016 -11.276
  346    HD3  PRO  44           3HD      PRO  44  -4.425   9.399 -10.475
  347    H    GLU  45           H        GLU  45  -6.500   8.628 -13.848
  348    HA   GLU  45           HA       GLU  45  -6.476   9.129 -16.798
  349    HB2  GLU  45           2HB      GLU  45  -7.323   6.684 -15.192
  350    HB3  GLU  45           3HB      GLU  45  -7.300   6.819 -16.947
  351    HG2  GLU  45           2HG      GLU  45  -4.866   7.042 -16.963
  352    HG3  GLU  45           3HG      GLU  45  -4.807   7.059 -15.201
  353    H    LYS  46           H        LYS  46  -8.358   9.617 -14.020
  354    HA   LYS  46           HA       LYS  46 -10.865  10.163 -15.513
  355    HB2  LYS  46           2HB      LYS  46 -10.636   8.232 -13.179
  356    HB3  LYS  46           3HB      LYS  46 -12.162   8.909 -13.759
  357    HG2  LYS  46           2HG      LYS  46 -11.858   7.837 -15.937
  358    HG3  LYS  46           3HG      LYS  46 -10.345   7.089 -15.383
  359    HD2  LYS  46           2HD      LYS  46 -12.993   6.754 -13.917
  360    HD3  LYS  46           3HD      LYS  46 -12.463   5.659 -15.215
  361    HE2  LYS  46           2HE      LYS  46 -10.359   5.193 -13.928
  362    HE3  LYS  46           3HE      LYS  46 -10.958   6.196 -12.607
  363    HZ1  LYS  46           3HZ      LYS  46 -12.258   3.716 -13.604
  364    HZ2  LYS  46           1HZ      LYS  46 -11.437   3.868 -12.201
  365    HZ3  LYS  46           2HZ      LYS  46 -12.856   4.651 -12.405
  366    HA   PRO  47           HA       PRO  47  -9.530  13.040 -12.007
  367    HB2  PRO  47           2HB      PRO  47  -9.560  15.442 -13.403
  368    HB3  PRO  47           3HB      PRO  47  -8.145  14.364 -13.227
  369    HG2  PRO  47           2HG      PRO  47 -10.116  14.489 -15.529
  370    HG3  PRO  47           3HG      PRO  47  -8.319  14.443 -15.600
  371    HD2  PRO  47           2HD      PRO  47  -9.775  12.210 -15.970
  372    HD3  PRO  47           3HD      PRO  47  -8.262  12.163 -15.014
  373    H    GLN  48           H        GLN  48 -12.232  13.013 -14.208
  374    HA   GLN  48           HA       GLN  48 -13.951  14.919 -12.981
  375    HB2  GLN  48           2HB      GLN  48 -14.166  13.863 -15.241
  376    HB3  GLN  48           3HB      GLN  48 -14.667  12.354 -14.462
  377    HG2  GLN  48           2HG      GLN  48 -16.660  13.491 -13.532
  378    HG3  GLN  48           3HG      GLN  48 -16.109  15.034 -14.191
  379   HE21  GLN  48          2HE2      GLN  48 -18.529  14.655 -14.999
  380   HE22  GLN  48          1HE2      GLN  48 -18.625  13.942 -16.604
  381    H    LEU  49           H        LEU  49 -13.091  11.618 -11.927
  382    HA   LEU  49           HA       LEU  49 -15.224  11.133 -10.089
  383    HB2  LEU  49           2HB      LEU  49 -12.246  10.474 -10.155
  384    HB3  LEU  49           3HB      LEU  49 -13.273   9.889  -8.867
  385    HG   LEU  49           HG       LEU  49 -13.836   9.242 -11.785
  386   HD11  LEU  49          1HD1      LEU  49 -11.630   8.428 -11.118
  387   HD12  LEU  49          2HD1      LEU  49 -12.289   7.738  -9.637
  388   HD13  LEU  49          3HD1      LEU  49 -12.765   7.062 -11.217
  389   HD21  LEU  49          3HD2      LEU  49 -15.763   8.988 -10.248
  390   HD22  LEU  49          1HD2      LEU  49 -15.145   7.396 -10.720
  391   HD23  LEU  49          2HD2      LEU  49 -14.754   8.066  -9.115
  392    H    GLY  50           H        GLY  50 -12.489  13.359  -9.801
  393    HA2  GLY  50           2HA      GLY  50 -11.523  14.413  -7.962
  394    HA3  GLY  50           3HA      GLY  50 -12.899  13.948  -6.955
  395    H    MET  51           H        MET  51 -11.488  13.208  -5.334
  396    HA   MET  51           HA       MET  51  -9.332  11.454  -5.705
  397    HB2  MET  51           2HB      MET  51 -10.608  11.939  -3.021
  398    HB3  MET  51           3HB      MET  51  -8.916  11.674  -3.433
  399    HG2  MET  51           2HG      MET  51  -9.200  13.965  -4.758
  400    HG3  MET  51           3HG      MET  51 -10.614  14.160  -3.726
  401    HE1  MET  51           3HE      MET  51  -6.969  13.059  -3.680
  402    HE2  MET  51           1HE      MET  51  -6.901  14.761  -4.168
  403    HE3  MET  51           2HE      MET  51  -6.174  14.260  -2.622
  404    H    ILE  52           H        ILE  52  -9.117   9.284  -5.524
  405    HA   ILE  52           HA       ILE  52 -11.327   7.734  -4.284
  406    HB   ILE  52           HB       ILE  52 -10.844   5.892  -5.901
  407   HG12  ILE  52          2HG1      ILE  52  -9.507   7.967  -7.679
  408   HG13  ILE  52          3HG1      ILE  52  -8.569   6.904  -6.632
  409   HG21  ILE  52          1HG2      ILE  52 -11.883   8.412  -7.215
  410   HG22  ILE  52          2HG2      ILE  52 -12.283   6.718  -7.609
  411   HG23  ILE  52          3HG2      ILE  52 -12.784   7.393  -6.053
  412   HD11  ILE  52          3HD1      ILE  52  -9.590   4.917  -7.666
  413   HD12  ILE  52          1HD1      ILE  52 -10.446   5.975  -8.824
  414   HD13  ILE  52          2HD1      ILE  52  -8.674   5.923  -8.800
  415    H    ASP  53           H        ASP  53 -10.761   5.650  -3.581
  416    HA   ASP  53           HA       ASP  53  -8.043   5.459  -2.363
  417    HB2  ASP  53           2HB      ASP  53 -10.602   3.890  -1.851
  418    HB3  ASP  53           3HB      ASP  53  -9.049   3.590  -1.068
  419    H    ARG  54           H        ARG  54  -6.922   5.016  -4.232
  420    HA   ARG  54           HA       ARG  54  -7.622   2.796  -6.033
  421    HB2  ARG  54           2HB      ARG  54  -6.325   5.240  -6.275
  422    HB3  ARG  54           3HB      ARG  54  -4.956   4.140  -6.263
  423    HG2  ARG  54           2HG      ARG  54  -5.641   3.067  -8.242
  424    HG3  ARG  54           3HG      ARG  54  -7.317   3.669  -8.102
  425    HD2  ARG  54           2HD      ARG  54  -6.366   6.020  -8.344
  426    HD3  ARG  54           3HD      ARG  54  -4.835   5.266  -8.816
  427    HE   ARG  54           HE       ARG  54  -7.368   5.449 -10.353
  428   HH11  ARG  54          1HH2      ARG  54  -4.214   3.889 -10.422
  429   HH12  ARG  54          2HH2      ARG  54  -4.251   3.828 -12.172
  430   HH21  ARG  54          1HH1      ARG  54  -7.212   5.529 -12.430
  431   HH22  ARG  54          2HH1      ARG  54  -5.916   4.713 -13.305
  432    H    TRP  55           H        TRP  55  -7.168   0.714  -5.438
  433    HA   TRP  55           HA       TRP  55  -5.173   0.192  -3.348
  434    HB2  TRP  55           2HB      TRP  55  -7.161  -1.645  -4.697
  435    HB3  TRP  55           3HB      TRP  55  -6.048  -2.129  -3.428
  436    HD1  TRP  55           HD1      TRP  55  -9.268  -0.231  -3.974
  437    HE1  TRP  55           HE1      TRP  55 -10.366   0.349  -1.737
  438    HE3  TRP  55           HE3      TRP  55  -5.499  -1.698  -0.782
  439    HZ2  TRP  55           HZ2      TRP  55  -9.677   0.297   1.055
  440    HZ3  TRP  55           HZ3      TRP  55  -5.720  -1.298   1.644
  441    HH2  TRP  55           HH2      TRP  55  -7.802  -0.327   2.583
  442    H    TYR  56           H        TYR  56  -3.580  -1.407  -3.435
  443    HA   TYR  56           HA       TYR  56  -2.446  -2.322  -6.006
  444    HB2  TYR  56           2HB      TYR  56  -1.013  -0.622  -3.918
  445    HB3  TYR  56           3HB      TYR  56  -0.251  -1.376  -5.313
  446    HD1  TYR  56           HD1      TYR  56  -0.820  -0.632  -7.612
  447    HD2  TYR  56           HD2      TYR  56  -2.210   1.488  -4.140
  448    HE1  TYR  56           HE1      TYR  56  -1.389   1.345  -9.045
  449    HE2  TYR  56           HE2      TYR  56  -2.822   3.431  -5.573
  450    HH   TYR  56           HH       TYR  56  -2.239   3.436  -9.108
  451    H    HIS  57           H        HIS  57  -0.921  -3.975  -5.785
  452    HA   HIS  57           HA       HIS  57  -0.945  -5.689  -3.409
  453    HB2  HIS  57           2HB      HIS  57   0.789  -5.780  -5.879
  454    HB3  HIS  57           3HB      HIS  57   0.904  -6.940  -4.590
  455    HD2  HIS  57           HD2      HIS  57  -1.528  -8.291  -3.981
  456    HE1  HIS  57           HE1      HIS  57  -2.793  -8.279  -8.035
  457    HE2  HIS  57           HE2      HIS  57  -3.115  -9.376  -5.791
  458    HA   PRO  58           HA       PRO  58   2.733  -4.106  -1.253
  459    HB2  PRO  58           2HB      PRO  58   3.621  -6.984  -1.182
  460    HB3  PRO  58           3HB      PRO  58   3.594  -5.775   0.142
  461    HG2  PRO  58           2HG      PRO  58   1.633  -7.614   0.011
  462    HG3  PRO  58           3HG      PRO  58   1.199  -5.888   0.283
  463    HD2  PRO  58           2HD      PRO  58   1.169  -7.431  -2.326
  464    HD3  PRO  58           3HD      PRO  58  -0.112  -6.409  -1.611
  465    H    GLY  59           H        GLY  59   3.242  -6.250  -4.014
  466    HA2  GLY  59           2HA      GLY  59   6.017  -5.341  -4.468
  467    HA3  GLY  59           3HA      GLY  59   5.042  -6.371  -5.522
  468    H    CYS  60           HN       CYS  60   2.772  -4.763  -5.947
  469    HA   CYS  60           HA       CYS  60   3.788  -3.161  -8.039
  470    HB2  CYS  60           2HB      CYS  60   0.961  -3.336  -6.962
  471    HB3  CYS  60           3HB      CYS  60   1.443  -2.828  -8.588
  472    H    PHE  61           H        PHE  61   2.317  -2.180  -4.921
  473    HA   PHE  61           HA       PHE  61   2.262   0.603  -5.566
  474    HB2  PHE  61           2HB      PHE  61   1.480   0.894  -3.511
  475    HB3  PHE  61           3HB      PHE  61   1.366  -0.858  -3.473
  476    HD1  PHE  61           HD2      PHE  61   3.241  -2.183  -2.466
  477    HD2  PHE  61           HD1      PHE  61   3.011   2.080  -2.097
  478    HE1  PHE  61           HE2      PHE  61   4.699  -2.294  -0.431
  479    HE2  PHE  61           HE1      PHE  61   4.450   1.992  -0.052
  480    HZ   PHE  61           HZ       PHE  61   5.286  -0.198   0.781
  481    H    VAL  62           H        VAL  62   4.931  -1.461  -4.471
  482    HA   VAL  62           HA       VAL  62   6.901   0.665  -4.303
  483    HB   VAL  62           HB       VAL  62   7.293  -2.311  -4.731
  484   HG11  VAL  62          1HG1      VAL  62   9.309  -0.148  -4.009
  485   HG12  VAL  62          2HG1      VAL  62   9.607  -1.898  -3.959
  486   HG13  VAL  62          3HG1      VAL  62   9.279  -1.118  -5.505
  487   HG21  VAL  62          3HG2      VAL  62   7.884  -2.300  -2.335
  488   HG22  VAL  62          1HG2      VAL  62   7.467  -0.571  -2.235
  489   HG23  VAL  62          2HG2      VAL  62   6.227  -1.788  -2.592
  490    H    LYS  63           H        LYS  63   5.898  -1.515  -6.997
  491    HA   LYS  63           HA       LYS  63   7.880  -0.592  -8.861
  492    HB2  LYS  63           2HB      LYS  63   5.124  -1.801  -9.281
  493    HB3  LYS  63           3HB      LYS  63   6.210  -1.390 -10.606
  494    HG2  LYS  63           2HG      LYS  63   7.947  -2.907  -9.608
  495    HG3  LYS  63           3HG      LYS  63   6.740  -3.469  -8.454
  496    HD2  LYS  63           2HD      LYS  63   6.564  -3.632 -11.496
  497    HD3  LYS  63           3HD      LYS  63   6.959  -4.977 -10.438
  498    HE2  LYS  63           2HE      LYS  63   4.306  -3.471 -10.298
  499    HE3  LYS  63           3HE      LYS  63   4.558  -4.852 -11.359
  500    HZ1  LYS  63           3HZ      LYS  63   4.891  -6.267  -9.507
  501    HZ2  LYS  63           1HZ      LYS  63   5.017  -5.026  -8.443
  502    HZ3  LYS  63           2HZ      LYS  63   3.571  -5.366  -9.119
  503    H    ASN  64           H        ASN  64   4.637   0.728  -8.146
  504    HA   ASN  64           HA       ASN  64   5.225   3.032  -9.933
  505    HB2  ASN  64           2HB      ASN  64   2.654   3.447  -9.497
  506    HB3  ASN  64           3HB      ASN  64   3.301   2.503 -10.816
  507   HD21  ASN  64          1HD2      ASN  64   1.802   2.158  -7.549
  508   HD22  ASN  64          2HD2      ASN  64   1.090   0.608  -8.003
  509    H    ARG  65           H        ARG  65   6.136   2.486  -6.957
  510    HA   ARG  65           HA       ARG  65   5.060   4.367  -5.282
  511    HB2  ARG  65           2HB      ARG  65   7.125   4.312  -4.071
  512    HB3  ARG  65           3HB      ARG  65   6.940   2.743  -4.815
  513    HG2  ARG  65           2HG      ARG  65   8.439   3.608  -6.724
  514    HG3  ARG  65           3HG      ARG  65   8.754   5.026  -5.709
  515    HD2  ARG  65           2HD      ARG  65   9.720   3.660  -3.982
  516    HD3  ARG  65           3HD      ARG  65   9.288   2.165  -4.828
  517    HE   ARG  65           HE       ARG  65  11.560   3.917  -5.351
  518   HH11  ARG  65          1HH2      ARG  65   9.519   1.502  -6.914
  519   HH12  ARG  65          2HH2      ARG  65  10.766   1.106  -8.070
  520   HH21  ARG  65          1HH1      ARG  65  13.065   3.351  -6.870
  521   HH22  ARG  65          2HH1      ARG  65  12.699   2.129  -8.049
  522    H    GLU  66           H        GLU  66   7.242   5.045  -7.944
  523    HA   GLU  66           HA       GLU  66   7.629   7.834  -7.234
  524    HB2  GLU  66           2HB      GLU  66   8.963   7.916  -9.299
  525    HB3  GLU  66           3HB      GLU  66   9.441   6.626  -8.187
  526    HG2  GLU  66           2HG      GLU  66   8.330   4.939  -9.560
  527    HG3  GLU  66           3HG      GLU  66   7.694   6.182 -10.645
  528    H    GLU  67           H        GLU  67   5.358   6.092  -9.239
  529    HA   GLU  67           HA       GLU  67   4.186   8.503 -10.440
  530    HB2  GLU  67           2HB      GLU  67   4.115   6.304 -11.572
  531    HB3  GLU  67           3HB      GLU  67   3.113   5.667 -10.261
  532    HG2  GLU  67           2HG      GLU  67   1.329   7.257 -10.792
  533    HG3  GLU  67           3HG      GLU  67   2.354   8.059 -11.987
  534    H    LEU  68           H        LEU  68   3.594   6.297  -7.690
  535    HA   LEU  68           HA       LEU  68   1.402   7.819  -6.555
  536    HB2  LEU  68           2HB      LEU  68   3.277   5.738  -5.371
  537    HB3  LEU  68           3HB      LEU  68   1.837   6.349  -4.571
  538    HG   LEU  68           HG       LEU  68   1.849   4.784  -7.197
  539   HD11  LEU  68          1HD1      LEU  68   2.457   3.387  -5.276
  540   HD12  LEU  68          2HD1      LEU  68   1.044   3.980  -4.375
  541   HD13  LEU  68          3HD1      LEU  68   0.815   2.997  -5.831
  542   HD21  LEU  68          3HD2      LEU  68  -0.586   4.652  -6.842
  543   HD22  LEU  68          1HD2      LEU  68  -0.444   5.771  -5.478
  544   HD23  LEU  68          2HD2      LEU  68  -0.063   6.304  -7.132
  545    H    GLY  69           H        GLY  69   4.786   8.475  -6.566
  546    HA2  GLY  69           2HA      GLY  69   5.636  10.588  -6.050
  547    HA3  GLY  69           3HA      GLY  69   4.178  10.980  -5.139
  548    H    PHE  70           H        PHE  70   5.813   7.997  -4.335
  549    HA   PHE  70           HA       PHE  70   6.387   8.752  -1.623
  550    HB2  PHE  70           2HB      PHE  70   7.133   6.429  -3.397
  551    HB3  PHE  70           3HB      PHE  70   7.923   6.628  -1.855
  552    HD1  PHE  70           HD1      PHE  70   4.618   5.957  -3.434
  553    HD2  PHE  70           HD2      PHE  70   6.853   6.229   0.243
  554    HE1  PHE  70           HE1      PHE  70   2.838   4.695  -2.255
  555    HE2  PHE  70           HE2      PHE  70   5.078   4.968   1.419
  556    HZ   PHE  70           HZ       PHE  70   3.075   4.184   0.165
  557    H    ARG  71           H        ARG  71   8.162   9.316  -0.606
  558    HA   ARG  71           HA       ARG  71  10.832   9.480  -1.882
  559    HB2  ARG  71           2HB      ARG  71   9.536  11.646  -0.181
  560    HB3  ARG  71           3HB      ARG  71  11.221  11.645  -0.688
  561    HG2  ARG  71           2HG      ARG  71  10.574  11.963  -3.031
  562    HG3  ARG  71           3HG      ARG  71   8.847  11.880  -2.588
  563    HD2  ARG  71           2HD      ARG  71   9.166  13.754  -1.007
  564    HD3  ARG  71           3HD      ARG  71  10.865  13.886  -1.499
  565    HE   ARG  71           HE       ARG  71   9.269  14.124  -3.830
  566   HH11  ARG  71          1HH2      ARG  71   9.852  15.942  -0.867
  567   HH12  ARG  71          2HH2      ARG  71   9.448  17.464  -1.629
  568   HH21  ARG  71          1HH1      ARG  71   8.771  16.114  -4.722
  569   HH22  ARG  71          2HH1      ARG  71   8.854  17.552  -3.748
  570    HA   PRO  72           HA       PRO  72  12.026   7.693   2.048
  571    HB2  PRO  72           2HB      PRO  72  14.189   9.775   2.247
  572    HB3  PRO  72           3HB      PRO  72  14.291   8.004   2.483
  573    HG2  PRO  72           2HG      PRO  72  15.147   9.117   0.146
  574    HG3  PRO  72           3HG      PRO  72  14.173   7.609   0.111
  575    HD2  PRO  72           2HD      PRO  72  13.233  10.460  -0.339
  576    HD3  PRO  72           3HD      PRO  72  12.861   8.986  -1.283
  577    H    GLU  73           H        GLU  73  11.626  11.261   1.959
  578    HA   GLU  73           HA       GLU  73  11.447  11.568   4.808
  579    HB2  GLU  73           2HB      GLU  73  10.570  13.768   4.371
  580    HB3  GLU  73           3HB      GLU  73  11.917  13.438   3.283
  581    HG2  GLU  73           2HG      GLU  73  10.335  12.936   1.454
  582    HG3  GLU  73           3HG      GLU  73   8.967  13.259   2.520
  583    H    TYR  74           H        TYR  74   9.268  10.013   2.731
  584    HA   TYR  74           HA       TYR  74   7.520   9.466   4.964
  585    HB2  TYR  74           2HB      TYR  74   5.414   9.994   3.554
  586    HB3  TYR  74           3HB      TYR  74   6.221  11.225   4.482
  587    HD1  TYR  74           HD2      TYR  74   7.074  10.004   1.013
  588    HD2  TYR  74           HD1      TYR  74   5.724  13.238   3.519
  589    HE1  TYR  74           HE2      TYR  74   7.103  11.554  -0.951
  590    HE2  TYR  74           HE1      TYR  74   5.777  14.779   1.571
  591    HH   TYR  74           HH       TYR  74   6.184  15.000  -0.668
  592    H    SER  75           H        SER  75   8.981   7.610   4.352
  593    HA   SER  75           HA       SER  75   8.383   5.847   2.205
  594    HB2  SER  75           2HB      SER  75   9.674   4.282   3.497
  595    HB3  SER  75           3HB      SER  75  10.417   5.876   3.649
  596    HG   SER  75           HG       SER  75  10.031   4.533   5.654
  597    H    ALA  76           H        ALA  76   7.839   3.420   3.080
  598    HA   ALA  76           HA       ALA  76   5.075   3.140   3.339
  599    HB1  ALA  76           1HB      ALA  76   5.612   0.799   3.884
  600    HB2  ALA  76           2HB      ALA  76   6.645   1.392   2.571
  601    HB3  ALA  76           3HB      ALA  76   7.298   1.242   4.220
  602    H    SER  77           H        SER  77   7.302   3.888   5.980
  603    HA   SER  77           HA       SER  77   5.619   2.923   8.127
  604    HB2  SER  77           2HB      SER  77   7.684   5.156   8.166
  605    HB3  SER  77           3HB      SER  77   6.985   4.341   9.577
  606    HG   SER  77           HG       SER  77   7.805   2.340   8.467
  607    H    GLN  78           H        GLN  78   5.291   5.663   6.000
  608    HA   GLN  78           HA       GLN  78   3.385   6.948   7.823
  609    HB2  GLN  78           2HB      GLN  78   4.649   8.062   5.303
  610    HB3  GLN  78           3HB      GLN  78   3.537   8.884   6.400
  611    HG2  GLN  78           2HG      GLN  78   5.313   8.321   8.263
  612    HG3  GLN  78           3HG      GLN  78   6.401   8.048   6.910
  613   HE21  GLN  78          2HE2      GLN  78   7.644   9.875   7.963
  614   HE22  GLN  78          1HE2      GLN  78   7.175  11.493   7.484
  615    H    LEU  79           H        LEU  79   2.862   4.422   6.292
  616    HA   LEU  79           HA       LEU  79   0.432   5.213   4.768
  617    HB2  LEU  79           2HB      LEU  79   1.686   2.541   5.504
  618    HB3  LEU  79           3HB      LEU  79   0.136   2.687   4.697
  619    HG   LEU  79           HG       LEU  79   2.588   3.892   3.396
  620   HD11  LEU  79          1HD1      LEU  79   3.078   1.845   2.217
  621   HD12  LEU  79          2HD1      LEU  79   3.194   1.510   3.953
  622   HD13  LEU  79          3HD1      LEU  79   1.780   0.979   3.049
  623   HD21  LEU  79          3HD2      LEU  79   0.188   2.459   2.204
  624   HD22  LEU  79          1HD2      LEU  79   0.219   4.188   2.555
  625   HD23  LEU  79          2HD2      LEU  79   1.351   3.508   1.379
  626    H    LYS  80           H        LYS  80  -1.563   5.255   5.669
  627    HA   LYS  80           HA       LYS  80  -2.052   5.113   8.459
  628    HB2  LYS  80           2HB      LYS  80  -4.105   4.500   6.288
  629    HB3  LYS  80           3HB      LYS  80  -4.434   4.946   7.961
  630    HG2  LYS  80           2HG      LYS  80  -3.231   7.124   7.521
  631    HG3  LYS  80           3HG      LYS  80  -3.209   6.682   5.800
  632    HD2  LYS  80           2HD      LYS  80  -5.687   7.055   7.549
  633    HD3  LYS  80           3HD      LYS  80  -5.053   8.239   6.400
  634    HE2  LYS  80           2HE      LYS  80  -5.434   6.656   4.530
  635    HE3  LYS  80           3HE      LYS  80  -6.071   5.456   5.669
  636    HZ1  LYS  80           3HZ      LYS  80  -7.858   7.015   6.220
  637    HZ2  LYS  80           1HZ      LYS  80  -7.275   8.130   5.176
  638    HZ3  LYS  80           2HZ      LYS  80  -7.863   6.713   4.617
  639    H    GLY  81           H        GLY  81  -2.292   3.476   9.869
  640    HA2  GLY  81           2HA      GLY  81  -2.791   1.383  10.730
  641    HA3  GLY  81           3HA      GLY  81  -3.477   0.929   9.171
  642    H    PHE  82           H        PHE  82  -0.223   1.884   8.661
  643    HA   PHE  82           HA       PHE  82   0.782  -0.716   8.063
  644    HB2  PHE  82           2HB      PHE  82   1.923   1.076   7.105
  645    HB3  PHE  82           3HB      PHE  82   1.957   2.013   8.590
  646    HD1  PHE  82           HD1      PHE  82   3.606   1.616  10.355
  647    HD2  PHE  82           HD2      PHE  82   3.794  -0.442   6.566
  648    HE1  PHE  82           HE1      PHE  82   5.967   1.002  10.805
  649    HE2  PHE  82           HE2      PHE  82   6.165  -1.011   7.009
  650    HZ   PHE  82           HZ       PHE  82   7.247  -0.321   9.127
  651    H    SER  83           H        SER  83   0.901   1.242  11.028
  652    HA   SER  83           HA       SER  83   2.673  -0.353  12.547
  653    HB2  SER  83           2HB      SER  83   1.714   0.975  14.453
  654    HB3  SER  83           3HB      SER  83   2.249   1.945  13.063
  655    HG   SER  83           HG       SER  83   0.177   2.588  13.847
  656    H    LEU  84           H        LEU  84  -0.709  -0.881  11.862
  657    HA   LEU  84           HA       LEU  84  -1.123  -2.724  14.132
  658    HB2  LEU  84           2HB      LEU  84  -2.883  -1.603  11.924
  659    HB3  LEU  84           3HB      LEU  84  -3.405  -2.966  12.877
  660    HG   LEU  84           HG       LEU  84  -4.401  -0.943  13.677
  661   HD11  LEU  84          1HD1      LEU  84  -3.975  -1.169  16.041
  662   HD12  LEU  84          2HD1      LEU  84  -3.913  -2.771  15.287
  663   HD13  LEU  84          3HD1      LEU  84  -2.407  -1.942  15.747
  664   HD21  LEU  84          3HD2      LEU  84  -3.228   0.852  14.759
  665   HD22  LEU  84          1HD2      LEU  84  -1.661   0.061  14.515
  666   HD23  LEU  84          2HD2      LEU  84  -2.581   0.668  13.119
  667    H    LEU  85           H        LEU  85   0.264  -3.063  11.062
  668    HA   LEU  85           HA       LEU  85  -0.625  -5.802  10.505
  669    HB2  LEU  85           2HB      LEU  85   1.746  -4.187   9.520
  670    HB3  LEU  85           3HB      LEU  85   1.287  -5.758   8.890
  671    HG   LEU  85           HG       LEU  85  -0.533  -3.314   8.750
  672   HD11  LEU  85          1HD1      LEU  85   1.306  -4.501   6.623
  673   HD12  LEU  85          2HD1      LEU  85   0.178  -3.146   6.401
  674   HD13  LEU  85          3HD1      LEU  85   1.578  -2.964   7.471
  675   HD21  LEU  85          3HD2      LEU  85  -1.634  -4.601   6.957
  676   HD22  LEU  85          1HD2      LEU  85  -0.612  -5.990   7.348
  677   HD23  LEU  85          2HD2      LEU  85  -1.777  -5.373   8.542
  678    H    ALA  86           H        ALA  86   1.086  -7.588  10.393
  679    HA   ALA  86           HA       ALA  86   2.344  -8.046  12.948
  680    HB1  ALA  86           1HB      ALA  86   2.720  -9.473  10.281
  681    HB2  ALA  86           2HB      ALA  86   3.181 -10.089  11.882
  682    HB3  ALA  86           3HB      ALA  86   1.467  -9.855  11.485
  683    H    THR  87           H        THR  87   4.548  -8.104  13.478
  684    HA   THR  87           HA       THR  87   6.221  -6.049  12.652
  685    HB   THR  87           HB       THR  87   7.168  -8.732  13.697
  686    HG1  THR  87           1HG      THR  87   6.722  -7.876  15.740
  687   HG21  THR  87          1HG2      THR  87   8.208  -5.887  14.121
  688   HG22  THR  87          2HG2      THR  87   8.837  -7.342  14.929
  689   HG23  THR  87          3HG2      THR  87   9.011  -7.163  13.179
  690    H    GLU  88           H        GLU  88   6.176  -9.405  11.365
  691    HA   GLU  88           HA       GLU  88   8.499  -9.095   9.715
  692    HB2  GLU  88           2HB      GLU  88   7.814 -11.151   8.651
  693    HB3  GLU  88           3HB      GLU  88   7.651 -11.265  10.402
  694    HG2  GLU  88           2HG      GLU  88   5.175 -10.847  10.156
  695    HG3  GLU  88           3HG      GLU  88   5.381 -10.865   8.403
  696    H    ASP  89           H        ASP  89   5.102  -8.230   9.103
  697    HA   ASP  89           HA       ASP  89   5.610  -7.622   6.259
  698    HB2  ASP  89           2HB      ASP  89   3.240  -7.098   8.088
  699    HB3  ASP  89           3HB      ASP  89   3.318  -6.598   6.402
  700    H    LYS  90           H        LYS  90   5.314  -5.812   9.325
  701    HA   LYS  90           HA       LYS  90   5.658  -3.172   8.258
  702    HB2  LYS  90           2HB      LYS  90   6.288  -4.409  10.967
  703    HB3  LYS  90           3HB      LYS  90   6.511  -2.684  10.631
  704    HG2  LYS  90           2HG      LYS  90   4.222  -2.315  10.216
  705    HG3  LYS  90           3HG      LYS  90   3.873  -4.034  10.038
  706    HD2  LYS  90           2HD      LYS  90   2.947  -3.256  12.096
  707    HD3  LYS  90           3HD      LYS  90   4.233  -4.424  12.420
  708    HE2  LYS  90           2HE      LYS  90   5.772  -2.580  13.002
  709    HE3  LYS  90           3HE      LYS  90   4.524  -1.397  12.587
  710    HZ1  LYS  90           3HZ      LYS  90   3.131  -2.358  14.372
  711    HZ2  LYS  90           1HZ      LYS  90   4.315  -3.415  14.765
  712    HZ3  LYS  90           2HZ      LYS  90   4.555  -1.816  14.985
  713    H    GLU  91           H        GLU  91   8.096  -5.572   9.292
  714    HA   GLU  91           HA       GLU  91  10.377  -3.938   8.572
  715    HB2  GLU  91           2HB      GLU  91   9.979  -6.938   8.875
  716    HB3  GLU  91           3HB      GLU  91  11.524  -6.230   8.425
  717    HG2  GLU  91           2HG      GLU  91  10.018  -5.593  10.995
  718    HG3  GLU  91           3HG      GLU  91  11.343  -6.742  10.850
  719    H    ALA  92           H        ALA  92   8.672  -6.555   6.723
  720    HA   ALA  92           HA       ALA  92  10.335  -6.399   4.469
  721    HB1  ALA  92           1HB      ALA  92   7.418  -7.242   4.659
  722    HB2  ALA  92           2HB      ALA  92   8.536  -7.642   3.333
  723    HB3  ALA  92           3HB      ALA  92   8.841  -8.268   4.964
  724    H    LEU  93           H        LEU  93   7.361  -4.474   5.084
  725    HA   LEU  93           HA       LEU  93   7.249  -3.250   2.484
  726    HB2  LEU  93           2HB      LEU  93   6.266  -2.421   5.237
  727    HB3  LEU  93           3HB      LEU  93   5.929  -1.479   3.788
  728    HG   LEU  93           HG       LEU  93   5.086  -4.392   4.099
  729   HD11  LEU  93          1HD1      LEU  93   3.475  -1.838   4.519
  730   HD12  LEU  93          2HD1      LEU  93   2.847  -3.501   4.575
  731   HD13  LEU  93          3HD1      LEU  93   4.003  -2.961   5.797
  732   HD21  LEU  93          3HD2      LEU  93   4.226  -2.220   2.147
  733   HD22  LEU  93          1HD2      LEU  93   5.221  -3.643   1.758
  734   HD23  LEU  93          2HD2      LEU  93   3.540  -3.856   2.258
  735    H    LYS  94           H        LYS  94   8.989  -2.297   5.480
  736    HA   LYS  94           HA       LYS  94  10.189   0.083   4.308
  737    HB2  LYS  94           2HB      LYS  94  11.055  -1.658   6.644
  738    HB3  LYS  94           3HB      LYS  94  11.817  -0.134   6.195
  739    HG2  LYS  94           2HG      LYS  94   9.727   1.095   6.599
  740    HG3  LYS  94           3HG      LYS  94   8.896  -0.398   7.034
  741    HD2  LYS  94           2HD      LYS  94  11.277   0.818   8.507
  742    HD3  LYS  94           3HD      LYS  94   9.586   0.873   9.031
  743    HE2  LYS  94           2HE      LYS  94   9.534  -1.601   9.177
  744    HE3  LYS  94           3HE      LYS  94  11.222  -1.670   8.665
  745    HZ1  LYS  94           3HZ      LYS  94  11.797  -0.415  10.691
  746    HZ2  LYS  94           1HZ      LYS  94  10.232  -0.488  11.197
  747    HZ3  LYS  94           2HZ      LYS  94  11.116  -1.863  11.004
  748    H    LYS  95           H        LYS  95  11.240  -3.338   4.550
  749    HA   LYS  95           HA       LYS  95  13.846  -2.902   3.497
  750    HB2  LYS  95           2HB      LYS  95  12.212  -5.437   3.060
  751    HB3  LYS  95           3HB      LYS  95  13.944  -5.257   2.856
  752    HG2  LYS  95           2HG      LYS  95  12.371  -5.557   5.354
  753    HG3  LYS  95           3HG      LYS  95  13.833  -6.350   4.847
  754    HD2  LYS  95           2HD      LYS  95  15.184  -4.373   5.416
  755    HD3  LYS  95           3HD      LYS  95  13.707  -3.454   5.809
  756    HE2  LYS  95           2HE      LYS  95  13.107  -5.200   7.486
  757    HE3  LYS  95           3HE      LYS  95  14.666  -5.984   7.215
  758    HZ1  LYS  95           3HZ      LYS  95  14.438  -3.159   8.089
  759    HZ2  LYS  95           1HZ      LYS  95  14.488  -4.402   9.141
  760    HZ3  LYS  95           2HZ      LYS  95  15.778  -4.101   8.144
  761    H    GLN  96           H        GLN  96  10.842  -3.070   1.736
  762    HA   GLN  96           HA       GLN  96  12.237  -3.012  -0.890
  763    HB2  GLN  96           2HB      GLN  96   9.280  -3.069  -0.182
  764    HB3  GLN  96           3HB      GLN  96   9.947  -3.125  -1.813
  765    HG2  GLN  96           2HG      GLN  96  10.418  -5.242   0.331
  766    HG3  GLN  96           3HG      GLN  96   9.236  -5.348  -0.960
  767   HE21  GLN  96          2HE2      GLN  96  11.095  -7.380  -0.702
  768   HE22  GLN  96          1HE2      GLN  96  12.227  -7.279  -2.043
  769    H    LEU  97           H        LEU  97  10.505  -0.845   1.313
  770    HA   LEU  97           HA       LEU  97  11.304   1.481  -0.339
  771    HB2  LEU  97           2HB      LEU  97   9.122   0.785  -1.103
  772    HB3  LEU  97           3HB      LEU  97   8.469   0.795   0.530
  773    HG   LEU  97           HG       LEU  97   8.411   3.162   0.628
  774   HD11  LEU  97          1HD1      LEU  97  10.223   3.192  -1.816
  775   HD12  LEU  97          2HD1      LEU  97   9.371   4.621  -1.175
  776   HD13  LEU  97          3HD1      LEU  97  10.593   3.813  -0.191
  777   HD21  LEU  97          3HD2      LEU  97   7.801   2.326  -2.240
  778   HD22  LEU  97          1HD2      LEU  97   6.736   2.115  -0.835
  779   HD23  LEU  97          2HD2      LEU  97   7.142   3.740  -1.401
  780    HA   PRO  98           HA       PRO  98  11.882   2.221   4.156
  781    HB2  PRO  98           2HB      PRO  98  14.623   2.457   4.261
  782    HB3  PRO  98           3HB      PRO  98  13.738   0.922   4.324
  783    HG2  PRO  98           2HG      PRO  98  15.339   2.039   2.085
  784    HG3  PRO  98           3HG      PRO  98  14.838   0.350   2.399
  785    HD2  PRO  98           2HD      PRO  98  13.636   2.293   0.603
  786    HD3  PRO  98           3HD      PRO  98  13.202   0.585   0.865
  787    H    GLY  99           H        GLY  99  12.401   4.175   5.364
  788    HA2  GLY  99           2HA      GLY  99  14.098   6.269   4.466
  789    HA3  GLY  99           3HA      GLY  99  12.425   6.705   4.131
  790    H    VAL 100           H        VAL 100  12.544   8.394   5.605
  791    HA   VAL 100           HA       VAL 100  12.368   9.532   7.555
  792    HB   VAL 100           HB       VAL 100  10.688   7.168   8.276
  793   HG11  VAL 100          1HG1      VAL 100   9.199   8.846   9.319
  794   HG12  VAL 100          2HG1      VAL 100  10.814   8.952  10.016
  795   HG13  VAL 100          3HG1      VAL 100  10.302  10.148   8.808
  796   HG21  VAL 100          3HG2      VAL 100   8.837   8.229   7.004
  797   HG22  VAL 100          1HG2      VAL 100   9.996   9.441   6.389
  798   HG23  VAL 100          2HG2      VAL 100  10.158   7.732   5.953
  799    H    LYS 101           H        LYS 101  14.502   9.331   8.172
  800    HA   LYS 101           HA       LYS 101  15.419   7.372  10.126
  801    HB2  LYS 101           2HB      LYS 101  16.734   9.803   8.860
  802    HB3  LYS 101           3HB      LYS 101  17.495   8.867  10.148
  803    HG2  LYS 101           2HG      LYS 101  17.079   6.774   8.742
  804    HG3  LYS 101           3HG      LYS 101  16.710   7.861   7.391
  805    HD2  LYS 101           2HD      LYS 101  18.973   8.816   7.498
  806    HD3  LYS 101           3HD      LYS 101  19.289   7.972   9.024
  807    HE2  LYS 101           2HE      LYS 101  18.686   5.814   7.607
  808    HE3  LYS 101           3HE      LYS 101  19.125   6.833   6.228
  809    HZ1  LYS 101           3HZ      LYS 101  20.992   5.534   7.132
  810    HZ2  LYS 101           1HZ      LYS 101  21.314   7.145   7.288
  811    HZ3  LYS 101           2HZ      LYS 101  20.838   6.251   8.591
  812    H    SER 102           H        SER 102  13.399   8.032  11.395
  813    HA   SER 102           HA       SER 102  13.897   9.919  13.587
  814    HB2  SER 102           2HB      SER 102  11.639   9.067  12.972
  815    HB3  SER 102           3HB      SER 102  12.134   7.439  13.475
  816    HG   SER 102           HG       SER 102  11.025   8.563  15.139
  817    H    GLU 103           H        GLU 103  14.622   6.503  12.911
  818    HA   GLU 103           HA       GLU 103  16.034   6.147  15.493
  819    HB2  GLU 103           2HB      GLU 103  14.372   4.516  14.587
  820    HB3  GLU 103           3HB      GLU 103  15.481   4.159  13.260
  821    HG2  GLU 103           2HG      GLU 103  17.112   3.224  14.793
  822    HG3  GLU 103           3HG      GLU 103  16.234   3.846  16.196
  823    H    GLY 104           H        GLY 104  16.891   7.074  12.318
  824    HA2  GLY 104           2HA      GLY 104  18.929   7.698  11.428
  825    HA3  GLY 104           3HA      GLY 104  19.693   7.235  12.940
  826    H    LYS 105           H        LYS 105  19.133   4.502  13.004
  827    HA   LYS 105           HA       LYS 105  21.185   3.517  11.172
  828    HB2  LYS 105           2HB      LYS 105  20.859   3.132  13.715
  829    HB3  LYS 105           3HB      LYS 105  19.657   1.924  13.259
  830    HG2  LYS 105           2HG      LYS 105  21.445   0.697  11.985
  831    HG3  LYS 105           3HG      LYS 105  22.609   1.951  12.463
  832    HD2  LYS 105           2HD      LYS 105  22.050   1.423  14.882
  833    HD3  LYS 105           3HD      LYS 105  21.083   0.060  14.317
  834    HE2  LYS 105           2HE      LYS 105  24.085   0.461  13.902
  835    HE3  LYS 105           3HE      LYS 105  23.334  -0.599  15.097
  836    HZ1  LYS 105           3HZ      LYS 105  22.318  -1.808  13.155
  837    HZ2  LYS 105           1HZ      LYS 105  23.282  -0.921  12.148
  838    HZ3  LYS 105           2HZ      LYS 105  23.947  -1.920  13.239
  839    H    ARG 106           H        ARG 106  17.779   3.497  11.028
  840    HA   ARG 106           HA       ARG 106  17.431   0.845   9.999
  841    HB2  ARG 106           2HB      ARG 106  15.138   1.211  10.104
  842    HB3  ARG 106           3HB      ARG 106  15.830   2.083  11.466
  843    HG2  ARG 106           2HG      ARG 106  15.597   4.234  10.170
  844    HG3  ARG 106           3HG      ARG 106  14.899   3.308   8.829
  845    HD2  ARG 106           2HD      ARG 106  13.242   2.424  10.697
  846    HD3  ARG 106           3HD      ARG 106  13.706   3.914  11.536
  847    HE   ARG 106           HE       ARG 106  13.094   4.881   9.071
  848   HH11  ARG 106          1HH2      ARG 106  11.101   2.882  11.179
  849   HH12  ARG 106          2HH2      ARG 106   9.716   3.104  10.122
  850   HH21  ARG 106          1HH1      ARG 106  11.336   5.062   7.884
  851   HH22  ARG 106          2HH1      ARG 106   9.840   4.218   8.324
  852    H    LYS 107           H        LYS 107  18.766   3.119   8.222
  853    HA   LYS 107           HA       LYS 107  18.080   1.741   5.729
  854    HB2  LYS 107           2HB      LYS 107  16.423   3.584   5.789
  855    HB3  LYS 107           3HB      LYS 107  17.722   4.766   5.937
  856    HG2  LYS 107           2HG      LYS 107  18.592   4.106   3.709
  857    HG3  LYS 107           3HG      LYS 107  17.323   2.869   3.579
  858    HD2  LYS 107           2HD      LYS 107  15.603   4.660   3.744
  859    HD3  LYS 107           3HD      LYS 107  16.867   5.888   3.798
  860    HE2  LYS 107           2HE      LYS 107  16.423   3.921   1.498
  861    HE3  LYS 107           3HE      LYS 107  15.763   5.555   1.551
  862    HZ1  LYS 107           3HZ      LYS 107  18.054   6.410   1.634
  863    HZ2  LYS 107           1HZ      LYS 107  18.664   4.894   1.541
  864    HZ3  LYS 107           2HZ      LYS 107  17.822   5.512   0.293
  865    H    GLY 108           H        GLY 108  19.787   1.622   4.355
  866    HA2  GLY 108           2HA      GLY 108  21.852   1.995   3.415
  867    HA3  GLY 108           3HA      GLY 108  22.074   3.419   4.441
  868    H    ASP 109           H        ASP 109  21.382   0.847   6.456
  869    HA   ASP 109           HA       ASP 109  24.201  -0.103   6.703
  870    HB2  ASP 109           2HB      ASP 109  23.501   1.594   8.442
  871    HB3  ASP 109           3HB      ASP 109  22.265   0.457   8.975
  872    H    GLU 110           H        GLU 110  21.737  -1.162   5.322
  873    HA   GLU 110           HA       GLU 110  21.684  -3.890   6.485
  874    HB2  GLU 110           2HB      GLU 110  19.185  -2.351   5.649
  875    HB3  GLU 110           3HB      GLU 110  19.268  -4.017   6.227
  876    HG2  GLU 110           2HG      GLU 110  20.195  -3.109   8.420
  877    HG3  GLU 110           3HG      GLU 110  19.849  -1.481   7.805
  878    H    VAL 111           H        VAL 111  20.874  -5.519   5.013
  879    HA   VAL 111           HA       VAL 111  21.015  -6.674   3.091
  880    HB   VAL 111           HB       VAL 111  19.756  -4.369   1.600
  881   HG11  VAL 111          1HG1      VAL 111  20.217  -6.502   0.356
  882   HG12  VAL 111          2HG1      VAL 111  19.281  -7.393   1.569
  883   HG13  VAL 111          3HG1      VAL 111  18.490  -6.194   0.524
  884   HG21  VAL 111          3HG2      VAL 111  18.378  -6.205   3.609
  885   HG22  VAL 111          1HG2      VAL 111  18.503  -4.432   3.696
  886   HG23  VAL 111          2HG2      VAL 111  17.544  -5.175   2.424
  887    H    ASP 112           H        ASP 112  23.393  -5.623   3.710
  888    HA   ASP 112           HA       ASP 112  24.736  -4.401   1.415
  889    HB2  ASP 112           2HB      ASP 112  25.363  -3.833   3.709
  890    HB3  ASP 112           3HB      ASP 112  25.796  -5.508   4.036
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -2.802  13.077  27.923
    2    H2   GLY   1           H2       GLY   1  -1.854  14.296  28.467
    3    H3   GLY   1           H3       GLY   1  -1.701  12.794  29.105
    4    HA2  GLY   1           2HA      GLY   1   0.124  13.239  27.601
    5    HA3  GLY   1           3HA      GLY   1  -0.894  11.904  27.030
    6    H    SER   2           H        SER   2   0.855  13.685  25.474
    7    HA   SER   2           HA       SER   2  -0.837  15.454  23.891
    8    HB2  SER   2           2HB      SER   2   1.201  15.686  22.492
    9    HB3  SER   2           3HB      SER   2   1.461  16.049  24.205
   10    HG   SER   2           HG       SER   2   3.124  14.718  23.332
   11    H    LYS   3           H        LYS   3  -1.146  15.246  21.597
   12    HA   LYS   3           HA       LYS   3  -1.637  12.436  20.667
   13    HB2  LYS   3           2HB      LYS   3  -3.146  15.025  20.203
   14    HB3  LYS   3           3HB      LYS   3  -3.188  13.747  19.006
   15    HG2  LYS   3           2HG      LYS   3  -5.116  13.526  20.387
   16    HG3  LYS   3           3HG      LYS   3  -4.066  12.137  20.607
   17    HD2  LYS   3           2HD      LYS   3  -5.083  12.804  22.707
   18    HD3  LYS   3           3HD      LYS   3  -3.335  12.998  22.800
   19    HE2  LYS   3           2HE      LYS   3  -3.588  15.444  22.388
   20    HE3  LYS   3           3HE      LYS   3  -5.337  15.238  22.237
   21    HZ1  LYS   3           3HZ      LYS   3  -5.390  14.495  24.551
   22    HZ2  LYS   3           1HZ      LYS   3  -3.767  14.651  24.699
   23    HZ3  LYS   3           2HZ      LYS   3  -4.706  15.973  24.471
   24    H    ALA   4           H        ALA   4  -1.129  11.842  18.607
   25    HA   ALA   4           HA       ALA   4   0.365  13.602  16.794
   26    HB1  ALA   4           1HB      ALA   4   2.119  12.782  18.349
   27    HB2  ALA   4           2HB      ALA   4   1.626  11.105  18.025
   28    HB3  ALA   4           3HB      ALA   4   2.332  12.096  16.730
   29    H    GLU   5           H        GLU   5   0.879  12.458  14.728
   30    HA   GLU   5           HA       GLU   5  -0.891  10.132  14.108
   31    HB2  GLU   5           2HB      GLU   5  -0.624  12.675  12.457
   32    HB3  GLU   5           3HB      GLU   5  -1.391  11.179  11.909
   33    HG2  GLU   5           2HG      GLU   5  -3.032  11.343  13.779
   34    HG3  GLU   5           3HG      GLU   5  -2.310  12.877  14.270
   35    H    LYS   6           H        LYS   6  -0.074   8.639  12.733
   36    HA   LYS   6           HA       LYS   6   2.815   8.612  12.327
   37    HB2  LYS   6           2HB      LYS   6   1.326   6.654  13.047
   38    HB3  LYS   6           3HB      LYS   6   0.689   6.626  11.406
   39    HG2  LYS   6           2HG      LYS   6   2.310   4.956  11.412
   40    HG3  LYS   6           3HG      LYS   6   3.134   6.298  10.621
   41    HD2  LYS   6           2HD      LYS   6   4.127   6.876  12.930
   42    HD3  LYS   6           3HD      LYS   6   3.450   5.354  13.508
   43    HE2  LYS   6           2HE      LYS   6   5.573   5.775  11.367
   44    HE3  LYS   6           3HE      LYS   6   5.789   5.044  12.960
   45    HZ1  LYS   6           3HZ      LYS   6   4.253   3.930  10.688
   46    HZ2  LYS   6           1HZ      LYS   6   5.662   3.374  11.240
   47    HZ3  LYS   6           2HZ      LYS   6   4.296   3.212  12.182
   48    H    THR   7           H        THR   7   0.011   8.859  10.220
   49    HA   THR   7           HA       THR   7   1.435   8.300   7.802
   50    HB   THR   7           HB       THR   7  -1.359   9.427   8.041
   51    HG1  THR   7           1HG      THR   7  -2.060   7.559   8.732
   52   HG21  THR   7          1HG2      THR   7  -0.593   7.154   6.221
   53   HG22  THR   7          2HG2      THR   7  -1.868   8.386   6.040
   54   HG23  THR   7          3HG2      THR   7  -0.197   8.768   5.713
   55    H    LEU   8           H        LEU   8   1.858   9.612   5.975
   56    HA   LEU   8           HA       LEU   8   1.962  12.498   6.330
   57    HB2  LEU   8           2HB      LEU   8   2.978  12.651   4.333
   58    HB3  LEU   8           3HB      LEU   8   3.387  10.999   4.755
   59    HG   LEU   8           HG       LEU   8   1.194  11.895   2.815
   60   HD11  LEU   8          1HD1      LEU   8   3.811  10.487   2.243
   61   HD12  LEU   8          2HD1      LEU   8   2.597  11.015   1.066
   62   HD13  LEU   8          3HD1      LEU   8   3.511  12.220   1.989
   63   HD21  LEU   8          3HD2      LEU   8   2.151   9.117   3.586
   64   HD22  LEU   8          1HD2      LEU   8   0.530   9.758   3.820
   65   HD23  LEU   8          2HD2      LEU   8   1.111   9.473   2.184
   66    H    GLY   9           H        GLY   9  -0.722  10.521   5.613
   67    HA2  GLY   9           2HA      GLY   9  -2.942  11.240   5.534
   68    HA3  GLY   9           3HA      GLY   9  -2.437  12.852   5.050
   69    H    ASP  10           H        ASP  10  -1.201  10.116   3.150
   70    HA   ASP  10           HA       ASP  10  -3.124  10.758   0.972
   71    HB2  ASP  10           2HB      ASP  10  -0.391  11.597   1.142
   72    HB3  ASP  10           3HB      ASP  10  -0.444  10.290  -0.038
   73    H    PHE  11           H        PHE  11  -1.440   8.185   2.620
   74    HA   PHE  11           HA       PHE  11  -2.680   6.271   0.805
   75    HB2  PHE  11           2HB      PHE  11  -0.399   5.052   0.531
   76    HB3  PHE  11           3HB      PHE  11  -0.881   6.323  -0.526
   77    HD1  PHE  11           HD1      PHE  11   1.124   6.127   2.715
   78    HD2  PHE  11           HD2      PHE  11   0.719   7.732  -1.271
   79    HE1  PHE  11           HE1      PHE  11   3.407   7.059   2.849
   80    HE2  PHE  11           HE2      PHE  11   2.967   8.752  -1.083
   81    HZ   PHE  11           HZ       PHE  11   4.323   8.389   0.966
   82    H    ALA  12           H        ALA  12  -2.639   4.073   1.505
   83    HA   ALA  12           HA       ALA  12  -2.577   3.787   4.475
   84    HB1  ALA  12           1HB      ALA  12  -4.817   4.508   3.569
   85    HB2  ALA  12           2HB      ALA  12  -4.857   3.013   2.628
   86    HB3  ALA  12           3HB      ALA  12  -4.844   2.931   4.396
   87    H    ALA  13           H        ALA  13  -2.710   1.612   5.294
   88    HA   ALA  13           HA       ALA  13  -2.071  -0.612   3.426
   89    HB1  ALA  13           1HB      ALA  13  -0.553   0.121   5.975
   90    HB2  ALA  13           2HB      ALA  13  -0.221  -1.259   4.896
   91    HB3  ALA  13           3HB      ALA  13   0.019   0.404   4.321
   92    H    GLU  14           H        GLU  14  -3.020  -2.525   3.950
   93    HA   GLU  14           HA       GLU  14  -4.167  -3.037   6.645
   94    HB2  GLU  14           2HB      GLU  14  -5.776  -3.250   4.061
   95    HB3  GLU  14           3HB      GLU  14  -6.314  -3.689   5.685
   96    HG2  GLU  14           2HG      GLU  14  -6.110  -1.279   6.349
   97    HG3  GLU  14           3HG      GLU  14  -5.834  -0.887   4.641
   98    H    TYR  15           H        TYR  15  -4.889  -5.368   6.819
   99    HA   TYR  15           HA       TYR  15  -3.926  -7.201   4.688
  100    HB2  TYR  15           2HB      TYR  15  -5.813  -7.769   6.981
  101    HB3  TYR  15           3HB      TYR  15  -5.056  -8.942   5.913
  102    HD1  TYR  15           HD2      TYR  15  -2.174  -7.685   5.994
  103    HD2  TYR  15           HD1      TYR  15  -5.085  -8.660   9.036
  104    HE1  TYR  15           HE2      TYR  15  -0.345  -8.060   7.632
  105    HE2  TYR  15           HE1      TYR  15  -3.259  -9.005  10.670
  106    HH   TYR  15           HH       TYR  15  -1.033  -9.081  11.004
  107    H    ALA  16           H        ALA  16  -5.174  -7.918   3.066
  108    HA   ALA  16           HA       ALA  16  -7.483  -6.527   2.200
  109    HB1  ALA  16           1HB      ALA  16  -6.365  -9.233   1.481
  110    HB2  ALA  16           2HB      ALA  16  -7.563  -8.342   0.506
  111    HB3  ALA  16           3HB      ALA  16  -5.920  -7.692   0.732
  112    H    LYS  17           H        LYS  17  -9.400  -6.509   3.155
  113    HA   LYS  17           HA       LYS  17 -10.277  -8.510   5.039
  114    HB2  LYS  17           2HB      LYS  17 -11.838  -6.183   3.836
  115    HB3  LYS  17           3HB      LYS  17 -12.218  -7.037   5.328
  116    HG2  LYS  17           2HG      LYS  17  -9.775  -5.272   4.846
  117    HG3  LYS  17           3HG      LYS  17 -11.216  -4.850   5.764
  118    HD2  LYS  17           2HD      LYS  17 -10.724  -6.630   7.409
  119    HD3  LYS  17           3HD      LYS  17  -9.258  -7.074   6.502
  120    HE2  LYS  17           2HE      LYS  17  -8.312  -4.846   6.835
  121    HE3  LYS  17           3HE      LYS  17  -9.791  -4.296   7.635
  122    HZ1  LYS  17           3HZ      LYS  17  -9.370  -5.911   9.406
  123    HZ2  LYS  17           1HZ      LYS  17  -8.007  -6.436   8.675
  124    HZ3  LYS  17           2HZ      LYS  17  -8.091  -4.912   9.259
  125    H    SER  18           H        SER  18 -10.889  -8.165   1.660
  126    HA   SER  18           HA       SER  18 -12.368 -10.691   1.650
  127    HB2  SER  18           2HB      SER  18 -14.128  -8.879   1.838
  128    HB3  SER  18           3HB      SER  18 -13.596  -8.291   0.246
  129    HG   SER  18           HG       SER  18 -15.373  -9.863   0.249
  130    H    ASN  19           H        ASN  19 -12.518 -11.590  -0.529
  131    HA   ASN  19           HA       ASN  19 -10.064 -11.077  -2.072
  132    HB2  ASN  19           2HB      ASN  19 -11.122 -13.372  -1.284
  133    HB3  ASN  19           3HB      ASN  19 -12.135 -13.202  -2.705
  134   HD21  ASN  19          2HD2      ASN  19  -9.235 -14.507  -1.602
  135   HD22  ASN  19          1HD2      ASN  19  -8.324 -14.465  -3.117
  136    H    ARG  20           H        ARG  20 -11.437  -8.872  -2.309
  137    HA   ARG  20           HA       ARG  20 -12.909  -8.870  -4.924
  138    HB2  ARG  20           2HB      ARG  20 -13.853  -7.711  -2.264
  139    HB3  ARG  20           3HB      ARG  20 -14.641  -7.406  -3.807
  140    HG2  ARG  20           2HG      ARG  20 -14.373 -10.153  -2.510
  141    HG3  ARG  20           3HG      ARG  20 -15.801  -9.123  -2.470
  142    HD2  ARG  20           2HD      ARG  20 -16.008  -9.230  -4.911
  143    HD3  ARG  20           3HD      ARG  20 -14.557 -10.217  -5.032
  144    HE   ARG  20           HE       ARG  20 -17.215 -11.047  -4.031
  145   HH11  ARG  20          1HH2      ARG  20 -13.871 -12.077  -4.506
  146   HH12  ARG  20          2HH2      ARG  20 -14.325 -13.762  -4.472
  147   HH21  ARG  20          1HH1      ARG  20 -17.667 -13.206  -3.938
  148   HH22  ARG  20          2HH1      ARG  20 -16.393 -14.376  -4.113
  149    H    SER  21           H        SER  21 -10.726  -7.098  -2.855
  150    HA   SER  21           HA       SER  21 -10.833  -4.658  -4.472
  151    HB2  SER  21           2HB      SER  21  -8.514  -4.307  -3.359
  152    HB3  SER  21           3HB      SER  21  -9.985  -4.195  -2.395
  153    HG   SER  21           HG       SER  21  -8.358  -6.533  -2.561
  154    H    THR  22           H        THR  22  -9.092  -3.976  -5.922
  155    HA   THR  22           HA       THR  22  -7.637  -6.193  -7.295
  156    HB   THR  22           HB       THR  22  -9.250  -4.069  -8.720
  157    HG1  THR  22           1HG      THR  22 -10.627  -5.763  -9.284
  158   HG21  THR  22          1HG2      THR  22  -8.836  -5.367 -10.756
  159   HG22  THR  22          2HG2      THR  22  -7.296  -4.890 -10.040
  160   HG23  THR  22          3HG2      THR  22  -7.892  -6.554  -9.841
  161    H    CYS  23           HN       CYS  23  -5.633  -5.677  -7.896
  162    HA   CYS  23           HA       CYS  23  -4.497  -3.222  -6.930
  163    HB2  CYS  23           2HB      CYS  23  -3.315  -5.266  -6.674
  164    HB3  CYS  23           3HB      CYS  23  -3.563  -5.688  -8.367
  165    H    LYS  24           H        LYS  24  -4.664  -1.360  -8.046
  166    HA   LYS  24           HA       LYS  24  -4.885  -1.234 -10.973
  167    HB2  LYS  24           2HB      LYS  24  -4.916   0.666  -8.674
  168    HB3  LYS  24           3HB      LYS  24  -4.243   1.308 -10.165
  169    HG2  LYS  24           2HG      LYS  24  -6.606   1.766 -10.159
  170    HG3  LYS  24           3HG      LYS  24  -6.209   0.633 -11.436
  171    HD2  LYS  24           2HD      LYS  24  -8.264  -0.094 -10.505
  172    HD3  LYS  24           3HD      LYS  24  -7.062  -1.241  -9.913
  173    HE2  LYS  24           2HE      LYS  24  -6.935   0.115  -7.772
  174    HE3  LYS  24           3HE      LYS  24  -8.238   1.141  -8.413
  175    HZ1  LYS  24           3HZ      LYS  24  -9.590  -0.954  -8.575
  176    HZ2  LYS  24           1HZ      LYS  24  -8.392  -1.735  -7.748
  177    HZ3  LYS  24           2HZ      LYS  24  -9.238  -0.524  -7.041
  178    H    GLY  25           H        GLY  25  -2.238  -1.860  -9.002
  179    HA2  GLY  25           2HA      GLY  25  -0.186  -0.506 -10.581
  180    HA3  GLY  25           3HA      GLY  25   0.045  -1.748  -9.351
  181    H    CYS  26           HN       CYS  26  -1.700  -3.700 -10.710
  182    HA   CYS  26           HA       CYS  26  -0.321  -4.164 -13.300
  183    HB2  CYS  26           2HB      CYS  26   0.225  -6.437 -12.803
  184    HB3  CYS  26           3HB      CYS  26   0.956  -5.387 -11.589
  185    H    MET  27           H        MET  27  -3.289  -4.003 -11.825
  186    HA   MET  27           HA       MET  27  -5.370  -4.512 -12.362
  187    HB2  MET  27           2HB      MET  27  -4.540  -3.609 -14.643
  188    HB3  MET  27           3HB      MET  27  -4.590  -5.288 -15.167
  189    HG2  MET  27           2HG      MET  27  -6.705  -4.768 -15.741
  190    HG3  MET  27           3HG      MET  27  -7.066  -5.114 -14.059
  191    HE1  MET  27           3HE      MET  27  -7.274  -3.106 -12.172
  192    HE2  MET  27           1HE      MET  27  -5.754  -2.333 -12.692
  193    HE3  MET  27           2HE      MET  27  -7.249  -1.380 -12.598
  194    H    GLU  28           H        GLU  28  -4.318  -6.325 -10.830
  195    HA   GLU  28           HA       GLU  28  -5.765  -8.776 -11.681
  196    HB2  GLU  28           2HB      GLU  28  -3.019  -8.832 -10.367
  197    HB3  GLU  28           3HB      GLU  28  -4.122 -10.199 -10.502
  198    HG2  GLU  28           2HG      GLU  28  -4.101  -9.870 -13.023
  199    HG3  GLU  28           3HG      GLU  28  -2.796  -8.701 -12.788
  200    H    LYS  29           H        LYS  29  -6.706  -9.966  -9.967
  201    HA   LYS  29           HA       LYS  29  -7.711  -8.152  -7.968
  202    HB2  LYS  29           2HB      LYS  29  -9.268  -9.879  -7.355
  203    HB3  LYS  29           3HB      LYS  29  -9.192  -9.644  -9.087
  204    HG2  LYS  29           2HG      LYS  29  -9.237 -11.896  -9.095
  205    HG3  LYS  29           3HG      LYS  29  -7.487 -11.721  -8.987
  206    HD2  LYS  29           2HD      LYS  29  -7.623 -12.083  -6.515
  207    HD3  LYS  29           3HD      LYS  29  -9.392 -12.149  -6.642
  208    HE2  LYS  29           2HE      LYS  29  -9.183 -14.092  -8.194
  209    HE3  LYS  29           3HE      LYS  29  -7.426 -14.071  -7.971
  210    HZ1  LYS  29           3HZ      LYS  29  -8.625 -15.657  -6.477
  211    HZ2  LYS  29           1HZ      LYS  29  -7.747 -14.561  -5.629
  212    HZ3  LYS  29           2HZ      LYS  29  -9.350 -14.373  -5.733
  213    H    ILE  30           H        ILE  30  -7.376  -7.940  -5.900
  214    HA   ILE  30           HA       ILE  30  -4.934  -9.066  -4.776
  215    HB   ILE  30           HB       ILE  30  -6.966  -7.021  -3.883
  216   HG12  ILE  30          2HG1      ILE  30  -3.982  -6.708  -4.414
  217   HG13  ILE  30          3HG1      ILE  30  -5.170  -6.590  -5.702
  218   HG21  ILE  30          1HG2      ILE  30  -5.647  -6.504  -1.934
  219   HG22  ILE  30          2HG2      ILE  30  -6.172  -8.173  -1.821
  220   HG23  ILE  30          3HG2      ILE  30  -4.495  -7.812  -2.298
  221   HD11  ILE  30          3HD1      ILE  30  -4.583  -4.379  -4.959
  222   HD12  ILE  30          1HD1      ILE  30  -6.274  -4.701  -4.556
  223   HD13  ILE  30          2HD1      ILE  30  -5.022  -4.753  -3.285
  224    H    GLU  31           H        GLU  31  -4.715 -10.683  -3.401
  225    HA   GLU  31           HA       GLU  31  -6.923 -12.461  -2.808
  226    HB2  GLU  31           2HB      GLU  31  -3.985 -12.432  -2.028
  227    HB3  GLU  31           3HB      GLU  31  -5.087 -13.715  -1.539
  228    HG2  GLU  31           2HG      GLU  31  -4.618 -13.008  -4.463
  229    HG3  GLU  31           3HG      GLU  31  -3.594 -14.120  -3.562
  230    H    LYS  32           H        LYS  32  -7.938 -12.844  -0.957
  231    HA   LYS  32           HA       LYS  32  -8.036 -10.960   1.220
  232    HB2  LYS  32           2HB      LYS  32  -9.908 -12.444   0.499
  233    HB3  LYS  32           3HB      LYS  32  -9.033 -13.839   1.135
  234    HG2  LYS  32           2HG      LYS  32  -9.145 -12.851   3.420
  235    HG3  LYS  32           3HG      LYS  32  -9.995 -11.439   2.760
  236    HD2  LYS  32           2HD      LYS  32 -11.854 -12.906   2.045
  237    HD3  LYS  32           3HD      LYS  32 -10.977 -14.321   2.666
  238    HE2  LYS  32           2HE      LYS  32 -11.009 -13.350   4.946
  239    HE3  LYS  32           3HE      LYS  32 -11.867 -11.929   4.342
  240    HZ1  LYS  32           3HZ      LYS  32 -13.721 -13.389   3.728
  241    HZ2  LYS  32           1HZ      LYS  32 -12.926 -14.707   4.282
  242    HZ3  LYS  32           2HZ      LYS  32 -13.397 -13.540   5.318
  243    H    GLY  33           H        GLY  33  -7.332 -11.100   3.331
  244    HA2  GLY  33           2HA      GLY  33  -6.193 -11.804   5.200
  245    HA3  GLY  33           3HA      GLY  33  -6.017 -13.393   4.455
  246    H    GLN  34           H        GLN  34  -4.645 -10.980   2.499
  247    HA   GLN  34           HA       GLN  34  -1.990 -11.019   3.818
  248    HB2  GLN  34           2HB      GLN  34  -0.833 -11.381   1.726
  249    HB3  GLN  34           3HB      GLN  34  -1.883 -12.725   2.122
  250    HG2  GLN  34           2HG      GLN  34  -2.090 -12.445  -0.209
  251    HG3  GLN  34           3HG      GLN  34  -3.580 -11.810   0.460
  252   HE21  GLN  34          1HE2      GLN  34  -4.133  -9.662  -0.187
  253   HE22  GLN  34          2HE2      GLN  34  -2.900  -8.505  -0.719
  254    H    VAL  35           H        VAL  35  -0.547  -9.214   2.769
  255    HA   VAL  35           HA       VAL  35  -1.906  -6.839   3.519
  256    HB   VAL  35           HB       VAL  35   0.822  -7.252   2.277
  257   HG11  VAL  35          1HG1      VAL  35  -0.335  -4.712   3.511
  258   HG12  VAL  35          2HG1      VAL  35   1.384  -4.995   3.168
  259   HG13  VAL  35          3HG1      VAL  35   0.238  -4.920   1.837
  260   HG21  VAL  35          3HG2      VAL  35   1.598  -6.868   4.584
  261   HG22  VAL  35          1HG2      VAL  35  -0.077  -6.677   5.138
  262   HG23  VAL  35          2HG2      VAL  35   0.498  -8.245   4.533
  263    H    ARG  36           H        ARG  36  -2.690  -5.095   2.505
  264    HA   ARG  36           HA       ARG  36  -2.267  -4.711  -0.392
  265    HB2  ARG  36           2HB      ARG  36  -4.540  -4.142  -0.873
  266    HB3  ARG  36           3HB      ARG  36  -4.456  -5.790  -0.241
  267    HG2  ARG  36           2HG      ARG  36  -5.350  -5.087   1.913
  268    HG3  ARG  36           3HG      ARG  36  -5.272  -3.390   1.443
  269    HD2  ARG  36           2HD      ARG  36  -6.887  -3.861  -0.427
  270    HD3  ARG  36           3HD      ARG  36  -7.060  -5.506   0.194
  271    HE   ARG  36           HE       ARG  36  -7.527  -3.369   2.178
  272   HH11  ARG  36          1HH2      ARG  36  -9.231  -5.226  -0.304
  273   HH12  ARG  36          2HH2      ARG  36 -10.762  -4.899   0.457
  274   HH21  ARG  36          1HH1      ARG  36  -9.410  -3.031   3.024
  275   HH22  ARG  36          2HH1      ARG  36 -10.888  -3.638   2.287
  276    H    LEU  37           H        LEU  37  -2.055  -2.591  -1.012
  277    HA   LEU  37           HA       LEU  37  -2.197  -0.514   1.123
  278    HB2  LEU  37           2HB      LEU  37  -0.317  -0.439  -1.254
  279    HB3  LEU  37           3HB      LEU  37  -0.375   0.612   0.179
  280    HG   LEU  37           HG       LEU  37   1.540  -0.566   0.405
  281   HD11  LEU  37          1HD1      LEU  37   1.366  -1.686   2.465
  282   HD12  LEU  37          2HD1      LEU  37   0.066  -0.477   2.390
  283   HD13  LEU  37          3HD1      LEU  37  -0.308  -2.194   2.159
  284   HD21  LEU  37          3HD2      LEU  37   1.866  -2.925   0.318
  285   HD22  LEU  37          1HD2      LEU  37   0.158  -3.249   0.003
  286   HD23  LEU  37          2HD2      LEU  37   1.131  -2.389  -1.212
  287    H    SER  38           H        SER  38  -2.786   1.652   0.401
  288    HA   SER  38           HA       SER  38  -3.692   1.891  -2.381
  289    HB2  SER  38           2HB      SER  38  -5.864   2.876  -1.808
  290    HB3  SER  38           3HB      SER  38  -5.740   1.209  -1.255
  291    HG   SER  38           HG       SER  38  -6.579   2.379   0.423
  292    H    LYS  39           H        LYS  39  -4.131   4.020  -3.094
  293    HA   LYS  39           HA       LYS  39  -2.814   6.248  -1.549
  294    HB2  LYS  39           2HB      LYS  39  -1.451   5.678  -3.477
  295    HB3  LYS  39           3HB      LYS  39  -2.874   5.558  -4.497
  296    HG2  LYS  39           2HG      LYS  39  -2.027   7.493  -5.233
  297    HG3  LYS  39           3HG      LYS  39  -3.190   8.112  -4.078
  298    HD2  LYS  39           2HD      LYS  39  -1.392   8.604  -2.487
  299    HD3  LYS  39           3HD      LYS  39  -0.200   7.847  -3.581
  300    HE2  LYS  39           2HE      LYS  39  -0.841   9.435  -5.378
  301    HE3  LYS  39           3HE      LYS  39  -2.019  10.198  -4.296
  302    HZ1  LYS  39           3HZ      LYS  39   0.900  10.131  -3.786
  303    HZ2  LYS  39           1HZ      LYS  39   0.101  11.405  -4.429
  304    HZ3  LYS  39           2HZ      LYS  39  -0.255  10.967  -2.908
  305    H    LYS  40           H        LYS  40  -4.087   7.992  -1.141
  306    HA   LYS  40           HA       LYS  40  -6.796   8.182  -2.328
  307    HB2  LYS  40           2HB      LYS  40  -6.742   8.540  -0.013
  308    HB3  LYS  40           3HB      LYS  40  -5.432   9.697  -0.105
  309    HG2  LYS  40           2HG      LYS  40  -8.114  10.206  -1.521
  310    HG3  LYS  40           3HG      LYS  40  -7.944  10.473   0.205
  311    HD2  LYS  40           2HD      LYS  40  -6.556  11.939  -2.036
  312    HD3  LYS  40           3HD      LYS  40  -7.675  12.576  -0.847
  313    HE2  LYS  40           2HE      LYS  40  -4.823  11.641  -0.317
  314    HE3  LYS  40           3HE      LYS  40  -5.335  13.310  -0.488
  315    HZ1  LYS  40           3HZ      LYS  40  -6.627  13.133   1.516
  316    HZ2  LYS  40           1HZ      LYS  40  -6.358  11.524   1.655
  317    HZ3  LYS  40           2HZ      LYS  40  -5.124  12.566   1.851
  318    H    MET  41           H        MET  41  -6.880   8.989  -4.314
  319    HA   MET  41           HA       MET  41  -5.830  11.657  -4.847
  320    HB2  MET  41           2HB      MET  41  -4.495  11.134  -6.806
  321    HB3  MET  41           3HB      MET  41  -3.796  10.397  -5.373
  322    HG2  MET  41           2HG      MET  41  -4.780   8.209  -6.020
  323    HG3  MET  41           3HG      MET  41  -5.470   8.956  -7.465
  324    HE1  MET  41           3HE      MET  41  -4.421   7.158  -8.999
  325    HE2  MET  41           1HE      MET  41  -2.718   6.640  -8.898
  326    HE3  MET  41           2HE      MET  41  -3.816   6.386  -7.516
  327    H    VAL  42           H        VAL  42  -6.927  12.702  -6.577
  328    HA   VAL  42           HA       VAL  42  -9.166  11.571  -7.831
  329    HB   VAL  42           HB       VAL  42  -7.230  13.616  -8.991
  330   HG11  VAL  42          1HG1      VAL  42  -9.181  14.335 -10.377
  331   HG12  VAL  42          2HG1      VAL  42  -8.616  12.717 -10.783
  332   HG13  VAL  42          3HG1      VAL  42 -10.087  12.921  -9.796
  333   HG21  VAL  42          3HG2      VAL  42  -8.192  14.421  -6.878
  334   HG22  VAL  42          1HG2      VAL  42  -8.892  15.296  -8.236
  335   HG23  VAL  42          2HG2      VAL  42  -9.828  14.014  -7.445
  336    H    ASP  43           H        ASP  43  -9.396  10.007  -9.340
  337    HA   ASP  43           HA       ASP  43  -7.147   8.433 -10.121
  338    HB2  ASP  43           2HB      ASP  43  -9.462   7.601  -9.756
  339    HB3  ASP  43           3HB      ASP  43  -9.962   8.404 -11.242
  340    HA   PRO  44           HA       PRO  44  -5.976  11.071 -13.526
  341    HB2  PRO  44           2HB      PRO  44  -3.862   9.635 -14.558
  342    HB3  PRO  44           3HB      PRO  44  -3.791  10.504 -12.994
  343    HG2  PRO  44           2HG      PRO  44  -4.415   7.561 -13.452
  344    HG3  PRO  44           3HG      PRO  44  -3.222   8.273 -12.314
  345    HD2  PRO  44           2HD      PRO  44  -5.687   7.538 -11.505
  346    HD3  PRO  44           3HD      PRO  44  -4.921   9.027 -10.867
  347    H    GLU  45           H        GLU  45  -7.243   7.886 -13.953
  348    HA   GLU  45           HA       GLU  45  -7.530   8.160 -16.919
  349    HB2  GLU  45           2HB      GLU  45  -7.975   5.791 -15.058
  350    HB3  GLU  45           3HB      GLU  45  -8.137   5.768 -16.809
  351    HG2  GLU  45           2HG      GLU  45  -5.781   6.087 -17.143
  352    HG3  GLU  45           3HG      GLU  45  -5.501   6.484 -15.451
  353    H    LYS  46           H        LYS  46  -9.180   8.686 -14.007
  354    HA   LYS  46           HA       LYS  46 -11.863   8.914 -15.260
  355    HB2  LYS  46           2HB      LYS  46 -11.209   7.194 -12.841
  356    HB3  LYS  46           3HB      LYS  46 -12.844   7.709 -13.271
  357    HG2  LYS  46           2HG      LYS  46 -12.703   6.507 -15.401
  358    HG3  LYS  46           3HG      LYS  46 -11.083   5.913 -14.981
  359    HD2  LYS  46           2HD      LYS  46 -13.520   5.498 -13.201
  360    HD3  LYS  46           3HD      LYS  46 -13.048   4.350 -14.476
  361    HE2  LYS  46           2HE      LYS  46 -10.785   4.139 -13.408
  362    HE3  LYS  46           3HE      LYS  46 -11.324   5.183 -12.092
  363    HZ1  LYS  46           3HZ      LYS  46 -12.514   2.550 -12.791
  364    HZ2  LYS  46           1HZ      LYS  46 -11.563   2.851 -11.500
  365    HZ3  LYS  46           2HZ      LYS  46 -13.053   3.515 -11.588
  366    HA   PRO  47           HA       PRO  47 -10.451  12.171 -12.135
  367    HB2  PRO  47           2HB      PRO  47 -10.830  14.436 -13.697
  368    HB3  PRO  47           3HB      PRO  47  -9.313  13.496 -13.586
  369    HG2  PRO  47           2HG      PRO  47 -11.499  13.264 -15.679
  370    HG3  PRO  47           3HG      PRO  47  -9.721  13.361 -15.929
  371    HD2  PRO  47           2HD      PRO  47 -10.997  10.993 -15.979
  372    HD3  PRO  47           3HD      PRO  47  -9.399  11.151 -15.186
  373    H    GLN  48           H        GLN  48 -13.332  11.715 -14.037
  374    HA   GLN  48           HA       GLN  48 -15.095  13.580 -12.765
  375    HB2  GLN  48           2HB      GLN  48 -15.619  10.908 -14.133
  376    HB3  GLN  48           3HB      GLN  48 -16.874  12.054 -13.638
  377    HG2  GLN  48           2HG      GLN  48 -15.876  13.794 -15.109
  378    HG3  GLN  48           3HG      GLN  48 -14.663  12.637 -15.661
  379   HE21  GLN  48          2HE2      GLN  48 -15.978  13.666 -17.699
  380   HE22  GLN  48          1HE2      GLN  48 -17.233  12.580 -18.283
  381    H    LEU  49           H        LEU  49 -13.813  10.489 -11.576
  382    HA   LEU  49           HA       LEU  49 -15.725   9.949  -9.516
  383    HB2  LEU  49           2HB      LEU  49 -12.718   9.578  -9.847
  384    HB3  LEU  49           3HB      LEU  49 -13.516   9.069  -8.379
  385    HG   LEU  49           HG       LEU  49 -14.394   8.010 -11.088
  386   HD11  LEU  49          1HD1      LEU  49 -12.343   6.968  -9.091
  387   HD12  LEU  49          2HD1      LEU  49 -12.995   6.029 -10.462
  388   HD13  LEU  49          3HD1      LEU  49 -12.042   7.503 -10.742
  389   HD21  LEU  49          3HD2      LEU  49 -14.736   7.072  -8.195
  390   HD22  LEU  49          1HD2      LEU  49 -16.011   7.757  -9.220
  391   HD23  LEU  49          2HD2      LEU  49 -15.299   6.188  -9.637
  392    H    GLY  50           H        GLY  50 -13.210  12.438  -9.667
  393    HA2  GLY  50           2HA      GLY  50 -12.223  13.759  -8.016
  394    HA3  GLY  50           3HA      GLY  50 -13.462  13.266  -6.857
  395    H    MET  51           H        MET  51 -11.781  12.858  -5.325
  396    HA   MET  51           HA       MET  51  -9.583  11.164  -5.740
  397    HB2  MET  51           2HB      MET  51 -10.622  11.852  -2.998
  398    HB3  MET  51           3HB      MET  51  -8.966  11.624  -3.549
  399    HG2  MET  51           2HG      MET  51  -9.505  13.763  -5.045
  400    HG3  MET  51           3HG      MET  51 -10.817  13.994  -3.893
  401    HE1  MET  51           3HE      MET  51  -7.132  13.062  -4.136
  402    HE2  MET  51           1HE      MET  51  -7.184  14.718  -4.766
  403    HE3  MET  51           2HE      MET  51  -6.297  14.375  -3.260
  404    H    ILE  52           H        ILE  52  -9.284   9.035  -5.450
  405    HA   ILE  52           HA       ILE  52 -11.277   7.511  -3.851
  406    HB   ILE  52           HB       ILE  52 -10.818   5.545  -5.332
  407   HG12  ILE  52          2HG1      ILE  52  -9.862   7.487  -7.460
  408   HG13  ILE  52          3HG1      ILE  52  -8.710   6.688  -6.395
  409   HG21  ILE  52          1HG2      ILE  52 -12.463   6.135  -6.973
  410   HG22  ILE  52          2HG2      ILE  52 -12.871   6.871  -5.414
  411   HG23  ILE  52          3HG2      ILE  52 -12.166   7.876  -6.713
  412   HD11  ILE  52          3HD1      ILE  52  -9.571   4.475  -7.046
  413   HD12  ILE  52          1HD1      ILE  52 -10.670   5.255  -8.216
  414   HD13  ILE  52          2HD1      ILE  52  -8.911   5.404  -8.403
  415    H    ASP  53           H        ASP  53 -10.523   5.562  -2.984
  416    HA   ASP  53           HA       ASP  53  -7.671   5.583  -2.113
  417    HB2  ASP  53           2HB      ASP  53 -10.058   3.940  -1.182
  418    HB3  ASP  53           3HB      ASP  53  -8.409   3.752  -0.591
  419    H    ARG  54           H        ARG  54  -6.830   5.070  -4.190
  420    HA   ARG  54           HA       ARG  54  -7.779   2.770  -5.722
  421    HB2  ARG  54           2HB      ARG  54  -6.801   5.011  -6.542
  422    HB3  ARG  54           3HB      ARG  54  -5.209   4.316  -6.188
  423    HG2  ARG  54           2HG      ARG  54  -5.381   2.720  -7.870
  424    HG3  ARG  54           3HG      ARG  54  -7.145   2.841  -7.963
  425    HD2  ARG  54           2HD      ARG  54  -7.133   4.520  -9.421
  426    HD3  ARG  54           3HD      ARG  54  -5.899   5.424  -8.564
  427    HE   ARG  54           HE       ARG  54  -4.218   3.822  -9.644
  428   HH11  ARG  54          1HH2      ARG  54  -7.193   4.748 -11.446
  429   HH12  ARG  54          2HH2      ARG  54  -6.343   4.384 -12.947
  430   HH21  ARG  54          1HH1      ARG  54  -3.397   3.486 -11.731
  431   HH22  ARG  54          2HH1      ARG  54  -4.488   3.758 -13.092
  432    H    TRP  55           H        TRP  55  -7.268   0.703  -5.256
  433    HA   TRP  55           HA       TRP  55  -5.175   0.084  -3.344
  434    HB2  TRP  55           2HB      TRP  55  -7.187  -1.685  -4.760
  435    HB3  TRP  55           3HB      TRP  55  -6.058  -2.237  -3.533
  436    HD1  TRP  55           HD1      TRP  55  -9.388  -0.552  -3.898
  437    HE1  TRP  55           HE1      TRP  55 -10.376   0.030  -1.612
  438    HE3  TRP  55           HE3      TRP  55  -5.316  -1.583  -0.961
  439    HZ2  TRP  55           HZ2      TRP  55  -9.473   0.202   1.121
  440    HZ3  TRP  55           HZ3      TRP  55  -5.368  -1.059   1.472
  441    HH2  TRP  55           HH2      TRP  55  -7.435  -0.171   2.515
  442    H    TYR  56           H        TYR  56  -3.532  -1.374  -3.502
  443    HA   TYR  56           HA       TYR  56  -2.420  -2.316  -6.065
  444    HB2  TYR  56           2HB      TYR  56  -1.004  -0.538  -4.027
  445    HB3  TYR  56           3HB      TYR  56  -0.253  -1.274  -5.437
  446    HD1  TYR  56           HD2      TYR  56  -0.934  -0.556  -7.721
  447    HD2  TYR  56           HD1      TYR  56  -2.247   1.548  -4.225
  448    HE1  TYR  56           HE2      TYR  56  -1.595   1.392  -9.155
  449    HE2  TYR  56           HE1      TYR  56  -2.933   3.473  -5.636
  450    HH   TYR  56           HH       TYR  56  -3.004   4.346  -7.733
  451    H    HIS  57           H        HIS  57  -0.838  -3.937  -5.787
  452    HA   HIS  57           HA       HIS  57  -0.885  -5.619  -3.387
  453    HB2  HIS  57           2HB      HIS  57   0.852  -5.702  -5.854
  454    HB3  HIS  57           3HB      HIS  57   1.018  -6.847  -4.562
  455    HD2  HIS  57           HD2      HIS  57  -1.425  -8.229  -3.913
  456    HE1  HIS  57           HE1      HIS  57  -2.652  -8.317  -7.985
  457    HE2  HIS  57           HE2      HIS  57  -2.981  -9.372  -5.713
  458    HA   PRO  58           HA       PRO  58   2.777  -3.983  -1.234
  459    HB2  PRO  58           2HB      PRO  58   4.031  -6.284  -0.373
  460    HB3  PRO  58           3HB      PRO  58   2.581  -5.562   0.386
  461    HG2  PRO  58           2HG      PRO  58   2.687  -7.789  -1.673
  462    HG3  PRO  58           3HG      PRO  58   1.774  -7.749  -0.127
  463    HD2  PRO  58           2HD      PRO  58   0.530  -7.157  -2.415
  464    HD3  PRO  58           3HD      PRO  58   0.244  -6.134  -0.980
  465    H    GLY  59           H        GLY  59   3.275  -6.227  -3.903
  466    HA2  GLY  59           2HA      GLY  59   6.095  -5.397  -4.282
  467    HA3  GLY  59           3HA      GLY  59   5.127  -6.409  -5.356
  468    H    CYS  60           HN       CYS  60   2.944  -4.872  -5.958
  469    HA   CYS  60           HA       CYS  60   3.998  -3.274  -7.979
  470    HB2  CYS  60           2HB      CYS  60   1.137  -3.369  -6.964
  471    HB3  CYS  60           3HB      CYS  60   1.677  -2.894  -8.581
  472    H    PHE  61           H        PHE  61   2.458  -2.213  -4.893
  473    HA   PHE  61           HA       PHE  61   2.291   0.527  -5.656
  474    HB2  PHE  61           2HB      PHE  61   1.497   0.909  -3.617
  475    HB3  PHE  61           3HB      PHE  61   1.383  -0.841  -3.539
  476    HD1  PHE  61           HD2      PHE  61   3.310  -2.127  -2.479
  477    HD2  PHE  61           HD1      PHE  61   2.932   2.133  -2.173
  478    HE1  PHE  61           HE2      PHE  61   4.720  -2.168  -0.418
  479    HE2  PHE  61           HE1      PHE  61   4.329   2.113  -0.093
  480    HZ   PHE  61           HZ       PHE  61   5.211  -0.041   0.787
  481    H    VAL  62           H        VAL  62   5.028  -1.324  -4.369
  482    HA   VAL  62           HA       VAL  62   6.869   0.907  -4.221
  483    HB   VAL  62           HB       VAL  62   7.539  -2.030  -4.598
  484   HG11  VAL  62          1HG1      VAL  62   9.190   0.313  -3.555
  485   HG12  VAL  62          2HG1      VAL  62   9.684  -1.393  -3.532
  486   HG13  VAL  62          3HG1      VAL  62   9.461  -0.574  -5.073
  487   HG21  VAL  62          3HG2      VAL  62   6.223  -1.836  -2.599
  488   HG22  VAL  62          1HG2      VAL  62   7.898  -1.940  -2.091
  489   HG23  VAL  62          2HG2      VAL  62   7.075  -0.366  -2.087
  490    H    LYS  63           H        LYS  63   5.996  -1.347  -6.852
  491    HA   LYS  63           HA       LYS  63   7.992  -0.504  -8.721
  492    HB2  LYS  63           2HB      LYS  63   6.712  -2.592  -8.933
  493    HB3  LYS  63           3HB      LYS  63   5.217  -1.682  -9.141
  494    HG2  LYS  63           2HG      LYS  63   6.059  -0.738 -11.274
  495    HG3  LYS  63           3HG      LYS  63   7.559  -1.648 -11.067
  496    HD2  LYS  63           2HD      LYS  63   6.056  -2.789 -12.623
  497    HD3  LYS  63           3HD      LYS  63   6.331  -3.763 -11.188
  498    HE2  LYS  63           2HE      LYS  63   4.012  -3.913 -11.890
  499    HE3  LYS  63           3HE      LYS  63   4.109  -3.176 -10.296
  500    HZ1  LYS  63           3HZ      LYS  63   3.858  -1.565 -12.782
  501    HZ2  LYS  63           1HZ      LYS  63   2.563  -2.083 -11.939
  502    HZ3  LYS  63           2HZ      LYS  63   3.593  -1.051 -11.235
  503    H    ASN  64           H        ASN  64   4.758   0.836  -8.043
  504    HA   ASN  64           HA       ASN  64   5.309   3.087  -9.913
  505    HB2  ASN  64           2HB      ASN  64   2.660   3.378  -9.342
  506    HB3  ASN  64           3HB      ASN  64   3.363   2.662 -10.768
  507   HD21  ASN  64          1HD2      ASN  64   1.747   1.910  -7.684
  508   HD22  ASN  64          2HD2      ASN  64   1.336   0.283  -8.213
  509    H    ARG  65           H        ARG  65   6.201   2.646  -6.910
  510    HA   ARG  65           HA       ARG  65   5.108   4.550  -5.274
  511    HB2  ARG  65           2HB      ARG  65   7.180   4.550  -4.080
  512    HB3  ARG  65           3HB      ARG  65   7.005   2.962  -4.790
  513    HG2  ARG  65           2HG      ARG  65   8.493   3.779  -6.718
  514    HG3  ARG  65           3HG      ARG  65   8.785   5.242  -5.760
  515    HD2  ARG  65           2HD      ARG  65   9.779   3.972  -3.985
  516    HD3  ARG  65           3HD      ARG  65   9.376   2.433  -4.764
  517    HE   ARG  65           HE       ARG  65  11.609   4.209  -5.368
  518   HH11  ARG  65          1HH2      ARG  65   9.622   1.680  -6.818
  519   HH12  ARG  65          2HH2      ARG  65  10.883   1.251  -7.947
  520   HH21  ARG  65          1HH1      ARG  65  13.131   3.599  -6.851
  521   HH22  ARG  65          2HH1      ARG  65  12.795   2.312  -7.969
  522    H    GLU  66           H        GLU  66   7.274   5.203  -7.959
  523    HA   GLU  66           HA       GLU  66   7.605   8.015  -7.327
  524    HB2  GLU  66           2HB      GLU  66   8.923   8.065  -9.406
  525    HB3  GLU  66           3HB      GLU  66   9.435   6.817  -8.262
  526    HG2  GLU  66           2HG      GLU  66   8.348   5.071  -9.576
  527    HG3  GLU  66           3HG      GLU  66   7.670   6.268 -10.686
  528    H    GLU  67           H        GLU  67   5.325   6.181  -9.210
  529    HA   GLU  67           HA       GLU  67   4.114   8.533 -10.495
  530    HB2  GLU  67           2HB      GLU  67   4.097   6.308 -11.578
  531    HB3  GLU  67           3HB      GLU  67   3.097   5.681 -10.261
  532    HG2  GLU  67           2HG      GLU  67   1.290   7.226 -10.835
  533    HG3  GLU  67           3HG      GLU  67   2.309   8.027 -12.036
  534    H    LEU  68           H        LEU  68   3.556   6.368  -7.695
  535    HA   LEU  68           HA       LEU  68   1.286   7.846  -6.657
  536    HB2  LEU  68           2HB      LEU  68   3.154   5.843  -5.340
  537    HB3  LEU  68           3HB      LEU  68   1.634   6.410  -4.659
  538    HG   LEU  68           HG       LEU  68   1.937   4.773  -7.217
  539   HD11  LEU  68          1HD1      LEU  68   2.376   3.478  -5.183
  540   HD12  LEU  68          2HD1      LEU  68   0.845   4.043  -4.475
  541   HD13  LEU  68          3HD1      LEU  68   0.829   3.000  -5.908
  542   HD21  LEU  68          3HD2      LEU  68  -0.593   5.662  -5.804
  543   HD22  LEU  68          1HD2      LEU  68  -0.027   6.247  -7.389
  544   HD23  LEU  68          2HD2      LEU  68  -0.478   4.560  -7.190
  545    H    GLY  69           H        GLY  69   4.677   8.527  -6.491
  546    HA2  GLY  69           2HA      GLY  69   5.405  10.722  -6.068
  547    HA3  GLY  69           3HA      GLY  69   3.958  11.056  -5.123
  548    H    PHE  70           H        PHE  70   5.768   8.163  -4.353
  549    HA   PHE  70           HA       PHE  70   6.299   8.948  -1.635
  550    HB2  PHE  70           2HB      PHE  70   7.157   6.662  -3.419
  551    HB3  PHE  70           3HB      PHE  70   7.841   6.852  -1.826
  552    HD1  PHE  70           HD1      PHE  70   4.640   6.149  -3.617
  553    HD2  PHE  70           HD2      PHE  70   6.655   6.399   0.163
  554    HE1  PHE  70           HE1      PHE  70   2.828   4.815  -2.569
  555    HE2  PHE  70           HE2      PHE  70   4.873   5.045   1.225
  556    HZ   PHE  70           HZ       PHE  70   2.950   4.244  -0.157
  557    H    ARG  71           H        ARG  71   8.023   9.782  -0.664
  558    HA   ARG  71           HA       ARG  71  10.706   9.781  -1.913
  559    HB2  ARG  71           2HB      ARG  71   9.255  12.141  -0.656
  560    HB3  ARG  71           3HB      ARG  71  11.008  12.087  -0.770
  561    HG2  ARG  71           2HG      ARG  71  10.968  12.027  -3.182
  562    HG3  ARG  71           3HG      ARG  71   9.212  11.807  -3.211
  563    HD2  ARG  71           2HD      ARG  71   9.785  14.111  -3.741
  564    HD3  ARG  71           3HD      ARG  71   8.831  13.973  -2.266
  565    HE   ARG  71           HE       ARG  71  11.750  14.628  -2.436
  566   HH11  ARG  71          1HH2      ARG  71   8.809  14.679  -0.437
  567   HH12  ARG  71          2HH2      ARG  71   9.742  15.363   0.903
  568   HH21  ARG  71          1HH1      ARG  71  12.702  15.578  -0.598
  569   HH22  ARG  71          2HH1      ARG  71  11.678  15.814   0.821
  570    HA   PRO  72           HA       PRO  72  12.188   7.981   1.673
  571    HB2  PRO  72           2HB      PRO  72  14.187  10.222   2.045
  572    HB3  PRO  72           3HB      PRO  72  14.459   8.453   2.091
  573    HG2  PRO  72           2HG      PRO  72  15.065   9.837  -0.142
  574    HG3  PRO  72           3HG      PRO  72  14.169   8.286  -0.293
  575    HD2  PRO  72           2HD      PRO  72  13.070  11.111  -0.355
  576    HD3  PRO  72           3HD      PRO  72  12.710   9.733  -1.434
  577    H    GLU  73           H        GLU  73  11.491  11.439   2.290
  578    HA   GLU  73           HA       GLU  73  11.575  11.071   5.183
  579    HB2  GLU  73           2HB      GLU  73  10.970  13.321   5.402
  580    HB3  GLU  73           3HB      GLU  73  12.114  13.215   4.065
  581    HG2  GLU  73           2HG      GLU  73  10.182  13.313   2.459
  582    HG3  GLU  73           3HG      GLU  73   9.092  13.508   3.837
  583    H    TYR  74           H        TYR  74   9.307   9.986   2.983
  584    HA   TYR  74           HA       TYR  74   7.430   9.368   5.121
  585    HB2  TYR  74           2HB      TYR  74   5.447  10.235   3.811
  586    HB3  TYR  74           3HB      TYR  74   6.435  11.369   4.675
  587    HD1  TYR  74           HD1      TYR  74   6.413   9.954   1.146
  588    HD2  TYR  74           HD2      TYR  74   6.711  13.407   3.711
  589    HE1  TYR  74           HE1      TYR  74   6.550  11.436  -0.850
  590    HE2  TYR  74           HE2      TYR  74   6.893  14.876   1.711
  591    HH   TYR  74           HH       TYR  74   6.638  13.587  -1.612
  592    H    SER  75           H        SER  75   9.054   7.568   3.913
  593    HA   SER  75           HA       SER  75   7.709   6.043   1.872
  594    HB2  SER  75           2HB      SER  75   9.845   5.194   3.813
  595    HB3  SER  75           3HB      SER  75   9.379   4.369   2.313
  596    HG   SER  75           HG       SER  75  11.193   5.667   1.966
  597    H    ALA  76           H        ALA  76   7.696   3.440   2.735
  598    HA   ALA  76           HA       ALA  76   5.095   3.031   3.246
  599    HB1  ALA  76           1HB      ALA  76   5.727   0.711   3.760
  600    HB2  ALA  76           2HB      ALA  76   6.743   1.355   2.458
  601    HB3  ALA  76           3HB      ALA  76   7.393   1.212   4.108
  602    H    SER  77           H        SER  77   7.316   3.695   5.919
  603    HA   SER  77           HA       SER  77   5.705   2.543   8.009
  604    HB2  SER  77           2HB      SER  77   8.141   3.182   8.150
  605    HB3  SER  77           3HB      SER  77   7.631   4.879   8.248
  606    HG   SER  77           HG       SER  77   7.963   3.877  10.308
  607    H    GLN  78           H        GLN  78   5.403   5.545   6.164
  608    HA   GLN  78           HA       GLN  78   3.428   6.613   8.038
  609    HB2  GLN  78           2HB      GLN  78   4.741   7.925   5.644
  610    HB3  GLN  78           3HB      GLN  78   3.655   8.686   6.815
  611    HG2  GLN  78           2HG      GLN  78   5.329   8.081   8.647
  612    HG3  GLN  78           3HG      GLN  78   6.429   7.559   7.374
  613   HE21  GLN  78          2HE2      GLN  78   7.945   9.184   8.190
  614   HE22  GLN  78          1HE2      GLN  78   7.771  10.795   7.521
  615    H    LEU  79           H        LEU  79   2.845   4.266   6.307
  616    HA   LEU  79           HA       LEU  79   0.497   5.234   4.760
  617    HB2  LEU  79           2HB      LEU  79   1.600   2.479   5.443
  618    HB3  LEU  79           3HB      LEU  79   0.086   2.720   4.592
  619    HG   LEU  79           HG       LEU  79   2.627   3.870   3.420
  620   HD11  LEU  79          1HD1      LEU  79   1.717   0.998   2.952
  621   HD12  LEU  79          2HD1      LEU  79   3.074   1.831   2.183
  622   HD13  LEU  79          3HD1      LEU  79   3.127   1.434   3.907
  623   HD21  LEU  79          3HD2      LEU  79   0.262   4.225   2.526
  624   HD22  LEU  79          1HD2      LEU  79   1.457   3.631   1.363
  625   HD23  LEU  79          2HD2      LEU  79   0.260   2.528   2.065
  626    H    LYS  80           H        LYS  80  -1.550   5.273   5.557
  627    HA   LYS  80           HA       LYS  80  -2.158   5.247   8.302
  628    HB2  LYS  80           2HB      LYS  80  -4.120   4.480   6.092
  629    HB3  LYS  80           3HB      LYS  80  -4.525   4.987   7.727
  630    HG2  LYS  80           2HG      LYS  80  -3.385   7.175   7.259
  631    HG3  LYS  80           3HG      LYS  80  -3.232   6.674   5.567
  632    HD2  LYS  80           2HD      LYS  80  -5.839   7.013   7.130
  633    HD3  LYS  80           3HD      LYS  80  -5.151   8.206   6.021
  634    HE2  LYS  80           2HE      LYS  80  -5.339   6.592   4.147
  635    HE3  LYS  80           3HE      LYS  80  -6.053   5.399   5.246
  636    HZ1  LYS  80           3HZ      LYS  80  -7.910   6.924   5.606
  637    HZ2  LYS  80           1HZ      LYS  80  -7.249   8.049   4.622
  638    HZ3  LYS  80           2HZ      LYS  80  -7.756   6.624   4.009
  639    H    GLY  81           H        GLY  81  -2.349   3.706   9.808
  640    HA2  GLY  81           2HA      GLY  81  -2.815   1.682  10.818
  641    HA3  GLY  81           3HA      GLY  81  -3.482   1.096   9.297
  642    H    PHE  82           H        PHE  82  -0.237   2.042   8.673
  643    HA   PHE  82           HA       PHE  82   0.710  -0.554   8.132
  644    HB2  PHE  82           2HB      PHE  82   1.844   1.237   7.156
  645    HB3  PHE  82           3HB      PHE  82   2.003   2.126   8.663
  646    HD1  PHE  82           HD1      PHE  82   3.659   1.477  10.366
  647    HD2  PHE  82           HD2      PHE  82   3.616  -0.302   6.446
  648    HE1  PHE  82           HE1      PHE  82   5.995   0.670  10.711
  649    HE2  PHE  82           HE2      PHE  82   5.955  -1.064   6.777
  650    HZ   PHE  82           HZ       PHE  82   7.129  -0.611   8.909
  651    H    SER  83           H        SER  83   1.111   1.417  11.091
  652    HA   SER  83           HA       SER  83   2.856  -0.256  12.488
  653    HB2  SER  83           2HB      SER  83   0.715   1.619  13.547
  654    HB3  SER  83           3HB      SER  83   2.082   0.984  14.489
  655    HG   SER  83           HG       SER  83   2.449   3.079  13.599
  656    H    LEU  84           H        LEU  84  -0.535  -0.806  11.919
  657    HA   LEU  84           HA       LEU  84  -0.875  -2.658  14.200
  658    HB2  LEU  84           2HB      LEU  84  -2.753  -1.473  12.125
  659    HB3  LEU  84           3HB      LEU  84  -3.219  -2.810  13.157
  660    HG   LEU  84           HG       LEU  84  -2.852  -1.466  15.182
  661   HD11  LEU  84          1HD1      LEU  84  -2.736   1.035  14.956
  662   HD12  LEU  84          2HD1      LEU  84  -1.238   0.219  14.528
  663   HD13  LEU  84          3HD1      LEU  84  -2.315   0.825  13.242
  664   HD21  LEU  84          3HD2      LEU  84  -4.689  -0.176  13.120
  665   HD22  LEU  84          1HD2      LEU  84  -5.066  -1.614  14.095
  666   HD23  LEU  84          2HD2      LEU  84  -4.840  -0.050  14.889
  667    H    LEU  85           H        LEU  85   0.284  -2.952  10.998
  668    HA   LEU  85           HA       LEU  85  -0.660  -5.681  10.464
  669    HB2  LEU  85           2HB      LEU  85   1.502  -3.890   9.322
  670    HB3  LEU  85           3HB      LEU  85   1.471  -5.594   8.945
  671    HG   LEU  85           HG       LEU  85  -0.724  -5.438   7.928
  672   HD11  LEU  85          1HD1      LEU  85  -0.593  -2.465   8.541
  673   HD12  LEU  85          2HD1      LEU  85  -1.743  -3.224   7.422
  674   HD13  LEU  85          3HD1      LEU  85  -1.805  -3.619   9.142
  675   HD21  LEU  85          3HD2      LEU  85   1.180  -3.283   6.920
  676   HD22  LEU  85          1HD2      LEU  85   1.317  -5.021   6.585
  677   HD23  LEU  85          2HD2      LEU  85  -0.071  -4.112   5.966
  678    H    ALA  86           H        ALA  86   0.929  -7.529  10.357
  679    HA   ALA  86           HA       ALA  86   2.266  -8.012  12.847
  680    HB1  ALA  86           1HB      ALA  86   2.391  -9.418  10.144
  681    HB2  ALA  86           2HB      ALA  86   3.089 -10.057  11.652
  682    HB3  ALA  86           3HB      ALA  86   1.339  -9.827  11.514
  683    H    THR  87           H        THR  87   4.477  -8.131  13.351
  684    HA   THR  87           HA       THR  87   6.106  -6.052  12.495
  685    HB   THR  87           HB       THR  87   7.133  -8.670  13.630
  686    HG1  THR  87           1HG      THR  87   6.631  -7.767  15.637
  687   HG21  THR  87          1HG2      THR  87   8.908  -7.035  13.064
  688   HG22  THR  87          2HG2      THR  87   8.052  -5.773  13.978
  689   HG23  THR  87          3HG2      THR  87   8.740  -7.183  14.818
  690    H    GLU  88           H        GLU  88   6.214  -9.450  11.329
  691    HA   GLU  88           HA       GLU  88   8.470  -9.095   9.616
  692    HB2  GLU  88           2HB      GLU  88   7.849 -11.205   8.627
  693    HB3  GLU  88           3HB      GLU  88   7.710 -11.275  10.382
  694    HG2  GLU  88           2HG      GLU  88   5.218 -10.954  10.156
  695    HG3  GLU  88           3HG      GLU  88   5.405 -11.008   8.402
  696    H    ASP  89           H        ASP  89   5.053  -8.311   9.056
  697    HA   ASP  89           HA       ASP  89   5.479  -7.821   6.175
  698    HB2  ASP  89           2HB      ASP  89   3.125  -7.363   8.037
  699    HB3  ASP  89           3HB      ASP  89   3.156  -6.830   6.360
  700    H    LYS  90           H        LYS  90   5.228  -5.895   9.174
  701    HA   LYS  90           HA       LYS  90   5.552  -3.291   7.984
  702    HB2  LYS  90           2HB      LYS  90   6.238  -4.434  10.722
  703    HB3  LYS  90           3HB      LYS  90   6.464  -2.729  10.318
  704    HG2  LYS  90           2HG      LYS  90   4.155  -2.356   9.971
  705    HG3  LYS  90           3HG      LYS  90   3.785  -4.078   9.878
  706    HD2  LYS  90           2HD      LYS  90   2.988  -3.179  11.964
  707    HD3  LYS  90           3HD      LYS  90   4.249  -4.386  12.244
  708    HE2  LYS  90           2HE      LYS  90   5.892  -2.572  12.650
  709    HE3  LYS  90           3HE      LYS  90   4.638  -1.366  12.324
  710    HZ1  LYS  90           3HZ      LYS  90   4.581  -3.353  14.542
  711    HZ2  LYS  90           1HZ      LYS  90   4.856  -1.753  14.716
  712    HZ3  LYS  90           2HZ      LYS  90   3.381  -2.289  14.233
  713    H    GLU  91           H        GLU  91   7.959  -5.695   9.062
  714    HA   GLU  91           HA       GLU  91  10.293  -4.202   8.241
  715    HB2  GLU  91           2HB      GLU  91   9.769  -7.186   8.573
  716    HB3  GLU  91           3HB      GLU  91  11.317  -6.525   8.046
  717    HG2  GLU  91           2HG      GLU  91  11.418  -5.147  10.128
  718    HG3  GLU  91           3HG      GLU  91   9.954  -5.946  10.697
  719    H    ALA  92           H        ALA  92   8.399  -6.753   6.479
  720    HA   ALA  92           HA       ALA  92   9.979  -6.659   4.153
  721    HB1  ALA  92           1HB      ALA  92   7.048  -7.379   4.464
  722    HB2  ALA  92           2HB      ALA  92   8.101  -7.830   3.100
  723    HB3  ALA  92           3HB      ALA  92   8.441  -8.462   4.725
  724    H    LEU  93           H        LEU  93   7.141  -4.602   4.922
  725    HA   LEU  93           HA       LEU  93   7.000  -3.336   2.325
  726    HB2  LEU  93           2HB      LEU  93   6.087  -2.547   5.111
  727    HB3  LEU  93           3HB      LEU  93   5.758  -1.560   3.689
  728    HG   LEU  93           HG       LEU  93   4.811  -4.444   3.976
  729   HD11  LEU  93          1HD1      LEU  93   3.313  -1.825   4.424
  730   HD12  LEU  93          2HD1      LEU  93   2.609  -3.457   4.468
  731   HD13  LEU  93          3HD1      LEU  93   3.796  -2.982   5.689
  732   HD21  LEU  93          3HD2      LEU  93   3.272  -3.835   2.154
  733   HD22  LEU  93          1HD2      LEU  93   4.029  -2.232   2.037
  734   HD23  LEU  93          2HD2      LEU  93   4.954  -3.700   1.636
  735    H    LYS  94           H        LYS  94   8.713  -2.435   5.363
  736    HA   LYS  94           HA       LYS  94   9.969  -0.061   4.254
  737    HB2  LYS  94           2HB      LYS  94  10.575  -1.846   6.648
  738    HB3  LYS  94           3HB      LYS  94  11.578  -0.458   6.208
  739    HG2  LYS  94           2HG      LYS  94   9.719   1.085   6.493
  740    HG3  LYS  94           3HG      LYS  94   8.587  -0.244   6.745
  741    HD2  LYS  94           2HD      LYS  94   9.195   0.814   8.890
  742    HD3  LYS  94           3HD      LYS  94   9.661  -0.881   8.820
  743    HE2  LYS  94           2HE      LYS  94  11.453   0.255   9.882
  744    HE3  LYS  94           3HE      LYS  94  12.012  -0.193   8.273
  745    HZ1  LYS  94           3HZ      LYS  94  12.658   2.064   8.735
  746    HZ2  LYS  94           1HZ      LYS  94  11.507   2.136   7.588
  747    HZ3  LYS  94           2HZ      LYS  94  11.139   2.510   9.144
  748    H    LYS  95           H        LYS  95  10.986  -3.475   4.429
  749    HA   LYS  95           HA       LYS  95  13.633  -3.073   3.490
  750    HB2  LYS  95           2HB      LYS  95  11.779  -5.465   3.454
  751    HB3  LYS  95           3HB      LYS  95  13.384  -5.561   2.726
  752    HG2  LYS  95           2HG      LYS  95  14.490  -5.016   4.785
  753    HG3  LYS  95           3HG      LYS  95  12.970  -4.652   5.604
  754    HD2  LYS  95           2HD      LYS  95  12.243  -7.010   5.318
  755    HD3  LYS  95           3HD      LYS  95  13.781  -7.402   4.540
  756    HE2  LYS  95           2HE      LYS  95  13.487  -6.301   7.378
  757    HE3  LYS  95           3HE      LYS  95  13.597  -8.019   6.990
  758    HZ1  LYS  95           3HZ      LYS  95  15.717  -6.017   6.419
  759    HZ2  LYS  95           1HZ      LYS  95  15.758  -7.144   7.595
  760    HZ3  LYS  95           2HZ      LYS  95  15.798  -7.606   6.033
  761    H    GLN  96           H        GLN  96  10.698  -3.058   1.684
  762    HA   GLN  96           HA       GLN  96  12.112  -3.112  -0.942
  763    HB2  GLN  96           2HB      GLN  96   9.168  -3.215  -0.196
  764    HB3  GLN  96           3HB      GLN  96   9.795  -3.192  -1.853
  765    HG2  GLN  96           2HG      GLN  96  10.898  -5.316  -1.583
  766    HG3  GLN  96           3HG      GLN  96  10.553  -5.359   0.148
  767   HE21  GLN  96          2HE2      GLN  96   8.301  -5.559   0.851
  768   HE22  GLN  96          1HE2      GLN  96   7.136  -6.335  -0.235
  769    H    LEU  97           H        LEU  97  10.154  -0.970   1.153
  770    HA   LEU  97           HA       LEU  97  11.141   1.375  -0.383
  771    HB2  LEU  97           2HB      LEU  97   8.969   0.787  -1.235
  772    HB3  LEU  97           3HB      LEU  97   8.260   0.776   0.374
  773    HG   LEU  97           HG       LEU  97   8.330   3.149   0.549
  774   HD11  LEU  97          1HD1      LEU  97  10.162   3.147  -1.881
  775   HD12  LEU  97          2HD1      LEU  97   9.383   4.602  -1.206
  776   HD13  LEU  97          3HD1      LEU  97  10.552   3.706  -0.239
  777   HD21  LEU  97          3HD2      LEU  97   7.707   2.438  -2.346
  778   HD22  LEU  97          1HD2      LEU  97   6.616   2.237  -0.961
  779   HD23  LEU  97          2HD2      LEU  97   7.114   3.858  -1.461
  780    HA   PRO  98           HA       PRO  98  11.657   2.032   4.125
  781    HB2  PRO  98           2HB      PRO  98  14.379   2.399   4.231
  782    HB3  PRO  98           3HB      PRO  98  13.575   0.809   4.267
  783    HG2  PRO  98           2HG      PRO  98  15.067   2.092   2.020
  784    HG3  PRO  98           3HG      PRO  98  14.755   0.355   2.347
  785    HD2  PRO  98           2HD      PRO  98  13.366   2.082   0.515
  786    HD3  PRO  98           3HD      PRO  98  13.015   0.379   0.920
  787    H    GLY  99           H        GLY  99  12.078   3.990   5.333
  788    HA2  GLY  99           2HA      GLY  99  12.667   6.450   3.769
  789    HA3  GLY  99           3HA      GLY  99  11.423   6.368   5.015
  790    H    VAL 100           H        VAL 100  13.009   8.228   5.386
  791    HA   VAL 100           HA       VAL 100  15.177   7.448   7.297
  792    HB   VAL 100           HB       VAL 100  15.996   8.303   5.119
  793   HG11  VAL 100          1HG1      VAL 100  14.914  11.031   5.968
  794   HG12  VAL 100          2HG1      VAL 100  15.894  10.651   4.545
  795   HG13  VAL 100          3HG1      VAL 100  14.244  10.029   4.669
  796   HG21  VAL 100          3HG2      VAL 100  17.693   9.766   6.024
  797   HG22  VAL 100          1HG2      VAL 100  16.722  10.095   7.466
  798   HG23  VAL 100          2HG2      VAL 100  17.364   8.460   7.168
  799    H    LYS 101           H        LYS 101  15.422   8.579   9.171
  800    HA   LYS 101           HA       LYS 101  13.247  10.297  10.143
  801    HB2  LYS 101           2HB      LYS 101  14.375  10.246  12.278
  802    HB3  LYS 101           3HB      LYS 101  14.130   8.630  11.659
  803    HG2  LYS 101           2HG      LYS 101  16.797   9.978  11.140
  804    HG3  LYS 101           3HG      LYS 101  16.441   9.445  12.773
  805    HD2  LYS 101           2HD      LYS 101  16.319   7.578  10.363
  806    HD3  LYS 101           3HD      LYS 101  17.738   7.833  11.374
  807    HE2  LYS 101           2HE      LYS 101  16.602   7.017  13.346
  808    HE3  LYS 101           3HE      LYS 101  15.079   6.846  12.463
  809    HZ1  LYS 101           3HZ      LYS 101  15.999   5.111  11.149
  810    HZ2  LYS 101           1HZ      LYS 101  17.535   5.392  11.639
  811    HZ3  LYS 101           2HZ      LYS 101  16.431   4.751  12.680
  812    H    SER 102           H        SER 102  14.513  11.388   7.945
  813    HA   SER 102           HA       SER 102  15.863  13.015   7.056
  814    HB2  SER 102           2HB      SER 102  14.365  14.572   9.166
  815    HB3  SER 102           3HB      SER 102  15.066  15.208   7.655
  816    HG   SER 102           HG       SER 102  12.819  14.729   7.457
  817    H    GLU 103           H        GLU 103  17.611  11.661   8.461
  818    HA   GLU 103           HA       GLU 103  19.600  11.627   9.519
  819    HB2  GLU 103           2HB      GLU 103  19.798  14.452   8.448
  820    HB3  GLU 103           3HB      GLU 103  21.147  13.498   9.075
  821    HG2  GLU 103           2HG      GLU 103  20.824  11.794   7.372
  822    HG3  GLU 103           3HG      GLU 103  19.431  12.658   6.712
  823    H    GLY 104           H        GLY 104  17.341  12.432  11.249
  824    HA2  GLY 104           2HA      GLY 104  18.180  14.218  13.283
  825    HA3  GLY 104           3HA      GLY 104  16.951  12.963  13.427
  826    H    LYS 105           H        LYS 105  20.278  12.167  12.705
  827    HA   LYS 105           HA       LYS 105  21.006  11.473  15.487
  828    HB2  LYS 105           2HB      LYS 105  19.860   9.454  14.722
  829    HB3  LYS 105           3HB      LYS 105  20.861   9.377  13.276
  830    HG2  LYS 105           2HG      LYS 105  22.883   9.029  14.730
  831    HG3  LYS 105           3HG      LYS 105  21.832   9.074  16.158
  832    HD2  LYS 105           2HD      LYS 105  20.601   7.098  15.333
  833    HD3  LYS 105           3HD      LYS 105  21.572   7.092  13.845
  834    HE2  LYS 105           2HE      LYS 105  23.631   6.750  15.206
  835    HE3  LYS 105           3HE      LYS 105  22.645   6.696  16.675
  836    HZ1  LYS 105           3HZ      LYS 105  21.528   4.731  15.769
  837    HZ2  LYS 105           1HZ      LYS 105  22.393   4.808  14.380
  838    HZ3  LYS 105           2HZ      LYS 105  23.139   4.464  15.797
  839    H    ARG 106           H        ARG 106  22.353  10.462  12.411
  840    HA   ARG 106           HA       ARG 106  24.383  12.593  12.268
  841    HB2  ARG 106           2HB      ARG 106  25.233   9.663  12.544
  842    HB3  ARG 106           3HB      ARG 106  26.265  10.961  11.935
  843    HG2  ARG 106           2HG      ARG 106  25.990  12.158  14.127
  844    HG3  ARG 106           3HG      ARG 106  25.107  10.740  14.739
  845    HD2  ARG 106           2HD      ARG 106  27.069   9.313  14.289
  846    HD3  ARG 106           3HD      ARG 106  27.958  10.725  13.678
  847    HE   ARG 106           HE       ARG 106  27.009  11.308  16.304
  848   HH11  ARG 106          1HH2      ARG 106  29.435   9.261  14.819
  849   HH12  ARG 106          2HH2      ARG 106  30.446   9.275  16.238
  850   HH21  ARG 106          1HH1      ARG 106  28.344  11.282  18.079
  851   HH22  ARG 106          2HH1      ARG 106  29.837  10.390  18.033
  852    H    LYS 107           H        LYS 107  23.700   9.387  10.905
  853    HA   LYS 107           HA       LYS 107  22.873  10.635   8.307
  854    HB2  LYS 107           2HB      LYS 107  24.637   8.186   8.737
  855    HB3  LYS 107           3HB      LYS 107  23.812   8.495   7.210
  856    HG2  LYS 107           2HG      LYS 107  25.704  10.511   8.484
  857    HG3  LYS 107           3HG      LYS 107  26.243   9.266   7.374
  858    HD2  LYS 107           2HD      LYS 107  25.249  10.194   5.528
  859    HD3  LYS 107           3HD      LYS 107  23.955  10.982   6.416
  860    HE2  LYS 107           2HE      LYS 107  26.843  11.879   6.709
  861    HE3  LYS 107           3HE      LYS 107  25.825  12.448   5.380
  862    HZ1  LYS 107           3HZ      LYS 107  25.080  12.768   8.241
  863    HZ2  LYS 107           1HZ      LYS 107  25.721  13.955   7.299
  864    HZ3  LYS 107           2HZ      LYS 107  24.247  13.321   6.959
  865    H    GLY 108           H        GLY 108  22.284   8.170  10.726
  866    HA2  GLY 108           2HA      GLY 108  20.054   7.846  11.420
  867    HA3  GLY 108           3HA      GLY 108  19.473   8.125   9.781
  868    H    ASP 109           H        ASP 109  21.956   5.993   9.384
  869    HA   ASP 109           HA       ASP 109  22.153   3.815   8.892
  870    HB2  ASP 109           2HB      ASP 109  20.382   3.353  11.308
  871    HB3  ASP 109           3HB      ASP 109  21.451   2.175  10.557
  872    H    GLU 110           H        GLU 110  19.652   5.245   7.794
  873    HA   GLU 110           HA       GLU 110  18.505   2.854   6.456
  874    HB2  GLU 110           2HB      GLU 110  16.872   5.112   7.690
  875    HB3  GLU 110           3HB      GLU 110  16.247   3.907   6.555
  876    HG2  GLU 110           2HG      GLU 110  16.770   2.092   8.133
  877    HG3  GLU 110           3HG      GLU 110  17.408   3.260   9.295
  878    H    VAL 111           H        VAL 111  17.742   3.228   4.359
  879    HA   VAL 111           HA       VAL 111  17.998   3.973   2.255
  880    HB   VAL 111           HB       VAL 111  17.489   6.814   3.158
  881   HG11  VAL 111          1HG1      VAL 111  17.831   6.378   0.705
  882   HG12  VAL 111          2HG1      VAL 111  16.530   5.174   0.757
  883   HG13  VAL 111          3HG1      VAL 111  16.182   6.888   1.065
  884   HG21  VAL 111          3HG2      VAL 111  15.059   6.281   3.051
  885   HG22  VAL 111          1HG2      VAL 111  15.455   4.554   2.943
  886   HG23  VAL 111          2HG2      VAL 111  15.863   5.488   4.402
  887    H    ASP 112           H        ASP 112  20.338   3.449   3.337
  888    HA   ASP 112           HA       ASP 112  22.251   5.242   1.951
  889    HB2  ASP 112           2HB      ASP 112  22.228   5.996   4.290
  890    HB3  ASP 112           3HB      ASP 112  22.517   4.352   4.849
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  14.626   1.054  20.099
    2    H2   GLY   1           H2       GLY   1  15.740   2.245  20.253
    3    H3   GLY   1           H3       GLY   1  16.224   0.701  20.000
    4    HA2  GLY   1           2HA      GLY   1  16.446   1.974  17.963
    5    HA3  GLY   1           3HA      GLY   1  15.256   0.668  17.802
    6    H    SER   2           H        SER   2  15.707   3.644  16.780
    7    HA   SER   2           HA       SER   2  13.214   4.980  17.575
    8    HB2  SER   2           2HB      SER   2  15.405   5.764  15.619
    9    HB3  SER   2           3HB      SER   2  14.005   6.767  16.032
   10    HG   SER   2           HG       SER   2  15.928   5.775  17.898
   11    H    LYS   3           H        LYS   3  11.621   5.711  16.185
   12    HA   LYS   3           HA       LYS   3  11.201   4.444  13.524
   13    HB2  LYS   3           2HB      LYS   3   9.249   4.368  15.879
   14    HB3  LYS   3           3HB      LYS   3   8.812   3.989  14.212
   15    HG2  LYS   3           2HG      LYS   3  10.409   2.104  14.194
   16    HG3  LYS   3           3HG      LYS   3  10.829   2.442  15.889
   17    HD2  LYS   3           2HD      LYS   3   8.512   2.043  16.590
   18    HD3  LYS   3           3HD      LYS   3   8.015   1.796  14.900
   19    HE2  LYS   3           2HE      LYS   3   9.536  -0.145  14.725
   20    HE3  LYS   3           3HE      LYS   3  10.051   0.088  16.403
   21    HZ1  LYS   3           3HZ      LYS   3   8.303  -1.619  16.081
   22    HZ2  LYS   3           1HZ      LYS   3   7.837  -0.445  17.138
   23    HZ3  LYS   3           2HZ      LYS   3   7.246  -0.469  15.609
   24    H    ALA   4           H        ALA   4   9.575   5.507  12.274
   25    HA   ALA   4           HA       ALA   4   8.760   8.246  13.137
   26    HB1  ALA   4           1HB      ALA   4   9.805   8.153  10.921
   27    HB2  ALA   4           2HB      ALA   4   8.619   6.938  10.397
   28    HB3  ALA   4           3HB      ALA   4   8.089   8.584  10.803
   29    H    GLU   5           H        GLU   5   6.596   8.717  13.416
   30    HA   GLU   5           HA       GLU   5   4.784   6.347  13.743
   31    HB2  GLU   5           2HB      GLU   5   5.159   8.759  15.554
   32    HB3  GLU   5           3HB      GLU   5   4.016   7.435  15.813
   33    HG2  GLU   5           2HG      GLU   5   5.923   5.825  15.913
   34    HG3  GLU   5           3HG      GLU   5   7.049   7.179  15.794
   35    H    LYS   6           H        LYS   6   4.910   8.668  11.627
   36    HA   LYS   6           HA       LYS   6   2.011   9.404  11.741
   37    HB2  LYS   6           2HB      LYS   6   3.359  11.258  12.603
   38    HB3  LYS   6           3HB      LYS   6   4.364  11.246  11.146
   39    HG2  LYS   6           2HG      LYS   6   2.458  11.849   9.775
   40    HG3  LYS   6           3HG      LYS   6   1.359  11.769  11.169
   41    HD2  LYS   6           2HD      LYS   6   2.620  13.671  12.189
   42    HD3  LYS   6           3HD      LYS   6   3.651  13.748  10.751
   43    HE2  LYS   6           2HE      LYS   6   0.617  14.122  10.822
   44    HE3  LYS   6           3HE      LYS   6   1.803  15.422  10.711
   45    HZ1  LYS   6           3HZ      LYS   6   1.392  13.306   8.647
   46    HZ2  LYS   6           1HZ      LYS   6   0.925  14.868   8.529
   47    HZ3  LYS   6           2HZ      LYS   6   2.513  14.502   8.563
   48    H    THR   7           H        THR   7   0.912   9.526   9.907
   49    HA   THR   7           HA       THR   7   1.912   8.458   7.375
   50    HB   THR   7           HB       THR   7  -0.824   9.589   7.975
   51    HG1  THR   7           1HG      THR   7  -1.423   7.681   8.774
   52   HG21  THR   7          1HG2      THR   7  -0.160   7.248   6.190
   53   HG22  THR   7          2HG2      THR   7  -1.637   8.233   6.237
   54   HG23  THR   7          3HG2      THR   7  -0.162   8.876   5.555
   55    H    LEU   8           H        LEU   8   2.075   9.646   5.418
   56    HA   LEU   8           HA       LEU   8   2.240  12.558   5.644
   57    HB2  LEU   8           2HB      LEU   8   3.124  12.642   3.586
   58    HB3  LEU   8           3HB      LEU   8   3.599  11.025   4.064
   59    HG   LEU   8           HG       LEU   8   1.274  11.768   2.207
   60   HD11  LEU   8          1HD1      LEU   8   3.947  10.456   1.628
   61   HD12  LEU   8          2HD1      LEU   8   2.654  10.778   0.452
   62   HD13  LEU   8          3HD1      LEU   8   3.499  12.127   1.226
   63   HD21  LEU   8          3HD2      LEU   8   2.376   9.057   3.004
   64   HD22  LEU   8          1HD2      LEU   8   0.765   9.646   3.394
   65   HD23  LEU   8          2HD2      LEU   8   1.192   9.340   1.708
   66    H    GLY   9           H        GLY   9  -0.437  10.503   5.069
   67    HA2  GLY   9           2HA      GLY   9  -2.673  11.169   5.102
   68    HA3  GLY   9           3HA      GLY   9  -2.229  12.795   4.606
   69    H    ASP  10           H        ASP  10  -0.940  10.190   2.576
   70    HA   ASP  10           HA       ASP  10  -3.072  10.720   0.560
   71    HB2  ASP  10           2HB      ASP  10  -0.072  10.907   0.164
   72    HB3  ASP  10           3HB      ASP  10  -1.241  10.859  -1.150
   73    H    PHE  11           H        PHE  11  -1.233   8.267   2.121
   74    HA   PHE  11           HA       PHE  11  -2.607   6.318   0.464
   75    HB2  PHE  11           2HB      PHE  11  -0.388   4.976   0.200
   76    HB3  PHE  11           3HB      PHE  11  -0.877   6.181  -0.939
   77    HD1  PHE  11           HD1      PHE  11   1.265   6.074   2.203
   78    HD2  PHE  11           HD2      PHE  11   0.711   7.574  -1.806
   79    HE1  PHE  11           HE1      PHE  11   3.552   7.002   2.229
   80    HE2  PHE  11           HE2      PHE  11   2.976   8.576  -1.737
   81    HZ   PHE  11           HZ       PHE  11   4.411   8.267   0.274
   82    H    ALA  12           H        ALA  12  -2.611   4.174   1.273
   83    HA   ALA  12           HA       ALA  12  -2.448   4.015   4.246
   84    HB1  ALA  12           1HB      ALA  12  -4.678   4.828   3.498
   85    HB2  ALA  12           2HB      ALA  12  -4.840   3.396   2.469
   86    HB3  ALA  12           3HB      ALA  12  -4.773   3.208   4.230
   87    H    ALA  13           H        ALA  13  -2.581   1.902   5.140
   88    HA   ALA  13           HA       ALA  13  -2.150  -0.420   3.314
   89    HB1  ALA  13           1HB      ALA  13  -0.566   0.265   5.830
   90    HB2  ALA  13           2HB      ALA  13  -0.307  -1.119   4.736
   91    HB3  ALA  13           3HB      ALA  13  -0.009   0.535   4.169
   92    H    GLU  14           H        GLU  14  -3.138  -2.298   3.916
   93    HA   GLU  14           HA       GLU  14  -4.164  -2.757   6.651
   94    HB2  GLU  14           2HB      GLU  14  -5.829  -1.311   5.229
   95    HB3  GLU  14           3HB      GLU  14  -6.074  -2.778   4.281
   96    HG2  GLU  14           2HG      GLU  14  -6.833  -3.937   6.380
   97    HG3  GLU  14           3HG      GLU  14  -6.513  -2.462   7.287
   98    H    TYR  15           H        TYR  15  -4.974  -5.100   6.864
   99    HA   TYR  15           HA       TYR  15  -4.037  -6.986   4.822
  100    HB2  TYR  15           2HB      TYR  15  -6.038  -7.295   7.080
  101    HB3  TYR  15           3HB      TYR  15  -5.460  -8.597   6.050
  102    HD1  TYR  15           HD1      TYR  15  -2.420  -7.157   6.247
  103    HD2  TYR  15           HD2      TYR  15  -5.383  -8.781   8.948
  104    HE1  TYR  15           HE1      TYR  15  -0.635  -7.809   7.799
  105    HE2  TYR  15           HE2      TYR  15  -3.580  -9.367  10.546
  106    HH   TYR  15           HH       TYR  15  -1.356  -9.417  10.935
  107    H    ALA  16           H        ALA  16  -5.121  -7.931   3.202
  108    HA   ALA  16           HA       ALA  16  -7.274  -6.590   1.948
  109    HB1  ALA  16           1HB      ALA  16  -6.084  -9.322   1.508
  110    HB2  ALA  16           2HB      ALA  16  -7.174  -8.489   0.371
  111    HB3  ALA  16           3HB      ALA  16  -5.573  -7.808   0.740
  112    H    LYS  17           H        LYS  17  -9.243  -6.460   2.826
  113    HA   LYS  17           HA       LYS  17 -10.381  -8.436   4.587
  114    HB2  LYS  17           2HB      LYS  17 -11.677  -6.025   3.236
  115    HB3  LYS  17           3HB      LYS  17 -12.338  -6.913   4.605
  116    HG2  LYS  17           2HG      LYS  17  -9.757  -5.287   4.621
  117    HG3  LYS  17           3HG      LYS  17 -11.311  -4.797   5.289
  118    HD2  LYS  17           2HD      LYS  17 -11.225  -6.689   6.902
  119    HD3  LYS  17           3HD      LYS  17  -9.623  -7.146   6.270
  120    HE2  LYS  17           2HE      LYS  17  -8.700  -4.977   6.896
  121    HE3  LYS  17           3HE      LYS  17 -10.289  -4.408   7.427
  122    HZ1  LYS  17           3HZ      LYS  17 -10.261  -6.118   9.158
  123    HZ2  LYS  17           1HZ      LYS  17  -8.796  -6.657   8.676
  124    HZ3  LYS  17           2HZ      LYS  17  -8.953  -5.159   9.310
  125    H    SER  18           H        SER  18 -10.752  -7.943   1.147
  126    HA   SER  18           HA       SER  18 -12.114 -10.529   0.961
  127    HB2  SER  18           2HB      SER  18 -13.993  -8.862   1.136
  128    HB3  SER  18           3HB      SER  18 -13.402  -8.109  -0.366
  129    HG   SER  18           HG       SER  18 -15.078  -9.821  -0.539
  130    H    ASN  19           H        ASN  19 -11.972 -11.475  -1.087
  131    HA   ASN  19           HA       ASN  19  -9.683 -10.653  -2.672
  132    HB2  ASN  19           2HB      ASN  19 -10.335 -13.026  -2.005
  133    HB3  ASN  19           3HB      ASN  19 -11.656 -12.921  -3.170
  134   HD21  ASN  19          2HD2      ASN  19  -8.412 -11.501  -3.857
  135   HD22  ASN  19          1HD2      ASN  19  -7.849 -12.870  -4.788
  136    H    ARG  20           H        ARG  20 -12.769  -9.512  -2.686
  137    HA   ARG  20           HA       ARG  20 -13.097  -8.881  -5.523
  138    HB2  ARG  20           2HB      ARG  20 -14.162  -7.438  -3.049
  139    HB3  ARG  20           3HB      ARG  20 -14.715  -7.212  -4.705
  140    HG2  ARG  20           2HG      ARG  20 -15.086  -9.698  -2.989
  141    HG3  ARG  20           3HG      ARG  20 -16.318  -8.548  -3.504
  142    HD2  ARG  20           2HD      ARG  20 -15.829  -9.224  -5.900
  143    HD3  ARG  20           3HD      ARG  20 -14.726 -10.448  -5.264
  144    HE   ARG  20           HE       ARG  20 -16.503 -11.754  -4.539
  145   HH11  ARG  20          1HH2      ARG  20 -17.850  -8.711  -5.655
  146   HH12  ARG  20          2HH2      ARG  20 -19.479  -9.330  -5.637
  147   HH21  ARG  20          1HH1      ARG  20 -18.599 -12.467  -4.543
  148   HH22  ARG  20          2HH1      ARG  20 -19.884 -11.398  -5.022
  149    H    SER  21           H        SER  21 -10.950  -7.717  -3.078
  150    HA   SER  21           HA       SER  21 -10.334  -5.114  -4.143
  151    HB2  SER  21           2HB      SER  21  -8.463  -7.082  -2.765
  152    HB3  SER  21           3HB      SER  21  -8.216  -5.332  -2.969
  153    HG   SER  21           HG       SER  21 -10.068  -6.723  -1.350
  154    H    THR  22           H        THR  22  -8.952  -4.491  -5.846
  155    HA   THR  22           HA       THR  22  -7.454  -6.585  -7.343
  156    HB   THR  22           HB       THR  22  -9.251  -4.604  -8.726
  157    HG1  THR  22           1HG      THR  22 -10.522  -6.182  -7.727
  158   HG21  THR  22          1HG2      THR  22  -8.880  -5.900 -10.741
  159   HG22  THR  22          2HG2      THR  22  -7.320  -5.374 -10.100
  160   HG23  THR  22          3HG2      THR  22  -7.868  -7.052  -9.858
  161    H    CYS  23           HN       CYS  23  -5.594  -5.906  -8.115
  162    HA   CYS  23           HA       CYS  23  -4.516  -3.443  -7.099
  163    HB2  CYS  23           2HB      CYS  23  -3.317  -5.496  -6.902
  164    HB3  CYS  23           3HB      CYS  23  -3.518  -5.835  -8.620
  165    H    LYS  24           H        LYS  24  -4.776  -1.617  -8.147
  166    HA   LYS  24           HA       LYS  24  -5.025  -1.312 -11.063
  167    HB2  LYS  24           2HB      LYS  24  -4.763   0.571  -8.709
  168    HB3  LYS  24           3HB      LYS  24  -4.586   1.164 -10.359
  169    HG2  LYS  24           2HG      LYS  24  -6.861   1.476  -9.683
  170    HG3  LYS  24           3HG      LYS  24  -6.789   0.299 -10.982
  171    HD2  LYS  24           2HD      LYS  24  -7.234  -1.528  -9.454
  172    HD3  LYS  24           3HD      LYS  24  -7.050  -0.464  -8.040
  173    HE2  LYS  24           2HE      LYS  24  -9.027   0.826  -8.725
  174    HE3  LYS  24           3HE      LYS  24  -9.167  -0.119 -10.213
  175    HZ1  LYS  24           3HZ      LYS  24  -9.632  -2.079  -8.882
  176    HZ2  LYS  24           1HZ      LYS  24  -9.426  -1.264  -7.481
  177    HZ3  LYS  24           2HZ      LYS  24 -10.685  -0.906  -8.464
  178    H    GLY  25           H        GLY  25  -2.367  -1.895  -9.056
  179    HA2  GLY  25           2HA      GLY  25  -0.313  -0.520 -10.599
  180    HA3  GLY  25           3HA      GLY  25  -0.078  -1.770  -9.376
  181    H    CYS  26           HN       CYS  26  -1.786  -3.738 -10.808
  182    HA   CYS  26           HA       CYS  26  -0.363  -4.108 -13.377
  183    HB2  CYS  26           2HB      CYS  26   0.336  -6.341 -12.936
  184    HB3  CYS  26           3HB      CYS  26   0.987  -5.284 -11.684
  185    H    MET  27           H        MET  27  -3.330  -4.078 -11.969
  186    HA   MET  27           HA       MET  27  -5.381  -4.729 -12.472
  187    HB2  MET  27           2HB      MET  27  -4.331  -5.068 -15.283
  188    HB3  MET  27           3HB      MET  27  -6.037  -5.129 -14.848
  189    HG2  MET  27           2HG      MET  27  -4.420  -2.713 -14.032
  190    HG3  MET  27           3HG      MET  27  -4.890  -2.916 -15.707
  191    HE1  MET  27           3HE      MET  27  -6.211  -2.706 -12.043
  192    HE2  MET  27           1HE      MET  27  -7.915  -2.235 -12.246
  193    HE3  MET  27           2HE      MET  27  -7.410  -3.903 -12.580
  194    H    GLU  28           H        GLU  28  -4.294  -6.440 -10.976
  195    HA   GLU  28           HA       GLU  28  -5.632  -8.946 -11.796
  196    HB2  GLU  28           2HB      GLU  28  -2.811  -8.812 -10.672
  197    HB3  GLU  28           3HB      GLU  28  -3.801 -10.249 -10.552
  198    HG2  GLU  28           2HG      GLU  28  -2.959  -8.923 -13.151
  199    HG3  GLU  28           3HG      GLU  28  -2.225 -10.350 -12.421
  200    H    LYS  29           H        LYS  29  -6.179 -10.298  -9.998
  201    HA   LYS  29           HA       LYS  29  -7.527  -8.699  -8.004
  202    HB2  LYS  29           2HB      LYS  29  -8.404 -10.866  -7.198
  203    HB3  LYS  29           3HB      LYS  29  -8.626 -10.587  -8.923
  204    HG2  LYS  29           2HG      LYS  29  -6.542 -12.037  -9.331
  205    HG3  LYS  29           3HG      LYS  29  -6.585 -12.461  -7.623
  206    HD2  LYS  29           2HD      LYS  29  -8.891 -12.885  -9.573
  207    HD3  LYS  29           3HD      LYS  29  -7.655 -14.098  -9.277
  208    HE2  LYS  29           2HE      LYS  29  -9.348 -12.929  -7.034
  209    HE3  LYS  29           3HE      LYS  29  -9.883 -14.304  -8.002
  210    HZ1  LYS  29           3HZ      LYS  29  -7.944 -15.547  -7.276
  211    HZ2  LYS  29           1HZ      LYS  29  -7.364 -14.275  -6.405
  212    HZ3  LYS  29           2HZ      LYS  29  -8.763 -14.980  -5.968
  213    H    ILE  30           H        ILE  30  -7.101  -8.300  -5.944
  214    HA   ILE  30           HA       ILE  30  -4.503  -9.113  -4.802
  215    HB   ILE  30           HB       ILE  30  -6.629  -7.145  -3.947
  216   HG12  ILE  30          2HG1      ILE  30  -3.715  -6.652  -4.668
  217   HG13  ILE  30          3HG1      ILE  30  -5.006  -6.622  -5.862
  218   HG21  ILE  30          1HG2      ILE  30  -5.168  -6.480  -2.100
  219   HG22  ILE  30          2HG2      ILE  30  -5.643  -8.155  -1.896
  220   HG23  ILE  30          3HG2      ILE  30  -4.015  -7.764  -2.509
  221   HD11  ILE  30          3HD1      ILE  30  -6.132  -4.795  -4.647
  222   HD12  ILE  30          1HD1      ILE  30  -4.798  -4.761  -3.463
  223   HD13  ILE  30          2HD1      ILE  30  -4.490  -4.376  -5.156
  224    H    GLU  31           H        GLU  31  -4.290 -10.798  -3.515
  225    HA   GLU  31           HA       GLU  31  -6.518 -12.501  -2.912
  226    HB2  GLU  31           2HB      GLU  31  -3.643 -12.669  -1.996
  227    HB3  GLU  31           3HB      GLU  31  -4.854 -13.943  -1.831
  228    HG2  GLU  31           2HG      GLU  31  -3.823 -12.787  -4.458
  229    HG3  GLU  31           3HG      GLU  31  -3.327 -14.299  -3.725
  230    H    LYS  32           H        LYS  32  -7.608 -12.919  -1.137
  231    HA   LYS  32           HA       LYS  32  -7.815 -10.985   0.979
  232    HB2  LYS  32           2HB      LYS  32  -9.664 -12.460   0.179
  233    HB3  LYS  32           3HB      LYS  32  -8.850 -13.849   0.910
  234    HG2  LYS  32           2HG      LYS  32  -9.061 -12.749   3.154
  235    HG3  LYS  32           3HG      LYS  32  -9.889 -11.381   2.379
  236    HD2  LYS  32           2HD      LYS  32 -11.689 -12.896   1.633
  237    HD3  LYS  32           3HD      LYS  32 -10.835 -14.273   2.370
  238    HE2  LYS  32           2HE      LYS  32 -11.009 -13.200   4.596
  239    HE3  LYS  32           3HE      LYS  32 -11.839 -11.816   3.879
  240    HZ1  LYS  32           3HZ      LYS  32 -13.414 -13.392   4.838
  241    HZ2  LYS  32           1HZ      LYS  32 -13.645 -13.316   3.227
  242    HZ3  LYS  32           2HZ      LYS  32 -12.877 -14.601   3.884
  243    H    GLY  33           H        GLY  33  -7.192 -11.043   3.101
  244    HA2  GLY  33           2HA      GLY  33  -5.997 -11.581   4.985
  245    HA3  GLY  33           3HA      GLY  33  -5.837 -13.223   4.367
  246    H    GLN  34           H        GLN  34  -4.392 -10.932   2.185
  247    HA   GLN  34           HA       GLN  34  -1.834 -10.896   3.683
  248    HB2  GLN  34           2HB      GLN  34  -0.544 -11.067   1.661
  249    HB3  GLN  34           3HB      GLN  34  -1.509 -12.499   1.941
  250    HG2  GLN  34           2HG      GLN  34  -1.526 -12.091  -0.417
  251    HG3  GLN  34           3HG      GLN  34  -3.132 -11.732   0.180
  252   HE21  GLN  34          2HE2      GLN  34  -3.946  -9.656  -0.330
  253   HE22  GLN  34          1HE2      GLN  34  -2.898  -8.260  -0.338
  254    H    VAL  35           H        VAL  35  -0.474  -8.906   2.877
  255    HA   VAL  35           HA       VAL  35  -2.091  -6.666   3.601
  256    HB   VAL  35           HB       VAL  35   0.731  -6.751   2.500
  257   HG11  VAL  35          1HG1      VAL  35  -0.137  -4.465   2.219
  258   HG12  VAL  35          2HG1      VAL  35  -0.741  -4.465   3.893
  259   HG13  VAL  35          3HG1      VAL  35   1.001  -4.514   3.555
  260   HG21  VAL  35          3HG2      VAL  35   1.385  -6.450   4.847
  261   HG22  VAL  35          1HG2      VAL  35  -0.317  -6.541   5.338
  262   HG23  VAL  35          2HG2      VAL  35   0.488  -7.953   4.627
  263    H    ARG  36           H        ARG  36  -2.933  -4.947   2.530
  264    HA   ARG  36           HA       ARG  36  -2.522  -4.641  -0.391
  265    HB2  ARG  36           2HB      ARG  36  -4.811  -4.011  -0.769
  266    HB3  ARG  36           3HB      ARG  36  -4.723  -5.655  -0.136
  267    HG2  ARG  36           2HG      ARG  36  -5.524  -4.969   2.033
  268    HG3  ARG  36           3HG      ARG  36  -5.428  -3.267   1.605
  269    HD2  ARG  36           2HD      ARG  36  -7.137  -3.600  -0.169
  270    HD3  ARG  36           3HD      ARG  36  -7.287  -5.292   0.287
  271    HE   ARG  36           HE       ARG  36  -7.679  -3.676   2.620
  272   HH11  ARG  36          1HH2      ARG  36  -9.497  -4.420  -0.328
  273   HH12  ARG  36          2HH2      ARG  36 -10.929  -3.688   0.325
  274   HH21  ARG  36          1HH1      ARG  36  -9.548  -2.900   3.372
  275   HH22  ARG  36          2HH1      ARG  36 -10.987  -2.912   2.370
  276    H    LEU  37           H        LEU  37  -2.139  -2.595  -1.041
  277    HA   LEU  37           HA       LEU  37  -2.207  -0.429   1.012
  278    HB2  LEU  37           2HB      LEU  37  -0.344  -0.518  -1.376
  279    HB3  LEU  37           3HB      LEU  37  -0.365   0.599   0.013
  280    HG   LEU  37           HG       LEU  37   1.522  -0.649   0.263
  281   HD11  LEU  37          1HD1      LEU  37   0.176  -0.307   2.250
  282   HD12  LEU  37          2HD1      LEU  37  -0.435  -1.969   2.149
  283   HD13  LEU  37          3HD1      LEU  37   1.302  -1.674   2.392
  284   HD21  LEU  37          3HD2      LEU  37   0.020  -3.298   0.111
  285   HD22  LEU  37          1HD2      LEU  37   0.961  -2.587  -1.215
  286   HD23  LEU  37          2HD2      LEU  37   1.752  -3.025   0.317
  287    H    SER  38           H        SER  38  -2.863   1.686   0.266
  288    HA   SER  38           HA       SER  38  -3.775   1.832  -2.511
  289    HB2  SER  38           2HB      SER  38  -5.935   2.938  -1.878
  290    HB3  SER  38           3HB      SER  38  -5.855   1.220  -1.531
  291    HG   SER  38           HG       SER  38  -5.825   1.611   0.574
  292    H    LYS  39           H        LYS  39  -4.145   3.869  -3.383
  293    HA   LYS  39           HA       LYS  39  -2.930   6.172  -1.883
  294    HB2  LYS  39           2HB      LYS  39  -1.678   5.721  -3.877
  295    HB3  LYS  39           3HB      LYS  39  -3.144   5.674  -4.874
  296    HG2  LYS  39           2HG      LYS  39  -3.535   8.028  -4.605
  297    HG3  LYS  39           3HG      LYS  39  -2.314   8.152  -3.316
  298    HD2  LYS  39           2HD      LYS  39  -0.545   7.605  -4.935
  299    HD3  LYS  39           3HD      LYS  39  -1.753   7.454  -6.224
  300    HE2  LYS  39           2HE      LYS  39  -0.779   9.599  -6.495
  301    HE3  LYS  39           3HE      LYS  39  -2.388   9.868  -5.821
  302    HZ1  LYS  39           3HZ      LYS  39  -0.691  11.211  -4.699
  303    HZ2  LYS  39           1HZ      LYS  39  -1.315  10.145  -3.625
  304    HZ3  LYS  39           2HZ      LYS  39   0.168   9.879  -4.292
  305    H    LYS  40           H        LYS  40  -4.139   7.865  -1.387
  306    HA   LYS  40           HA       LYS  40  -6.996   7.936  -2.224
  307    HB2  LYS  40           2HB      LYS  40  -6.731   7.957   0.090
  308    HB3  LYS  40           3HB      LYS  40  -5.464   9.152   0.072
  309    HG2  LYS  40           2HG      LYS  40  -8.337   9.714  -0.830
  310    HG3  LYS  40           3HG      LYS  40  -7.814   9.850   0.843
  311    HD2  LYS  40           2HD      LYS  40  -7.030  11.610  -1.477
  312    HD3  LYS  40           3HD      LYS  40  -7.803  12.058   0.039
  313    HE2  LYS  40           2HE      LYS  40  -5.687  11.554   1.267
  314    HE3  LYS  40           3HE      LYS  40  -4.940  11.061  -0.258
  315    HZ1  LYS  40           3HZ      LYS  40  -5.756  13.805   0.456
  316    HZ2  LYS  40           1HZ      LYS  40  -4.243  13.231   0.141
  317    HZ3  LYS  40           2HZ      LYS  40  -5.306  13.355  -1.066
  318    H    MET  41           H        MET  41  -7.424   9.061  -4.020
  319    HA   MET  41           HA       MET  41  -6.382  11.789  -4.367
  320    HB2  MET  41           2HB      MET  41  -5.341  11.406  -6.552
  321    HB3  MET  41           3HB      MET  41  -4.493  10.527  -5.284
  322    HG2  MET  41           2HG      MET  41  -5.657   8.436  -5.957
  323    HG3  MET  41           3HG      MET  41  -6.504   9.320  -7.229
  324    HE1  MET  41           3HE      MET  41  -4.946   6.666  -7.709
  325    HE2  MET  41           1HE      MET  41  -5.837   7.581  -8.955
  326    HE3  MET  41           2HE      MET  41  -4.168   7.039  -9.264
  327    H    VAL  42           H        VAL  42  -7.752  13.083  -5.646
  328    HA   VAL  42           HA       VAL  42 -10.125  12.297  -6.768
  329    HB   VAL  42           HB       VAL  42  -8.238  14.337  -8.010
  330   HG11  VAL  42          1HG1      VAL  42 -10.344  15.429  -8.776
  331   HG12  VAL  42          2HG1      VAL  42 -10.122  13.839  -9.498
  332   HG13  VAL  42          3HG1      VAL  42 -11.272  14.047  -8.153
  333   HG21  VAL  42          3HG2      VAL  42 -10.331  14.663  -5.819
  334   HG22  VAL  42          1HG2      VAL  42  -8.575  14.920  -5.675
  335   HG23  VAL  42          2HG2      VAL  42  -9.535  16.005  -6.669
  336    H    ASP  43           H        ASP  43 -10.814  11.110  -8.479
  337    HA   ASP  43           HA       ASP  43  -8.961   9.571 -10.072
  338    HB2  ASP  43           2HB      ASP  43 -11.241   8.831  -9.355
  339    HB3  ASP  43           3HB      ASP  43 -11.946  10.003 -10.451
  340    HA   PRO  44           HA       PRO  44  -8.309  12.861 -13.033
  341    HB2  PRO  44           2HB      PRO  44  -6.753  11.555 -14.894
  342    HB3  PRO  44           3HB      PRO  44  -6.169  12.009 -13.264
  343    HG2  PRO  44           2HG      PRO  44  -7.313   9.329 -14.141
  344    HG3  PRO  44           3HG      PRO  44  -5.776   9.638 -13.263
  345    HD2  PRO  44           2HD      PRO  44  -8.020   8.938 -11.956
  346    HD3  PRO  44           3HD      PRO  44  -6.924  10.179 -11.272
  347    H    GLU  45           H        GLU  45 -10.105   9.997 -13.838
  348    HA   GLU  45           HA       GLU  45 -11.152  11.269 -16.350
  349    HB2  GLU  45           2HB      GLU  45 -11.242   8.370 -15.434
  350    HB3  GLU  45           3HB      GLU  45 -12.007   9.017 -16.887
  351    HG2  GLU  45           2HG      GLU  45  -9.760   9.762 -17.712
  352    HG3  GLU  45           3HG      GLU  45  -9.013   8.975 -16.321
  353    H    LYS  46           H        LYS  46 -11.854  10.909 -13.102
  354    HA   LYS  46           HA       LYS  46 -14.724  11.585 -13.483
  355    HB2  LYS  46           2HB      LYS  46 -13.742   9.345 -11.674
  356    HB3  LYS  46           3HB      LYS  46 -15.358  10.057 -11.628
  357    HG2  LYS  46           2HG      LYS  46 -15.775   9.348 -13.943
  358    HG3  LYS  46           3HG      LYS  46 -14.195   8.540 -13.994
  359    HD2  LYS  46           2HD      LYS  46 -16.306   7.958 -11.878
  360    HD3  LYS  46           3HD      LYS  46 -16.212   7.080 -13.422
  361    HE2  LYS  46           2HE      LYS  46 -13.835   6.457 -12.884
  362    HE3  LYS  46           3HE      LYS  46 -14.016   7.215 -11.300
  363    HZ1  LYS  46           3HZ      LYS  46 -14.426   4.829 -11.184
  364    HZ2  LYS  46           1HZ      LYS  46 -15.815   5.612 -10.832
  365    HZ3  LYS  46           2HZ      LYS  46 -15.617   4.913 -12.295
  366    HA   PRO  47           HA       PRO  47 -12.275  14.042 -10.303
  367    HB2  PRO  47           2HB      PRO  47 -12.647  16.580 -11.333
  368    HB3  PRO  47           3HB      PRO  47 -11.297  15.490 -11.775
  369    HG2  PRO  47           2HG      PRO  47 -13.924  15.882 -13.248
  370    HG3  PRO  47           3HG      PRO  47 -12.257  15.891 -13.923
  371    HD2  PRO  47           2HD      PRO  47 -13.793  13.680 -14.055
  372    HD3  PRO  47           3HD      PRO  47 -12.046  13.558 -13.686
  373    H    GLN  48           H        GLN  48 -15.505  14.202 -11.614
  374    HA   GLN  48           HA       GLN  48 -16.725  15.924  -9.675
  375    HB2  GLN  48           2HB      GLN  48 -17.862  13.689 -11.403
  376    HB3  GLN  48           3HB      GLN  48 -18.832  14.812 -10.437
  377    HG2  GLN  48           2HG      GLN  48 -17.872  16.732 -11.700
  378    HG3  GLN  48           3HG      GLN  48 -16.966  15.612 -12.718
  379   HE21  GLN  48          2HE2      GLN  48 -18.475  17.222 -14.168
  380   HE22  GLN  48          1HE2      GLN  48 -19.957  16.432 -14.688
  381    H    LEU  49           H        LEU  49 -15.671  12.535  -9.367
  382    HA   LEU  49           HA       LEU  49 -17.257  11.881  -7.040
  383    HB2  LEU  49           2HB      LEU  49 -14.473  11.053  -7.980
  384    HB3  LEU  49           3HB      LEU  49 -15.313  10.292  -6.641
  385    HG   LEU  49           HG       LEU  49 -16.314  10.277  -9.519
  386   HD11  LEU  49          1HD1      LEU  49 -14.951   8.169  -7.801
  387   HD12  LEU  49          2HD1      LEU  49 -15.554   7.928  -9.459
  388   HD13  LEU  49          3HD1      LEU  49 -14.196   9.038  -9.149
  389   HD21  LEU  49          3HD2      LEU  49 -17.244   8.842  -6.992
  390   HD22  LEU  49          1HD2      LEU  49 -18.159  10.049  -7.923
  391   HD23  LEU  49          2HD2      LEU  49 -17.810   8.470  -8.641
  392    H    GLY  50           H        GLY  50 -14.415  13.926  -7.442
  393    HA2  GLY  50           2HA      GLY  50 -12.840  14.740  -5.930
  394    HA3  GLY  50           3HA      GLY  50 -13.831  14.186  -4.575
  395    H    MET  51           H        MET  51 -12.267  13.031  -3.528
  396    HA   MET  51           HA       MET  51 -10.269  11.483  -4.746
  397    HB2  MET  51           2HB      MET  51 -10.823  11.027  -1.862
  398    HB3  MET  51           3HB      MET  51  -9.304  11.309  -2.689
  399    HG2  MET  51           2HG      MET  51 -11.388  13.359  -1.868
  400    HG3  MET  51           3HG      MET  51  -9.831  13.085  -1.107
  401    HE1  MET  51           3HE      MET  51  -7.595  14.158  -1.841
  402    HE2  MET  51           1HE      MET  51  -7.679  13.045  -3.230
  403    HE3  MET  51           2HE      MET  51  -7.302  14.765  -3.485
  404    H    ILE  52           H        ILE  52  -9.913   9.351  -4.921
  405    HA   ILE  52           HA       ILE  52 -11.781   7.444  -3.675
  406    HB   ILE  52           HB       ILE  52 -11.409   5.912  -5.679
  407   HG12  ILE  52          2HG1      ILE  52 -11.087   6.956  -7.875
  408   HG13  ILE  52          3HG1      ILE  52 -10.658   8.492  -7.126
  409   HG21  ILE  52          1HG2      ILE  52 -13.513   7.055  -5.141
  410   HG22  ILE  52          2HG2      ILE  52 -13.028   8.436  -6.163
  411   HG23  ILE  52          3HG2      ILE  52 -13.280   6.827  -6.881
  412   HD11  ILE  52          3HD1      ILE  52  -8.590   7.548  -6.258
  413   HD12  ILE  52          1HD1      ILE  52  -9.112   5.909  -6.691
  414   HD13  ILE  52          2HD1      ILE  52  -8.721   7.107  -7.956
  415    H    ASP  53           H        ASP  53 -10.819   5.206  -3.628
  416    HA   ASP  53           HA       ASP  53  -8.014   5.395  -2.597
  417    HB2  ASP  53           2HB      ASP  53 -10.293   3.570  -1.762
  418    HB3  ASP  53           3HB      ASP  53  -8.636   3.479  -1.167
  419    H    ARG  54           H        ARG  54  -6.929   4.912  -4.427
  420    HA   ARG  54           HA       ARG  54  -7.537   2.677  -6.230
  421    HB2  ARG  54           2HB      ARG  54  -6.067   5.063  -6.389
  422    HB3  ARG  54           3HB      ARG  54  -4.798   3.872  -6.265
  423    HG2  ARG  54           2HG      ARG  54  -5.228   4.350  -8.571
  424    HG3  ARG  54           3HG      ARG  54  -5.706   2.681  -8.241
  425    HD2  ARG  54           2HD      ARG  54  -8.038   3.241  -8.323
  426    HD3  ARG  54           3HD      ARG  54  -7.689   4.945  -7.990
  427    HE   ARG  54           HE       ARG  54  -6.594   4.225 -10.539
  428   HH11  ARG  54          1HH2      ARG  54  -9.706   4.893  -9.046
  429   HH12  ARG  54          2HH2      ARG  54 -10.257   5.822 -10.431
  430   HH21  ARG  54          1HH1      ARG  54  -7.499   5.300 -12.340
  431   HH22  ARG  54          2HH1      ARG  54  -9.128   5.923 -12.206
  432    H    TRP  55           H        TRP  55  -7.207   0.559  -5.583
  433    HA   TRP  55           HA       TRP  55  -5.242  -0.029  -3.485
  434    HB2  TRP  55           2HB      TRP  55  -7.261  -1.781  -4.893
  435    HB3  TRP  55           3HB      TRP  55  -6.143  -2.354  -3.666
  436    HD1  TRP  55           HD1      TRP  55  -9.472  -0.783  -4.026
  437    HE1  TRP  55           HE1      TRP  55 -10.479  -0.221  -1.742
  438    HE3  TRP  55           HE3      TRP  55  -5.326  -1.498  -1.089
  439    HZ2  TRP  55           HZ2      TRP  55  -9.577   0.047   0.989
  440    HZ3  TRP  55           HZ3      TRP  55  -5.406  -0.969   1.337
  441    HH2  TRP  55           HH2      TRP  55  -7.526  -0.220   2.389
  442    H    TYR  56           H        TYR  56  -3.609  -1.511  -3.544
  443    HA   TYR  56           HA       TYR  56  -2.454  -2.519  -6.073
  444    HB2  TYR  56           2HB      TYR  56  -1.044  -0.836  -3.957
  445    HB3  TYR  56           3HB      TYR  56  -0.294  -1.535  -5.387
  446    HD1  TYR  56           HD2      TYR  56  -1.149  -0.797  -7.665
  447    HD2  TYR  56           HD1      TYR  56  -2.057   1.343  -4.065
  448    HE1  TYR  56           HE2      TYR  56  -1.745   1.227  -9.030
  449    HE2  TYR  56           HE1      TYR  56  -2.684   3.343  -5.407
  450    HH   TYR  56           HH       TYR  56  -2.825   4.265  -7.517
  451    H    HIS  57           H        HIS  57  -0.940  -4.153  -5.798
  452    HA   HIS  57           HA       HIS  57  -1.016  -5.949  -3.464
  453    HB2  HIS  57           2HB      HIS  57   0.804  -5.876  -5.883
  454    HB3  HIS  57           3HB      HIS  57   0.931  -7.073  -4.626
  455    HD2  HIS  57           HD2      HIS  57  -1.489  -8.528  -4.144
  456    HE1  HIS  57           HE1      HIS  57  -2.528  -8.486  -8.259
  457    HE2  HIS  57           HE2      HIS  57  -2.951  -9.630  -6.065
  458    HA   PRO  58           HA       PRO  58   2.596  -4.255  -1.238
  459    HB2  PRO  58           2HB      PRO  58   3.510  -7.118  -1.034
  460    HB3  PRO  58           3HB      PRO  58   3.400  -5.871   0.250
  461    HG2  PRO  58           2HG      PRO  58   1.482  -7.753   0.085
  462    HG3  PRO  58           3HG      PRO  58   1.005  -6.031   0.290
  463    HD2  PRO  58           2HD      PRO  58   1.134  -7.632  -2.286
  464    HD3  PRO  58           3HD      PRO  58  -0.209  -6.641  -1.648
  465    H    GLY  59           H        GLY  59   3.208  -6.417  -3.960
  466    HA2  GLY  59           2HA      GLY  59   6.013  -5.549  -4.293
  467    HA3  GLY  59           3HA      GLY  59   5.056  -6.530  -5.410
  468    H    CYS  60           HN       CYS  60   2.873  -4.965  -5.959
  469    HA   CYS  60           HA       CYS  60   3.969  -3.348  -7.951
  470    HB2  CYS  60           2HB      CYS  60   1.090  -3.480  -6.995
  471    HB3  CYS  60           3HB      CYS  60   1.649  -2.975  -8.598
  472    H    PHE  61           H        PHE  61   2.383  -2.359  -4.877
  473    HA   PHE  61           HA       PHE  61   2.220   0.398  -5.574
  474    HB2  PHE  61           2HB      PHE  61   1.411   0.716  -3.525
  475    HB3  PHE  61           3HB      PHE  61   1.313  -1.039  -3.495
  476    HD1  PHE  61           HD2      PHE  61   3.171  -2.351  -2.427
  477    HD2  PHE  61           HD1      PHE  61   2.911   1.918  -2.109
  478    HE1  PHE  61           HE2      PHE  61   4.614  -2.430  -0.382
  479    HE2  PHE  61           HE1      PHE  61   4.348   1.860  -0.069
  480    HZ   PHE  61           HZ       PHE  61   5.191  -0.313   0.802
  481    H    VAL  62           H        VAL  62   4.958  -1.474  -4.263
  482    HA   VAL  62           HA       VAL  62   6.799   0.756  -4.131
  483    HB   VAL  62           HB       VAL  62   7.512  -2.164  -4.564
  484   HG11  VAL  62          1HG1      VAL  62   9.096   0.175  -3.420
  485   HG12  VAL  62          2HG1      VAL  62   9.643  -1.505  -3.495
  486   HG13  VAL  62          3HG1      VAL  62   9.389  -0.615  -4.987
  487   HG21  VAL  62          3HG2      VAL  62   7.885  -2.112  -2.036
  488   HG22  VAL  62          1HG2      VAL  62   6.962  -0.597  -2.016
  489   HG23  VAL  62          2HG2      VAL  62   6.205  -2.102  -2.562
  490    H    LYS  63           H        LYS  63   5.994  -1.545  -6.760
  491    HA   LYS  63           HA       LYS  63   7.936  -0.662  -8.635
  492    HB2  LYS  63           2HB      LYS  63   6.619  -2.736  -8.854
  493    HB3  LYS  63           3HB      LYS  63   5.145  -1.793  -9.075
  494    HG2  LYS  63           2HG      LYS  63   6.025  -0.861 -11.195
  495    HG3  LYS  63           3HG      LYS  63   7.504  -1.804 -10.978
  496    HD2  LYS  63           2HD      LYS  63   5.989  -2.908 -12.549
  497    HD3  LYS  63           3HD      LYS  63   6.233  -3.894 -11.114
  498    HE2  LYS  63           2HE      LYS  63   3.918  -3.991 -11.840
  499    HE3  LYS  63           3HE      LYS  63   4.017  -3.265 -10.240
  500    HZ1  LYS  63           3HZ      LYS  63   3.821  -1.635 -12.719
  501    HZ2  LYS  63           1HZ      LYS  63   2.507  -2.132 -11.892
  502    HZ3  LYS  63           2HZ      LYS  63   3.551  -1.125 -11.171
  503    H    ASN  64           H        ASN  64   4.728   0.715  -7.919
  504    HA   ASN  64           HA       ASN  64   5.298   2.974  -9.773
  505    HB2  ASN  64           2HB      ASN  64   2.651   3.281  -9.182
  506    HB3  ASN  64           3HB      ASN  64   3.351   2.612 -10.633
  507   HD21  ASN  64          1HD2      ASN  64   1.705   1.796  -7.596
  508   HD22  ASN  64          2HD2      ASN  64   1.245   0.200  -8.187
  509    H    ARG  65           H        ARG  65   6.210   2.536  -6.772
  510    HA   ARG  65           HA       ARG  65   5.098   4.374  -5.095
  511    HB2  ARG  65           2HB      ARG  65   7.249   4.450  -3.974
  512    HB3  ARG  65           3HB      ARG  65   7.060   2.855  -4.665
  513    HG2  ARG  65           2HG      ARG  65   8.403   3.742  -6.700
  514    HG3  ARG  65           3HG      ARG  65   8.772   5.156  -5.699
  515    HD2  ARG  65           2HD      ARG  65   9.927   3.807  -4.092
  516    HD3  ARG  65           3HD      ARG  65   9.413   2.304  -4.879
  517    HE   ARG  65           HE       ARG  65  11.610   4.059  -5.648
  518   HH11  ARG  65          1HH2      ARG  65   9.443   1.596  -6.942
  519   HH12  ARG  65          2HH2      ARG  65  10.551   1.212  -8.235
  520   HH21  ARG  65          1HH1      ARG  65  12.943   3.494  -7.322
  521   HH22  ARG  65          2HH1      ARG  65  12.464   2.251  -8.439
  522    H    GLU  66           H        GLU  66   7.185   5.139  -7.784
  523    HA   GLU  66           HA       GLU  66   7.540   7.941  -7.211
  524    HB2  GLU  66           2HB      GLU  66   8.651   7.936  -9.422
  525    HB3  GLU  66           3HB      GLU  66   9.233   6.656  -8.347
  526    HG2  GLU  66           2HG      GLU  66   7.871   4.978  -9.522
  527    HG3  GLU  66           3HG      GLU  66   7.185   6.212 -10.575
  528    H    GLU  67           H        GLU  67   5.175   6.092  -8.981
  529    HA   GLU  67           HA       GLU  67   3.821   8.367 -10.244
  530    HB2  GLU  67           2HB      GLU  67   2.799   5.564  -9.740
  531    HB3  GLU  67           3HB      GLU  67   2.123   6.752 -10.833
  532    HG2  GLU  67           2HG      GLU  67   4.762   5.270 -11.097
  533    HG3  GLU  67           3HG      GLU  67   3.288   4.967 -12.000
  534    H    LEU  68           H        LEU  68   3.470   6.209  -7.398
  535    HA   LEU  68           HA       LEU  68   1.102   7.494  -6.403
  536    HB2  LEU  68           2HB      LEU  68   3.081   5.739  -4.906
  537    HB3  LEU  68           3HB      LEU  68   1.445   6.131  -4.400
  538    HG   LEU  68           HG       LEU  68   2.271   4.389  -6.752
  539   HD11  LEU  68          1HD1      LEU  68   1.030   2.658  -5.529
  540   HD12  LEU  68          2HD1      LEU  68   2.348   3.326  -4.546
  541   HD13  LEU  68          3HD1      LEU  68   0.666   3.817  -4.239
  542   HD21  LEU  68          3HD2      LEU  68  -0.042   3.989  -7.238
  543   HD22  LEU  68          1HD2      LEU  68  -0.555   5.178  -6.018
  544   HD23  LEU  68          2HD2      LEU  68   0.327   5.684  -7.486
  545    H    GLY  69           H        GLY  69   4.484   8.294  -5.952
  546    HA2  GLY  69           2HA      GLY  69   4.941  10.643  -5.636
  547    HA3  GLY  69           3HA      GLY  69   3.568  10.785  -4.543
  548    H    PHE  70           H        PHE  70   5.766   8.055  -4.173
  549    HA   PHE  70           HA       PHE  70   6.502   8.821  -1.494
  550    HB2  PHE  70           2HB      PHE  70   7.313   6.611  -3.383
  551    HB3  PHE  70           3HB      PHE  70   8.202   6.869  -1.901
  552    HD1  PHE  70           HD1      PHE  70   4.859   5.872  -3.233
  553    HD2  PHE  70           HD2      PHE  70   7.323   6.374   0.253
  554    HE1  PHE  70           HE1      PHE  70   3.258   4.521  -1.901
  555    HE2  PHE  70           HE2      PHE  70   5.727   5.046   1.599
  556    HZ   PHE  70           HZ       PHE  70   3.683   4.107   0.514
  557    H    ARG  71           H        ARG  71   8.315   9.612  -0.655
  558    HA   ARG  71           HA       ARG  71  10.617  10.525  -2.299
  559    HB2  ARG  71           2HB      ARG  71   9.003  12.167  -0.283
  560    HB3  ARG  71           3HB      ARG  71  10.505  12.699  -1.017
  561    HG2  ARG  71           2HG      ARG  71   9.481  12.610  -3.271
  562    HG3  ARG  71           3HG      ARG  71   7.934  12.137  -2.540
  563    HD2  ARG  71           2HD      ARG  71   7.943  14.188  -1.177
  564    HD3  ARG  71           3HD      ARG  71   9.441  14.713  -1.939
  565    HE   ARG  71           HE       ARG  71   6.726  14.707  -3.098
  566   HH11  ARG  71          1HH2      ARG  71  10.125  15.057  -3.901
  567   HH12  ARG  71          2HH2      ARG  71   9.772  15.856  -5.408
  568   HH21  ARG  71          1HH1      ARG  71   6.360  15.735  -5.026
  569   HH22  ARG  71          2HH1      ARG  71   7.697  16.223  -6.021
  570    HA   PRO  72           HA       PRO  72  13.207   8.891   0.712
  571    HB2  PRO  72           2HB      PRO  72  14.410  11.553   1.461
  572    HB3  PRO  72           3HB      PRO  72  15.230  10.036   0.973
  573    HG2  PRO  72           2HG      PRO  72  14.950  12.046  -0.815
  574    HG3  PRO  72           3HG      PRO  72  14.599  10.359  -1.325
  575    HD2  PRO  72           2HD      PRO  72  12.627  12.497  -0.439
  576    HD3  PRO  72           3HD      PRO  72  12.556  11.444  -1.879
  577    H    GLU  73           H        GLU  73  11.394  11.583   2.071
  578    HA   GLU  73           HA       GLU  73  11.827  10.694   4.861
  579    HB2  GLU  73           2HB      GLU  73  10.795  12.761   5.520
  580    HB3  GLU  73           3HB      GLU  73  12.100  13.071   4.377
  581    HG2  GLU  73           2HG      GLU  73  10.387  13.308   2.543
  582    HG3  GLU  73           3HG      GLU  73   9.118  13.089   3.749
  583    H    TYR  74           H        TYR  74   9.908   9.773   2.385
  584    HA   TYR  74           HA       TYR  74   7.674   8.936   4.170
  585    HB2  TYR  74           2HB      TYR  74   7.588   8.851   1.163
  586    HB3  TYR  74           3HB      TYR  74   6.269   8.644   2.300
  587    HD1  TYR  74           HD2      TYR  74   6.945  11.236   4.014
  588    HD2  TYR  74           HD1      TYR  74   6.534  10.446  -0.202
  589    HE1  TYR  74           HE2      TYR  74   6.460  13.638   3.586
  590    HE2  TYR  74           HE1      TYR  74   6.139  12.804  -0.641
  591    HH   TYR  74           HH       TYR  74   5.843  14.918   0.297
  592    H    SER  75           H        SER  75   8.970   7.402   5.095
  593    HA   SER  75           HA       SER  75   9.798   4.989   3.609
  594    HB2  SER  75           2HB      SER  75  10.635   5.735   5.950
  595    HB3  SER  75           3HB      SER  75   9.059   5.199   6.545
  596    HG   SER  75           HG       SER  75  10.584   3.514   6.664
  597    H    ALA  76           H        ALA  76   8.624   2.921   4.229
  598    HA   ALA  76           HA       ALA  76   5.868   2.900   3.456
  599    HB1  ALA  76           1HB      ALA  76   5.916   0.577   4.247
  600    HB2  ALA  76           2HB      ALA  76   7.360   0.951   3.283
  601    HB3  ALA  76           3HB      ALA  76   7.472   0.861   5.059
  602    H    SER  77           H        SER  77   7.311   3.635   6.545
  603    HA   SER  77           HA       SER  77   5.002   3.092   8.193
  604    HB2  SER  77           2HB      SER  77   6.207   4.382   9.907
  605    HB3  SER  77           3HB      SER  77   7.224   3.144   9.144
  606    HG   SER  77           HG       SER  77   8.434   4.969   9.198
  607    H    GLN  78           H        GLN  78   5.547   5.590   5.874
  608    HA   GLN  78           HA       GLN  78   3.668   7.401   7.161
  609    HB2  GLN  78           2HB      GLN  78   5.308   7.636   4.639
  610    HB3  GLN  78           3HB      GLN  78   4.014   8.759   5.039
  611    HG2  GLN  78           2HG      GLN  78   6.188   9.666   5.676
  612    HG3  GLN  78           3HG      GLN  78   5.076   9.536   7.013
  613   HE21  GLN  78          2HE2      GLN  78   5.578   8.109   8.757
  614   HE22  GLN  78          1HE2      GLN  78   7.069   7.144   8.767
  615    H    LEU  79           H        LEU  79   3.074   4.570   5.839
  616    HA   LEU  79           HA       LEU  79   0.591   5.291   4.380
  617    HB2  LEU  79           2HB      LEU  79   1.849   2.657   5.243
  618    HB3  LEU  79           3HB      LEU  79   0.284   2.772   4.465
  619    HG   LEU  79           HG       LEU  79   2.686   3.944   3.048
  620   HD11  LEU  79          1HD1      LEU  79   3.068   1.785   1.920
  621   HD12  LEU  79          2HD1      LEU  79   3.432   1.665   3.641
  622   HD13  LEU  79          3HD1      LEU  79   1.925   0.992   3.017
  623   HD21  LEU  79          3HD2      LEU  79   0.282   2.424   1.982
  624   HD22  LEU  79          1HD2      LEU  79   0.293   4.170   2.252
  625   HD23  LEU  79          2HD2      LEU  79   1.413   3.454   1.082
  626    H    LYS  80           H        LYS  80  -1.400   5.370   5.336
  627    HA   LYS  80           HA       LYS  80  -1.864   5.441   8.115
  628    HB2  LYS  80           2HB      LYS  80  -3.901   4.371   6.120
  629    HB3  LYS  80           3HB      LYS  80  -4.228   5.098   7.686
  630    HG2  LYS  80           2HG      LYS  80  -3.473   7.284   6.851
  631    HG3  LYS  80           3HG      LYS  80  -3.093   6.544   5.276
  632    HD2  LYS  80           2HD      LYS  80  -5.663   5.745   5.458
  633    HD3  LYS  80           3HD      LYS  80  -5.768   7.127   6.563
  634    HE2  LYS  80           2HE      LYS  80  -4.765   8.565   4.757
  635    HE3  LYS  80           3HE      LYS  80  -4.734   7.147   3.692
  636    HZ1  LYS  80           3HZ      LYS  80  -7.201   8.338   4.869
  637    HZ2  LYS  80           1HZ      LYS  80  -6.730   8.526   3.320
  638    HZ3  LYS  80           2HZ      LYS  80  -7.171   7.051   3.864
  639    H    GLY  81           H        GLY  81  -2.316   3.901   9.666
  640    HA2  GLY  81           2HA      GLY  81  -2.698   1.856  10.677
  641    HA3  GLY  81           3HA      GLY  81  -3.445   1.349   9.160
  642    H    PHE  82           H        PHE  82  -0.123   2.172   8.720
  643    HA   PHE  82           HA       PHE  82   0.762  -0.419   8.007
  644    HB2  PHE  82           2HB      PHE  82   1.980   1.411   7.182
  645    HB3  PHE  82           3HB      PHE  82   2.046   2.217   8.737
  646    HD1  PHE  82           HD1      PHE  82   3.671   1.623  10.460
  647    HD2  PHE  82           HD2      PHE  82   3.754  -0.203   6.551
  648    HE1  PHE  82           HE1      PHE  82   6.006   0.884  10.857
  649    HE2  PHE  82           HE2      PHE  82   6.101  -0.912   6.948
  650    HZ   PHE  82           HZ       PHE  82   7.220  -0.388   9.098
  651    H    SER  83           H        SER  83   0.916   1.357  11.082
  652    HA   SER  83           HA       SER  83   2.513  -0.401  12.626
  653    HB2  SER  83           2HB      SER  83   1.451   0.837  14.530
  654    HB3  SER  83           3HB      SER  83   2.088   1.893  13.247
  655    HG   SER  83           HG       SER  83  -0.033   2.502  13.942
  656    H    LEU  84           H        LEU  84  -0.915  -0.569  11.806
  657    HA   LEU  84           HA       LEU  84  -1.649  -2.410  13.887
  658    HB2  LEU  84           2HB      LEU  84  -2.980  -0.577  12.438
  659    HB3  LEU  84           3HB      LEU  84  -3.220  -1.936  11.349
  660    HG   LEU  84           HG       LEU  84  -4.270  -3.199  13.300
  661   HD11  LEU  84          1HD1      LEU  84  -3.277  -1.967  15.191
  662   HD12  LEU  84          2HD1      LEU  84  -3.998  -0.454  14.615
  663   HD13  LEU  84          3HD1      LEU  84  -5.033  -1.771  15.224
  664   HD21  LEU  84          3HD2      LEU  84  -5.617  -2.004  11.611
  665   HD22  LEU  84          1HD2      LEU  84  -6.371  -1.903  13.211
  666   HD23  LEU  84          2HD2      LEU  84  -5.487  -0.504  12.555
  667    H    LEU  85           H        LEU  85  -0.026  -2.905  10.933
  668    HA   LEU  85           HA       LEU  85  -0.994  -5.607  10.343
  669    HB2  LEU  85           2HB      LEU  85   1.562  -4.202   9.504
  670    HB3  LEU  85           3HB      LEU  85   0.901  -5.657   8.779
  671    HG   LEU  85           HG       LEU  85  -0.467  -2.926   8.684
  672   HD11  LEU  85          1HD1      LEU  85   1.149  -4.405   6.570
  673   HD12  LEU  85          2HD1      LEU  85   0.272  -2.877   6.339
  674   HD13  LEU  85          3HD1      LEU  85   1.661  -2.941   7.436
  675   HD21  LEU  85          3HD2      LEU  85  -1.054  -5.451   7.149
  676   HD22  LEU  85          1HD2      LEU  85  -2.061  -4.779   8.451
  677   HD23  LEU  85          2HD2      LEU  85  -1.846  -3.879   6.940
  678    H    ALA  86           H        ALA  86   0.545  -7.513  10.404
  679    HA   ALA  86           HA       ALA  86   1.808  -7.917  12.959
  680    HB1  ALA  86           1HB      ALA  86   2.679  -9.995  11.854
  681    HB2  ALA  86           2HB      ALA  86   0.928  -9.793  11.705
  682    HB3  ALA  86           3HB      ALA  86   1.980  -9.427  10.318
  683    H    THR  87           H        THR  87   3.990  -7.973  13.529
  684    HA   THR  87           HA       THR  87   5.664  -5.950  12.607
  685    HB   THR  87           HB       THR  87   6.543  -8.531  13.931
  686    HG1  THR  87           1HG      THR  87   6.136  -7.384  15.839
  687   HG21  THR  87          1HG2      THR  87   7.739  -5.719  13.961
  688   HG22  THR  87          2HG2      THR  87   8.298  -7.080  14.963
  689   HG23  THR  87          3HG2      THR  87   8.467  -7.152  13.203
  690    H    GLU  88           H        GLU  88   5.669  -9.373  11.580
  691    HA   GLU  88           HA       GLU  88   8.018  -9.310   9.999
  692    HB2  GLU  88           2HB      GLU  88   7.232 -11.338   9.001
  693    HB3  GLU  88           3HB      GLU  88   6.889 -11.356  10.729
  694    HG2  GLU  88           2HG      GLU  88   4.505 -10.694  10.203
  695    HG3  GLU  88           3HG      GLU  88   4.890 -10.835   8.486
  696    H    ASP  89           H        ASP  89   4.770  -8.108   9.219
  697    HA   ASP  89           HA       ASP  89   5.482  -7.633   6.383
  698    HB2  ASP  89           2HB      ASP  89   3.032  -6.925   8.038
  699    HB3  ASP  89           3HB      ASP  89   3.265  -6.456   6.357
  700    H    LYS  90           H        LYS  90   5.177  -5.754   9.418
  701    HA   LYS  90           HA       LYS  90   5.669  -3.167   8.258
  702    HB2  LYS  90           2HB      LYS  90   6.043  -4.313  11.041
  703    HB3  LYS  90           3HB      LYS  90   6.439  -2.633  10.673
  704    HG2  LYS  90           2HG      LYS  90   4.270  -1.984  10.406
  705    HG3  LYS  90           3HG      LYS  90   3.770  -3.507   9.688
  706    HD2  LYS  90           2HD      LYS  90   2.621  -3.240  11.755
  707    HD3  LYS  90           3HD      LYS  90   3.743  -4.590  11.887
  708    HE2  LYS  90           2HE      LYS  90   5.315  -3.185  13.169
  709    HE3  LYS  90           3HE      LYS  90   4.232  -1.795  12.975
  710    HZ1  LYS  90           3HZ      LYS  90   3.879  -2.917  15.123
  711    HZ2  LYS  90           1HZ      LYS  90   2.525  -3.011  14.203
  712    HZ3  LYS  90           2HZ      LYS  90   3.495  -4.317  14.371
  713    H    GLU  91           H        GLU  91   8.018  -5.581   9.508
  714    HA   GLU  91           HA       GLU  91  10.278  -3.886   8.781
  715    HB2  GLU  91           2HB      GLU  91  11.696  -5.744   9.246
  716    HB3  GLU  91           3HB      GLU  91  10.499  -5.572  10.527
  717    HG2  GLU  91           2HG      GLU  91   9.227  -7.457   9.658
  718    HG3  GLU  91           3HG      GLU  91  10.285  -7.592   8.256
  719    H    ALA  92           H        ALA  92   8.464  -6.418   6.992
  720    HA   ALA  92           HA       ALA  92  10.340  -6.535   4.817
  721    HB1  ALA  92           1HB      ALA  92   8.559  -7.780   3.680
  722    HB2  ALA  92           2HB      ALA  92   8.813  -8.359   5.336
  723    HB3  ALA  92           3HB      ALA  92   7.411  -7.325   4.958
  724    H    LEU  93           H        LEU  93   7.360  -4.599   5.303
  725    HA   LEU  93           HA       LEU  93   7.297  -3.429   2.687
  726    HB2  LEU  93           2HB      LEU  93   6.233  -2.576   5.401
  727    HB3  LEU  93           3HB      LEU  93   5.935  -1.642   3.936
  728    HG   LEU  93           HG       LEU  93   5.105  -4.558   4.197
  729   HD11  LEU  93          1HD1      LEU  93   3.470  -2.023   4.645
  730   HD12  LEU  93          2HD1      LEU  93   2.858  -3.693   4.664
  731   HD13  LEU  93          3HD1      LEU  93   3.992  -3.160   5.910
  732   HD21  LEU  93          3HD2      LEU  93   4.273  -2.344   2.278
  733   HD22  LEU  93          1HD2      LEU  93   5.285  -3.752   1.878
  734   HD23  LEU  93          2HD2      LEU  93   3.593  -3.985   2.337
  735    H    LYS  94           H        LYS  94   8.900  -2.300   5.727
  736    HA   LYS  94           HA       LYS  94  10.128   0.012   4.517
  737    HB2  LYS  94           2HB      LYS  94  10.895  -1.695   6.924
  738    HB3  LYS  94           3HB      LYS  94  11.746  -0.224   6.434
  739    HG2  LYS  94           2HG      LYS  94   9.581   1.048   6.630
  740    HG3  LYS  94           3HG      LYS  94   8.836  -0.391   7.332
  741    HD2  LYS  94           2HD      LYS  94  11.291   1.059   8.414
  742    HD3  LYS  94           3HD      LYS  94   9.652   1.270   9.034
  743    HE2  LYS  94           2HE      LYS  94   9.569  -0.896   9.979
  744    HE3  LYS  94           3HE      LYS  94  10.897  -1.499   8.984
  745    HZ1  LYS  94           3HZ      LYS  94  12.454  -0.220  10.186
  746    HZ2  LYS  94           1HZ      LYS  94  11.304   0.602  11.032
  747    HZ3  LYS  94           2HZ      LYS  94  11.562  -0.982  11.332
  748    H    LYS  95           H        LYS  95  11.237  -3.388   4.911
  749    HA   LYS  95           HA       LYS  95  13.770  -2.858   3.702
  750    HB2  LYS  95           2HB      LYS  95  12.270  -5.410   4.286
  751    HB3  LYS  95           3HB      LYS  95  13.727  -5.455   3.285
  752    HG2  LYS  95           2HG      LYS  95  15.020  -4.272   4.997
  753    HG3  LYS  95           3HG      LYS  95  13.619  -4.192   6.064
  754    HD2  LYS  95           2HD      LYS  95  14.806  -6.822   5.063
  755    HD3  LYS  95           3HD      LYS  95  15.369  -5.993   6.522
  756    HE2  LYS  95           2HE      LYS  95  13.073  -6.061   7.459
  757    HE3  LYS  95           3HE      LYS  95  12.517  -6.970   6.049
  758    HZ1  LYS  95           3HZ      LYS  95  13.156  -8.353   8.045
  759    HZ2  LYS  95           1HZ      LYS  95  13.957  -8.784   6.672
  760    HZ3  LYS  95           2HZ      LYS  95  14.701  -7.908   7.836
  761    H    GLN  96           H        GLN  96  10.718  -3.400   2.125
  762    HA   GLN  96           HA       GLN  96  11.996  -3.637  -0.524
  763    HB2  GLN  96           2HB      GLN  96   9.877  -4.902   0.322
  764    HB3  GLN  96           3HB      GLN  96   9.038  -3.376   0.074
  765    HG2  GLN  96           2HG      GLN  96   8.701  -4.693  -1.886
  766    HG3  GLN  96           3HG      GLN  96   9.839  -3.432  -2.339
  767   HE21  GLN  96          2HE2      GLN  96  10.005  -5.212  -4.160
  768   HE22  GLN  96          1HE2      GLN  96  11.279  -6.393  -3.894
  769    H    LEU  97           H        LEU  97  10.304  -1.223   1.450
  770    HA   LEU  97           HA       LEU  97  11.098   0.944  -0.424
  771    HB2  LEU  97           2HB      LEU  97   8.773   0.246  -0.867
  772    HB3  LEU  97           3HB      LEU  97   8.363   0.485   0.828
  773    HG   LEU  97           HG       LEU  97   8.897   2.960   0.544
  774   HD11  LEU  97          1HD1      LEU  97  10.384   2.814  -1.431
  775   HD12  LEU  97          2HD1      LEU  97   9.014   2.218  -2.399
  776   HD13  LEU  97          3HD1      LEU  97   8.988   3.862  -1.724
  777   HD21  LEU  97          3HD2      LEU  97   6.837   3.357  -0.831
  778   HD22  LEU  97          1HD2      LEU  97   6.790   1.629  -1.187
  779   HD23  LEU  97          2HD2      LEU  97   6.642   2.199   0.499
  780    HA   PRO  98           HA       PRO  98  12.009   2.034   3.940
  781    HB2  PRO  98           2HB      PRO  98  14.760   2.292   3.815
  782    HB3  PRO  98           3HB      PRO  98  13.890   0.772   4.136
  783    HG2  PRO  98           2HG      PRO  98  15.325   1.593   1.670
  784    HG3  PRO  98           3HG      PRO  98  14.837  -0.041   2.221
  785    HD2  PRO  98           2HD      PRO  98  13.528   1.669   0.279
  786    HD3  PRO  98           3HD      PRO  98  13.091   0.021   0.802
  787    H    GLY  99           H        GLY  99  12.123   4.182   4.727
  788    HA2  GLY  99           2HA      GLY  99  12.827   6.430   2.944
  789    HA3  GLY  99           3HA      GLY  99  12.211   6.519   4.588
  790    H    VAL 100           H        VAL 100  13.939   8.141   4.509
  791    HA   VAL 100           HA       VAL 100  16.702   7.459   4.506
  792    HB   VAL 100           HB       VAL 100  16.051   9.673   3.995
  793   HG11  VAL 100          1HG1      VAL 100  15.224  10.124   6.884
  794   HG12  VAL 100          2HG1      VAL 100  15.226  11.316   5.572
  795   HG13  VAL 100          3HG1      VAL 100  14.091   9.962   5.526
  796   HG21  VAL 100          3HG2      VAL 100  18.299   9.319   4.950
  797   HG22  VAL 100          1HG2      VAL 100  17.669  10.944   5.249
  798   HG23  VAL 100          2HG2      VAL 100  17.673   9.754   6.561
  799    H    LYS 101           H        LYS 101  18.000   6.652   5.826
  800    HA   LYS 101           HA       LYS 101  17.211   6.130   8.649
  801    HB2  LYS 101           2HB      LYS 101  17.183   4.338   6.643
  802    HB3  LYS 101           3HB      LYS 101  18.870   4.148   7.118
  803    HG2  LYS 101           2HG      LYS 101  18.201   3.606   9.403
  804    HG3  LYS 101           3HG      LYS 101  16.519   4.051   9.061
  805    HD2  LYS 101           2HD      LYS 101  17.934   1.747   7.663
  806    HD3  LYS 101           3HD      LYS 101  16.982   1.575   9.148
  807    HE2  LYS 101           2HE      LYS 101  15.007   2.563   8.007
  808    HE3  LYS 101           3HE      LYS 101  15.921   2.630   6.492
  809    HZ1  LYS 101           3HZ      LYS 101  14.542   0.613   6.666
  810    HZ2  LYS 101           1HZ      LYS 101  16.130   0.195   6.610
  811    HZ3  LYS 101           2HZ      LYS 101  15.313   0.144   8.024
  812    H    SER 102           H        SER 102  19.213   8.063   7.197
  813    HA   SER 102           HA       SER 102  21.831   7.341   7.760
  814    HB2  SER 102           2HB      SER 102  20.724  10.164   7.582
  815    HB3  SER 102           3HB      SER 102  22.395   9.651   7.269
  816    HG   SER 102           HG       SER 102  21.221   9.837   5.323
  817    H    GLU 103           H        GLU 103  19.600   8.505  10.160
  818    HA   GLU 103           HA       GLU 103  21.600   9.495  12.039
  819    HB2  GLU 103           2HB      GLU 103  18.741   8.533  12.451
  820    HB3  GLU 103           3HB      GLU 103  19.755   9.264  13.701
  821    HG2  GLU 103           2HG      GLU 103  20.004  11.297  12.199
  822    HG3  GLU 103           3HG      GLU 103  18.759  10.598  11.158
  823    H    GLY 104           H        GLY 104  20.823   6.301  11.013
  824    HA2  GLY 104           2HA      GLY 104  21.799   4.303  11.563
  825    HA3  GLY 104           3HA      GLY 104  22.797   5.141  12.751
  826    H    LYS 105           H        LYS 105  20.295   6.098  14.186
  827    HA   LYS 105           HA       LYS 105  19.799   3.753  15.893
  828    HB2  LYS 105           2HB      LYS 105  18.778   6.625  16.024
  829    HB3  LYS 105           3HB      LYS 105  18.518   5.389  17.261
  830    HG2  LYS 105           2HG      LYS 105  20.965   5.194  17.604
  831    HG3  LYS 105           3HG      LYS 105  21.238   6.468  16.401
  832    HD2  LYS 105           2HD      LYS 105  19.861   8.035  17.769
  833    HD3  LYS 105           3HD      LYS 105  19.686   6.793  19.014
  834    HE2  LYS 105           2HE      LYS 105  22.341   7.955  18.040
  835    HE3  LYS 105           3HE      LYS 105  21.466   8.520  19.464
  836    HZ1  LYS 105           3HZ      LYS 105  23.172   6.941  20.094
  837    HZ2  LYS 105           1HZ      LYS 105  21.715   6.294  20.429
  838    HZ3  LYS 105           2HZ      LYS 105  22.563   5.780  19.127
  839    H    ARG 106           H        ARG 106  18.349   4.872  13.102
  840    HA   ARG 106           HA       ARG 106  15.540   4.442  13.712
  841    HB2  ARG 106           2HB      ARG 106  17.057   5.000  11.144
  842    HB3  ARG 106           3HB      ARG 106  15.292   4.867  11.229
  843    HG2  ARG 106           2HG      ARG 106  15.160   6.767  12.754
  844    HG3  ARG 106           3HG      ARG 106  16.930   6.919  12.776
  845    HD2  ARG 106           2HD      ARG 106  16.970   7.380  10.376
  846    HD3  ARG 106           3HD      ARG 106  15.224   7.081  10.258
  847    HE   ARG 106           HE       ARG 106  16.223   9.283  12.029
  848   HH11  ARG 106          1HH2      ARG 106  14.657   8.577   8.948
  849   HH12  ARG 106          2HH2      ARG 106  13.845  10.124   8.963
  850   HH21  ARG 106          1HH1      ARG 106  15.436  11.161  11.850
  851   HH22  ARG 106          2HH1      ARG 106  14.337  11.636  10.552
  852    H    LYS 107           H        LYS 107  16.584   2.182  14.505
  853    HA   LYS 107           HA       LYS 107  16.055   0.092  12.418
  854    HB2  LYS 107           2HB      LYS 107  17.991  -0.011  14.763
  855    HB3  LYS 107           3HB      LYS 107  17.728  -1.304  13.599
  856    HG2  LYS 107           2HG      LYS 107  18.867   1.445  12.947
  857    HG3  LYS 107           3HG      LYS 107  19.805  -0.021  13.173
  858    HD2  LYS 107           2HD      LYS 107  17.714   0.341  10.982
  859    HD3  LYS 107           3HD      LYS 107  19.442   0.630  10.781
  860    HE2  LYS 107           2HE      LYS 107  19.960  -1.703  11.298
  861    HE3  LYS 107           3HE      LYS 107  18.263  -2.044  11.647
  862    HZ1  LYS 107           3HZ      LYS 107  17.722  -1.552   9.332
  863    HZ2  LYS 107           1HZ      LYS 107  19.294  -1.205   8.989
  864    HZ3  LYS 107           2HZ      LYS 107  18.862  -2.726   9.392
  865    H    GLY 108           H        GLY 108  14.045   1.273  14.194
  866    HA2  GLY 108           2HA      GLY 108  13.136  -0.577  16.146
  867    HA3  GLY 108           3HA      GLY 108  12.113   0.466  15.157
  868    H    ASP 109           H        ASP 109  12.730  -2.641  15.939
  869    HA   ASP 109           HA       ASP 109  12.352  -4.707  15.195
  870    HB2  ASP 109           2HB      ASP 109  10.283  -3.439  13.386
  871    HB3  ASP 109           3HB      ASP 109  10.438  -5.164  13.707
  872    H    GLU 110           H        GLU 110  14.428  -3.065  13.838
  873    HA   GLU 110           HA       GLU 110  15.051  -5.072  11.689
  874    HB2  GLU 110           2HB      GLU 110  15.913  -2.167  11.892
  875    HB3  GLU 110           3HB      GLU 110  16.511  -3.330  10.707
  876    HG2  GLU 110           2HG      GLU 110  14.304  -3.542   9.700
  877    HG3  GLU 110           3HG      GLU 110  13.596  -2.492  10.936
  878    H    VAL 111           H        VAL 111  16.022  -3.668  14.684
  879    HA   VAL 111           HA       VAL 111  18.812  -4.485  14.528
  880    HB   VAL 111           HB       VAL 111  17.946  -2.439  15.674
  881   HG11  VAL 111          1HG1      VAL 111  17.083  -2.560  17.942
  882   HG12  VAL 111          2HG1      VAL 111  15.995  -3.412  16.838
  883   HG13  VAL 111          3HG1      VAL 111  17.091  -4.333  17.893
  884   HG21  VAL 111          3HG2      VAL 111  19.603  -4.164  17.529
  885   HG22  VAL 111          1HG2      VAL 111  20.226  -3.307  16.099
  886   HG23  VAL 111          2HG2      VAL 111  19.529  -2.398  17.450
  887    H    ASP 112           H        ASP 112  16.090  -6.237  15.092
  888    HA   ASP 112           HA       ASP 112  16.921  -8.013  17.237
  889    HB2  ASP 112           2HB      ASP 112  14.565  -7.526  16.761
  890    HB3  ASP 112           3HB      ASP 112  14.707  -8.276  15.175
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -1.793   8.915  21.261
    2    H2   GLY   1           H2       GLY   1  -2.901   7.816  21.756
    3    H3   GLY   1           H3       GLY   1  -1.992   7.521  20.425
    4    HA2  GLY   1           2HA      GLY   1  -0.960   7.732  23.181
    5    HA3  GLY   1           3HA      GLY   1  -1.201   6.214  22.295
    6    H    SER   2           H        SER   2   1.279   7.582  23.410
    7    HA   SER   2           HA       SER   2   2.809   8.722  21.304
    8    HB2  SER   2           2HB      SER   2   4.690   8.506  22.910
    9    HB3  SER   2           3HB      SER   2   3.232   9.223  23.614
   10    HG   SER   2           HG       SER   2   4.059   7.675  25.019
   11    H    LYS   3           H        LYS   3   2.195   5.395  21.849
   12    HA   LYS   3           HA       LYS   3   4.638   4.375  20.558
   13    HB2  LYS   3           2HB      LYS   3   2.099   3.101  21.636
   14    HB3  LYS   3           3HB      LYS   3   3.249   2.187  20.675
   15    HG2  LYS   3           2HG      LYS   3   3.657   1.791  23.006
   16    HG3  LYS   3           3HG      LYS   3   5.045   2.589  22.267
   17    HD2  LYS   3           2HD      LYS   3   4.467   4.706  23.325
   18    HD3  LYS   3           3HD      LYS   3   2.937   4.031  23.937
   19    HE2  LYS   3           2HE      LYS   3   4.218   2.414  25.310
   20    HE3  LYS   3           3HE      LYS   3   5.735   3.060  24.671
   21    HZ1  LYS   3           3HZ      LYS   3   3.767   4.608  26.273
   22    HZ2  LYS   3           1HZ      LYS   3   5.201   4.050  26.821
   23    HZ3  LYS   3           2HZ      LYS   3   5.159   5.210  25.671
   24    H    ALA   4           H        ALA   4   1.757   5.713  19.329
   25    HA   ALA   4           HA       ALA   4   1.620   4.153  16.867
   26    HB1  ALA   4           1HB      ALA   4   0.388   6.838  17.613
   27    HB2  ALA   4           2HB      ALA   4  -0.060   5.823  16.227
   28    HB3  ALA   4           3HB      ALA   4  -0.360   5.244  17.875
   29    H    GLU   5           H        GLU   5   1.828   5.213  14.717
   30    HA   GLU   5           HA       GLU   5   4.099   7.157  14.541
   31    HB2  GLU   5           2HB      GLU   5   3.599   4.726  12.784
   32    HB3  GLU   5           3HB      GLU   5   4.773   6.007  12.451
   33    HG2  GLU   5           2HG      GLU   5   5.879   5.518  14.656
   34    HG3  GLU   5           3HG      GLU   5   4.791   4.143  14.863
   35    H    LYS   6           H        LYS   6   4.077   8.634  12.859
   36    HA   LYS   6           HA       LYS   6   1.428   9.584  12.134
   37    HB2  LYS   6           2HB      LYS   6   3.259  11.071  12.888
   38    HB3  LYS   6           3HB      LYS   6   4.202  10.651  11.447
   39    HG2  LYS   6           2HG      LYS   6   2.473  11.613  10.011
   40    HG3  LYS   6           3HG      LYS   6   1.458  11.987  11.420
   41    HD2  LYS   6           2HD      LYS   6   3.256  13.534  12.219
   42    HD3  LYS   6           3HD      LYS   6   4.195  13.174  10.760
   43    HE2  LYS   6           2HE      LYS   6   1.409  14.431  10.865
   44    HE3  LYS   6           3HE      LYS   6   2.919  15.293  10.558
   45    HZ1  LYS   6           3HZ      LYS   6   3.180  13.948   8.527
   46    HZ2  LYS   6           1HZ      LYS   6   1.744  13.199   8.790
   47    HZ3  LYS   6           2HZ      LYS   6   1.790  14.805   8.487
   48    H    THR   7           H        THR   7   0.558   9.913  10.122
   49    HA   THR   7           HA       THR   7   1.718   8.492   7.750
   50    HB   THR   7           HB       THR   7  -1.125   9.468   8.119
   51    HG1  THR   7           1HG      THR   7  -0.645   7.826   9.617
   52   HG21  THR   7          1HG2      THR   7  -0.257   7.238   6.277
   53   HG22  THR   7          2HG2      THR   7  -1.732   8.220   6.244
   54   HG23  THR   7          3HG2      THR   7  -0.213   8.892   5.716
   55    H    LEU   8           H        LEU   8   1.925   9.700   5.771
   56    HA   LEU   8           HA       LEU   8   2.053  12.591   6.017
   57    HB2  LEU   8           2HB      LEU   8   2.947  12.685   3.962
   58    HB3  LEU   8           3HB      LEU   8   3.383  11.048   4.413
   59    HG   LEU   8           HG       LEU   8   1.068  11.869   2.583
   60   HD11  LEU   8          1HD1      LEU   8   3.686  10.513   1.903
   61   HD12  LEU   8          2HD1      LEU   8   2.384  10.940   0.778
   62   HD13  LEU   8          3HD1      LEU   8   3.302  12.219   1.590
   63   HD21  LEU   8          3HD2      LEU   8   2.128   9.132   3.358
   64   HD22  LEU   8          1HD2      LEU   8   0.514   9.751   3.695
   65   HD23  LEU   8          2HD2      LEU   8   0.988   9.435   2.025
   66    H    GLY   9           H        GLY   9  -0.670  10.601   5.498
   67    HA2  GLY   9           2HA      GLY   9  -2.901  11.245   5.402
   68    HA3  GLY   9           3HA      GLY   9  -2.434  12.900   5.029
   69    H    ASP  10           H        ASP  10  -1.358  10.045   3.117
   70    HA   ASP  10           HA       ASP  10  -3.175  10.818   0.916
   71    HB2  ASP  10           2HB      ASP  10  -0.636  11.884   0.999
   72    HB3  ASP  10           3HB      ASP  10  -0.356  10.402   0.073
   73    H    PHE  11           H        PHE  11  -1.155   8.283   2.374
   74    HA   PHE  11           HA       PHE  11  -2.614   6.339   0.725
   75    HB2  PHE  11           2HB      PHE  11  -0.359   5.078   0.403
   76    HB3  PHE  11           3HB      PHE  11  -0.877   6.320  -0.686
   77    HD1  PHE  11           HD1      PHE  11   1.204   6.216   2.503
   78    HD2  PHE  11           HD2      PHE  11   0.738   7.676  -1.533
   79    HE1  PHE  11           HE1      PHE  11   3.488   7.162   2.573
   80    HE2  PHE  11           HE2      PHE  11   2.994   8.692  -1.419
   81    HZ   PHE  11           HZ       PHE  11   4.378   8.410   0.630
   82    H    ALA  12           H        ALA  12  -2.602   4.184   1.452
   83    HA   ALA  12           HA       ALA  12  -2.450   3.939   4.421
   84    HB1  ALA  12           1HB      ALA  12  -4.813   3.301   2.613
   85    HB2  ALA  12           2HB      ALA  12  -4.762   3.115   4.373
   86    HB3  ALA  12           3HB      ALA  12  -4.688   4.736   3.644
   87    H    ALA  13           H        ALA  13  -2.563   1.811   5.268
   88    HA   ALA  13           HA       ALA  13  -2.084  -0.483   3.423
   89    HB1  ALA  13           1HB      ALA  13   0.055   0.558   4.214
   90    HB2  ALA  13           2HB      ALA  13  -0.435   0.251   5.889
   91    HB3  ALA  13           3HB      ALA  13  -0.158  -1.112   4.773
   92    H    GLU  14           H        GLU  14  -3.147  -2.317   4.007
   93    HA   GLU  14           HA       GLU  14  -3.749  -2.976   6.807
   94    HB2  GLU  14           2HB      GLU  14  -6.187  -3.218   6.408
   95    HB3  GLU  14           3HB      GLU  14  -5.644  -1.547   6.376
   96    HG2  GLU  14           2HG      GLU  14  -5.752  -1.497   3.923
   97    HG3  GLU  14           3HG      GLU  14  -6.123  -3.224   3.878
   98    H    TYR  15           H        TYR  15  -4.869  -5.210   6.938
   99    HA   TYR  15           HA       TYR  15  -4.041  -7.039   4.788
  100    HB2  TYR  15           2HB      TYR  15  -5.914  -7.448   7.135
  101    HB3  TYR  15           3HB      TYR  15  -5.339  -8.701   6.046
  102    HD1  TYR  15           HD2      TYR  15  -2.320  -7.262   6.154
  103    HD2  TYR  15           HD1      TYR  15  -5.177  -8.882   8.970
  104    HE1  TYR  15           HE2      TYR  15  -0.474  -7.907   7.657
  105    HE2  TYR  15           HE1      TYR  15  -3.318  -9.452  10.508
  106    HH   TYR  15           HH       TYR  15  -1.081  -9.482  10.823
  107    H    ALA  16           H        ALA  16  -5.222  -7.841   3.177
  108    HA   ALA  16           HA       ALA  16  -7.627  -6.601   2.256
  109    HB1  ALA  16           1HB      ALA  16  -6.255  -9.188   1.519
  110    HB2  ALA  16           2HB      ALA  16  -7.519  -8.390   0.550
  111    HB3  ALA  16           3HB      ALA  16  -5.941  -7.601   0.793
  112    H    LYS  17           H        LYS  17  -9.415  -6.725   3.539
  113    HA   LYS  17           HA       LYS  17 -10.208  -8.997   5.087
  114    HB2  LYS  17           2HB      LYS  17 -10.808  -6.601   5.486
  115    HB3  LYS  17           3HB      LYS  17 -11.904  -6.662   4.097
  116    HG2  LYS  17           2HG      LYS  17 -13.266  -8.387   5.225
  117    HG3  LYS  17           3HG      LYS  17 -12.112  -8.437   6.574
  118    HD2  LYS  17           2HD      LYS  17 -12.622  -6.062   7.093
  119    HD3  LYS  17           3HD      LYS  17 -13.772  -6.014   5.737
  120    HE2  LYS  17           2HE      LYS  17 -15.099  -7.826   6.802
  121    HE3  LYS  17           3HE      LYS  17 -13.952  -7.882   8.146
  122    HZ1  LYS  17           3HZ      LYS  17 -15.891  -6.527   8.694
  123    HZ2  LYS  17           1HZ      LYS  17 -14.562  -5.581   8.676
  124    HZ3  LYS  17           2HZ      LYS  17 -15.623  -5.528   7.432
  125    H    SER  18           H        SER  18 -10.895  -8.161   1.765
  126    HA   SER  18           HA       SER  18 -12.231 -10.767   1.301
  127    HB2  SER  18           2HB      SER  18 -13.411  -8.091   0.441
  128    HB3  SER  18           3HB      SER  18 -14.004  -9.688  -0.051
  129    HG   SER  18           HG       SER  18 -15.188  -8.819   1.718
  130    H    ASN  19           H        ASN  19 -12.074 -11.500  -0.849
  131    HA   ASN  19           HA       ASN  19  -9.894 -10.432  -2.474
  132    HB2  ASN  19           2HB      ASN  19 -10.252 -12.860  -2.101
  133    HB3  ASN  19           3HB      ASN  19 -11.839 -12.727  -2.885
  134   HD21  ASN  19          2HD2      ASN  19  -8.612 -11.392  -3.950
  135   HD22  ASN  19          1HD2      ASN  19  -8.626 -12.358  -5.414
  136    H    ARG  20           H        ARG  20 -11.525  -8.394  -2.353
  137    HA   ARG  20           HA       ARG  20 -12.957  -8.283  -4.978
  138    HB2  ARG  20           2HB      ARG  20 -13.947  -7.191  -2.308
  139    HB3  ARG  20           3HB      ARG  20 -14.720  -6.881  -3.861
  140    HG2  ARG  20           2HG      ARG  20 -14.402  -9.640  -2.594
  141    HG3  ARG  20           3HG      ARG  20 -15.859  -8.652  -2.559
  142    HD2  ARG  20           2HD      ARG  20 -16.062  -8.752  -4.992
  143    HD3  ARG  20           3HD      ARG  20 -14.561  -9.654  -5.136
  144    HE   ARG  20           HE       ARG  20 -17.157 -10.649  -4.115
  145   HH11  ARG  20          1HH2      ARG  20 -13.785 -11.493  -4.749
  146   HH12  ARG  20          2HH2      ARG  20 -14.149 -13.198  -4.747
  147   HH21  ARG  20          1HH1      ARG  20 -17.496 -12.830  -4.083
  148   HH22  ARG  20          2HH1      ARG  20 -16.172 -13.928  -4.344
  149    H    SER  21           H        SER  21 -10.762  -6.679  -2.845
  150    HA   SER  21           HA       SER  21 -10.637  -4.205  -4.409
  151    HB2  SER  21           2HB      SER  21  -8.330  -4.065  -3.305
  152    HB3  SER  21           3HB      SER  21  -9.748  -3.976  -2.256
  153    HG   SER  21           HG       SER  21  -8.307  -6.389  -2.753
  154    H    THR  22           H        THR  22  -9.099  -3.737  -6.020
  155    HA   THR  22           HA       THR  22  -7.643  -6.037  -7.260
  156    HB   THR  22           HB       THR  22  -9.241  -3.942  -8.737
  157    HG1  THR  22           1HG      THR  22 -10.588  -5.499  -7.851
  158   HG21  THR  22          1HG2      THR  22  -7.283  -4.700 -10.065
  159   HG22  THR  22          2HG2      THR  22  -7.801  -6.387  -9.834
  160   HG23  THR  22          3HG2      THR  22  -8.808  -5.262 -10.759
  161    H    CYS  23           HN       CYS  23  -5.637  -5.587  -7.953
  162    HA   CYS  23           HA       CYS  23  -4.410  -3.149  -7.017
  163    HB2  CYS  23           2HB      CYS  23  -3.294  -5.238  -6.764
  164    HB3  CYS  23           3HB      CYS  23  -3.542  -5.634  -8.466
  165    H    LYS  24           H        LYS  24  -4.612  -1.313  -8.142
  166    HA   LYS  24           HA       LYS  24  -4.898  -1.158 -11.064
  167    HB2  LYS  24           2HB      LYS  24  -4.616   0.802  -8.776
  168    HB3  LYS  24           3HB      LYS  24  -4.399   1.343 -10.444
  169    HG2  LYS  24           2HG      LYS  24  -6.671   1.720  -9.892
  170    HG3  LYS  24           3HG      LYS  24  -6.613   0.422 -11.068
  171    HD2  LYS  24           2HD      LYS  24  -7.168  -1.229  -9.386
  172    HD3  LYS  24           3HD      LYS  24  -6.847  -0.085  -8.077
  173    HE2  LYS  24           2HE      LYS  24  -9.220  -0.330  -8.272
  174    HE3  LYS  24           3HE      LYS  24  -8.781   1.297  -8.795
  175    HZ1  LYS  24           3HZ      LYS  24  -8.989   0.521 -11.115
  176    HZ2  LYS  24           1HZ      LYS  24  -9.413  -0.981 -10.603
  177    HZ3  LYS  24           2HZ      LYS  24 -10.383   0.289 -10.304
  178    H    GLY  25           H        GLY  25  -2.264  -1.668  -9.038
  179    HA2  GLY  25           2HA      GLY  25  -0.152  -0.457 -10.628
  180    HA3  GLY  25           3HA      GLY  25   0.027  -1.694  -9.380
  181    H    CYS  26           HN       CYS  26  -1.764  -3.619 -10.760
  182    HA   CYS  26           HA       CYS  26  -0.383  -4.082 -13.333
  183    HB2  CYS  26           2HB      CYS  26   0.247  -6.336 -12.864
  184    HB3  CYS  26           3HB      CYS  26   0.948  -5.283 -11.637
  185    H    MET  27           H        MET  27  -3.341  -4.015 -11.852
  186    HA   MET  27           HA       MET  27  -5.407  -4.605 -12.357
  187    HB2  MET  27           2HB      MET  27  -4.395  -5.037 -15.173
  188    HB3  MET  27           3HB      MET  27  -6.093  -4.981 -14.716
  189    HG2  MET  27           2HG      MET  27  -4.326  -2.644 -13.983
  190    HG3  MET  27           3HG      MET  27  -4.813  -2.869 -15.649
  191    HE1  MET  27           3HE      MET  27  -7.850  -2.023 -12.235
  192    HE2  MET  27           1HE      MET  27  -7.387  -3.701 -12.568
  193    HE3  MET  27           2HE      MET  27  -6.167  -2.544 -11.986
  194    H    GLU  28           H        GLU  28  -4.376  -6.352 -10.848
  195    HA   GLU  28           HA       GLU  28  -5.851  -8.783 -11.665
  196    HB2  GLU  28           2HB      GLU  28  -3.081  -8.890 -10.396
  197    HB3  GLU  28           3HB      GLU  28  -4.221 -10.234 -10.482
  198    HG2  GLU  28           2HG      GLU  28  -4.242  -9.940 -13.014
  199    HG3  GLU  28           3HG      GLU  28  -2.884  -8.826 -12.820
  200    H    LYS  29           H        LYS  29  -6.800  -9.920  -9.891
  201    HA   LYS  29           HA       LYS  29  -7.699  -8.016  -7.913
  202    HB2  LYS  29           2HB      LYS  29  -9.267  -9.676  -7.165
  203    HB3  LYS  29           3HB      LYS  29  -9.300  -9.499  -8.917
  204    HG2  LYS  29           2HG      LYS  29  -7.970 -11.596  -9.152
  205    HG3  LYS  29           3HG      LYS  29  -7.964 -11.779  -7.387
  206    HD2  LYS  29           2HD      LYS  29 -10.465 -11.810  -7.409
  207    HD3  LYS  29           3HD      LYS  29 -10.447 -11.735  -9.171
  208    HE2  LYS  29           2HE      LYS  29  -9.184 -13.957  -7.492
  209    HE3  LYS  29           3HE      LYS  29 -10.796 -14.029  -8.199
  210    HZ1  LYS  29           3HZ      LYS  29  -8.276 -13.801  -9.758
  211    HZ2  LYS  29           1HZ      LYS  29  -9.202 -15.135  -9.628
  212    HZ3  LYS  29           2HZ      LYS  29  -9.778 -13.825 -10.408
  213    H    ILE  30           H        ILE  30  -7.307  -7.784  -5.844
  214    HA   ILE  30           HA       ILE  30  -4.825  -8.902  -4.816
  215    HB   ILE  30           HB       ILE  30  -6.848  -6.888  -3.871
  216   HG12  ILE  30          2HG1      ILE  30  -3.871  -6.564  -4.420
  217   HG13  ILE  30          3HG1      ILE  30  -5.064  -6.480  -5.707
  218   HG21  ILE  30          1HG2      ILE  30  -6.040  -8.030  -1.804
  219   HG22  ILE  30          2HG2      ILE  30  -4.368  -7.643  -2.291
  220   HG23  ILE  30          3HG2      ILE  30  -5.548  -6.354  -1.944
  221   HD11  ILE  30          3HD1      ILE  30  -4.495  -4.257  -5.004
  222   HD12  ILE  30          1HD1      ILE  30  -6.183  -4.588  -4.593
  223   HD13  ILE  30          2HD1      ILE  30  -4.929  -4.604  -3.322
  224    H    GLU  31           H        GLU  31  -4.489 -10.500  -3.367
  225    HA   GLU  31           HA       GLU  31  -6.624 -12.389  -2.936
  226    HB2  GLU  31           2HB      GLU  31  -3.845 -12.456  -1.726
  227    HB3  GLU  31           3HB      GLU  31  -4.976 -13.794  -1.925
  228    HG2  GLU  31           2HG      GLU  31  -4.775 -13.365  -4.459
  229    HG3  GLU  31           3HG      GLU  31  -3.421 -12.295  -4.048
  230    H    LYS  32           H        LYS  32  -7.646 -12.971  -1.096
  231    HA   LYS  32           HA       LYS  32  -7.913 -11.103   1.108
  232    HB2  LYS  32           2HB      LYS  32  -9.769 -12.520   0.347
  233    HB3  LYS  32           3HB      LYS  32  -8.876 -13.980   0.797
  234    HG2  LYS  32           2HG      LYS  32  -8.945 -13.331   3.170
  235    HG3  LYS  32           3HG      LYS  32  -9.730 -11.795   2.749
  236    HD2  LYS  32           2HD      LYS  32 -11.691 -13.003   1.919
  237    HD3  LYS  32           3HD      LYS  32 -10.889 -14.562   2.231
  238    HE2  LYS  32           2HE      LYS  32 -10.775 -14.055   4.637
  239    HE3  LYS  32           3HE      LYS  32 -11.484 -12.462   4.362
  240    HZ1  LYS  32           3HZ      LYS  32 -13.517 -13.554   3.603
  241    HZ2  LYS  32           1HZ      LYS  32 -12.867 -15.039   3.829
  242    HZ3  LYS  32           2HZ      LYS  32 -13.152 -14.065   5.107
  243    H    GLY  33           H        GLY  33  -7.238 -11.229   3.185
  244    HA2  GLY  33           2HA      GLY  33  -6.130 -11.923   5.086
  245    HA3  GLY  33           3HA      GLY  33  -5.852 -13.492   4.329
  246    H    GLN  34           H        GLN  34  -4.590 -10.908   2.478
  247    HA   GLN  34           HA       GLN  34  -1.955 -10.880   3.830
  248    HB2  GLN  34           2HB      GLN  34  -0.745 -11.111   1.742
  249    HB3  GLN  34           3HB      GLN  34  -1.723 -12.521   2.091
  250    HG2  GLN  34           2HG      GLN  34  -1.923 -12.198  -0.239
  251    HG3  GLN  34           3HG      GLN  34  -3.449 -11.657   0.431
  252   HE21  GLN  34          1HE2      GLN  34  -4.102  -9.516  -0.133
  253   HE22  GLN  34          2HE2      GLN  34  -2.926  -8.295  -0.650
  254    H    VAL  35           H        VAL  35  -0.571  -8.999   2.833
  255    HA   VAL  35           HA       VAL  35  -2.010  -6.654   3.597
  256    HB   VAL  35           HB       VAL  35   0.725  -6.924   2.308
  257   HG11  VAL  35          1HG1      VAL  35  -0.011  -4.594   2.071
  258   HG12  VAL  35          2HG1      VAL  35  -0.514  -4.552   3.781
  259   HG13  VAL  35          3HG1      VAL  35   1.200  -4.707   3.338
  260   HG21  VAL  35          3HG2      VAL  35   0.576  -8.104   4.461
  261   HG22  VAL  35          1HG2      VAL  35   1.555  -6.646   4.613
  262   HG23  VAL  35          2HG2      VAL  35  -0.113  -6.653   5.217
  263    H    ARG  36           H        ARG  36  -2.871  -4.959   2.545
  264    HA   ARG  36           HA       ARG  36  -2.412  -4.607  -0.353
  265    HB2  ARG  36           2HB      ARG  36  -4.689  -4.059  -0.828
  266    HB3  ARG  36           3HB      ARG  36  -4.562  -5.697  -0.174
  267    HG2  ARG  36           2HG      ARG  36  -5.490  -5.012   1.956
  268    HG3  ARG  36           3HG      ARG  36  -5.488  -3.315   1.467
  269    HD2  ARG  36           2HD      ARG  36  -7.071  -3.839  -0.383
  270    HD3  ARG  36           3HD      ARG  36  -7.090  -5.530   0.128
  271    HE   ARG  36           HE       ARG  36  -7.847  -3.592   2.229
  272   HH11  ARG  36          1HH2      ARG  36  -9.237  -5.513  -0.390
  273   HH12  ARG  36          2HH2      ARG  36 -10.798  -5.508   0.383
  274   HH21  ARG  36          1HH1      ARG  36  -9.749  -3.600   3.053
  275   HH22  ARG  36          2HH1      ARG  36 -11.125  -4.386   2.279
  276    H    LEU  37           H        LEU  37  -2.072  -2.552  -0.987
  277    HA   LEU  37           HA       LEU  37  -2.207  -0.408   1.079
  278    HB2  LEU  37           2HB      LEU  37  -0.365  -0.389  -1.328
  279    HB3  LEU  37           3HB      LEU  37  -0.404   0.690   0.084
  280    HG   LEU  37           HG       LEU  37   1.520  -0.485   0.309
  281   HD11  LEU  37          1HD1      LEU  37   1.340  -1.610   2.392
  282   HD12  LEU  37          2HD1      LEU  37   0.127  -0.315   2.303
  283   HD13  LEU  37          3HD1      LEU  37  -0.372  -2.007   2.117
  284   HD21  LEU  37          3HD2      LEU  37   0.118  -3.173  -0.012
  285   HD22  LEU  37          1HD2      LEU  37   1.093  -2.355  -1.255
  286   HD23  LEU  37          2HD2      LEU  37   1.833  -2.856   0.284
  287    H    SER  38           H        SER  38  -2.806   1.726   0.332
  288    HA   SER  38           HA       SER  38  -3.744   1.944  -2.438
  289    HB2  SER  38           2HB      SER  38  -5.924   2.931  -1.806
  290    HB3  SER  38           3HB      SER  38  -5.779   1.247  -1.316
  291    HG   SER  38           HG       SER  38  -6.592   2.340   0.424
  292    H    LYS  39           H        LYS  39  -4.186   4.099  -3.155
  293    HA   LYS  39           HA       LYS  39  -3.051   6.296  -1.451
  294    HB2  LYS  39           2HB      LYS  39  -1.475   5.887  -3.222
  295    HB3  LYS  39           3HB      LYS  39  -2.756   5.893  -4.443
  296    HG2  LYS  39           2HG      LYS  39  -3.157   8.266  -4.128
  297    HG3  LYS  39           3HG      LYS  39  -2.038   8.333  -2.746
  298    HD2  LYS  39           2HD      LYS  39  -0.146   7.851  -4.163
  299    HD3  LYS  39           3HD      LYS  39  -1.212   7.480  -5.534
  300    HE2  LYS  39           2HE      LYS  39  -0.524   9.548  -6.151
  301    HE3  LYS  39           3HE      LYS  39  -2.026   9.944  -5.314
  302    HZ1  LYS  39           3HZ      LYS  39   0.687  10.069  -4.104
  303    HZ2  LYS  39           1HZ      LYS  39  -0.136  11.368  -4.664
  304    HZ3  LYS  39           2HZ      LYS  39  -0.715  10.575  -3.371
  305    H    LYS  40           H        LYS  40  -4.268   8.059  -1.186
  306    HA   LYS  40           HA       LYS  40  -6.998   8.132  -2.310
  307    HB2  LYS  40           2HB      LYS  40  -6.954   8.481  -0.030
  308    HB3  LYS  40           3HB      LYS  40  -5.630   9.609  -0.082
  309    HG2  LYS  40           2HG      LYS  40  -8.359  10.168  -1.389
  310    HG3  LYS  40           3HG      LYS  40  -8.045  10.481   0.313
  311    HD2  LYS  40           2HD      LYS  40  -6.911  11.906  -2.079
  312    HD3  LYS  40           3HD      LYS  40  -7.790  12.569  -0.709
  313    HE2  LYS  40           2HE      LYS  40  -5.838  12.190   0.771
  314    HE3  LYS  40           3HE      LYS  40  -4.985  11.389  -0.556
  315    HZ1  LYS  40           3HZ      LYS  40  -5.609  14.259  -0.401
  316    HZ2  LYS  40           1HZ      LYS  40  -4.140  13.498  -0.518
  317    HZ3  LYS  40           2HZ      LYS  40  -5.129  13.512  -1.791
  318    H    MET  41           H        MET  41  -7.194   8.931  -4.282
  319    HA   MET  41           HA       MET  41  -6.241  11.604  -4.931
  320    HB2  MET  41           2HB      MET  41  -4.915  11.004  -6.906
  321    HB3  MET  41           3HB      MET  41  -4.164  10.447  -5.418
  322    HG2  MET  41           2HG      MET  41  -5.061   8.157  -5.837
  323    HG3  MET  41           3HG      MET  41  -5.759   8.730  -7.357
  324    HE1  MET  41           3HE      MET  41  -3.957   6.228  -7.080
  325    HE2  MET  41           1HE      MET  41  -4.649   6.826  -8.610
  326    HE3  MET  41           2HE      MET  41  -2.921   6.396  -8.521
  327    H    VAL  42           H        VAL  42  -7.407  12.525  -6.714
  328    HA   VAL  42           HA       VAL  42  -9.703  11.333  -7.730
  329    HB   VAL  42           HB       VAL  42  -7.882  13.301  -9.167
  330   HG11  VAL  42          1HG1      VAL  42 -10.789  12.548  -9.696
  331   HG12  VAL  42          2HG1      VAL  42  -9.950  13.943 -10.413
  332   HG13  VAL  42          3HG1      VAL  42  -9.400  12.314 -10.790
  333   HG21  VAL  42          3HG2      VAL  42  -8.681  14.194  -7.011
  334   HG22  VAL  42          1HG2      VAL  42  -9.488  15.006  -8.349
  335   HG23  VAL  42          2HG2      VAL  42 -10.353  13.757  -7.432
  336    H    ASP  43           H        ASP  43 -10.114   9.726  -9.182
  337    HA   ASP  43           HA       ASP  43  -8.007   8.030 -10.080
  338    HB2  ASP  43           2HB      ASP  43 -10.351   7.324  -9.584
  339    HB3  ASP  43           3HB      ASP  43 -10.884   8.140 -11.044
  340    HA   PRO  44           HA       PRO  44  -6.911  10.558 -13.599
  341    HB2  PRO  44           2HB      PRO  44  -4.945   8.996 -14.734
  342    HB3  PRO  44           3HB      PRO  44  -4.729   9.878 -13.191
  343    HG2  PRO  44           2HG      PRO  44  -5.549   6.969 -13.561
  344    HG3  PRO  44           3HG      PRO  44  -4.242   7.624 -12.516
  345    HD2  PRO  44           2HD      PRO  44  -6.682   7.049 -11.530
  346    HD3  PRO  44           3HD      PRO  44  -5.797   8.505 -10.978
  347    H    GLU  45           H        GLU  45  -8.360   7.439 -13.895
  348    HA   GLU  45           HA       GLU  45  -8.867   7.744 -16.831
  349    HB2  GLU  45           2HB      GLU  45  -9.107   5.344 -14.974
  350    HB3  GLU  45           3HB      GLU  45  -9.513   5.348 -16.690
  351    HG2  GLU  45           2HG      GLU  45  -7.219   5.752 -17.334
  352    HG3  GLU  45           3HG      GLU  45  -6.722   6.033 -15.666
  353    H    LYS  46           H        LYS  46 -10.251   8.312 -13.817
  354    HA   LYS  46           HA       LYS  46 -12.975   8.692 -14.938
  355    HB2  LYS  46           2HB      LYS  46 -12.400   7.163 -12.369
  356    HB3  LYS  46           3HB      LYS  46 -13.986   7.740 -12.877
  357    HG2  LYS  46           2HG      LYS  46 -13.873   6.318 -14.894
  358    HG3  LYS  46           3HG      LYS  46 -12.325   5.649 -14.338
  359    HD2  LYS  46           2HD      LYS  46 -14.886   5.595 -12.689
  360    HD3  LYS  46           3HD      LYS  46 -14.396   4.282 -13.782
  361    HE2  LYS  46           2HE      LYS  46 -12.250   4.053 -12.509
  362    HE3  LYS  46           3HE      LYS  46 -12.802   5.289 -11.377
  363    HZ1  LYS  46           3HZ      LYS  46 -13.272   3.074 -10.526
  364    HZ2  LYS  46           1HZ      LYS  46 -14.692   3.824 -10.823
  365    HZ3  LYS  46           2HZ      LYS  46 -14.143   2.679 -11.848
  366    HA   PRO  47           HA       PRO  47 -11.204  12.083 -12.204
  367    HB2  PRO  47           2HB      PRO  47 -11.328  14.211 -13.963
  368    HB3  PRO  47           3HB      PRO  47  -9.940  13.096 -13.794
  369    HG2  PRO  47           2HG      PRO  47 -12.209  12.956 -15.809
  370    HG3  PRO  47           3HG      PRO  47 -10.442  12.823 -16.112
  371    HD2  PRO  47           2HD      PRO  47 -11.995  10.625 -15.910
  372    HD3  PRO  47           3HD      PRO  47 -10.349  10.661 -15.205
  373    H    GLN  48           H        GLN  48 -14.203  11.405 -13.611
  374    HA   GLN  48           HA       GLN  48 -15.676  13.754 -12.643
  375    HB2  GLN  48           2HB      GLN  48 -16.323  12.519 -14.694
  376    HB3  GLN  48           3HB      GLN  48 -16.551  11.050 -13.744
  377    HG2  GLN  48           2HG      GLN  48 -18.685  12.094 -14.317
  378    HG3  GLN  48           3HG      GLN  48 -18.465  12.038 -12.579
  379   HE21  GLN  48          2HE2      GLN  48 -17.980  14.091 -11.444
  380   HE22  GLN  48          1HE2      GLN  48 -18.433  15.615 -12.218
  381    H    LEU  49           H        LEU  49 -14.579  10.649 -11.364
  382    HA   LEU  49           HA       LEU  49 -16.637  10.199  -9.467
  383    HB2  LEU  49           2HB      LEU  49 -15.194   8.612 -10.719
  384    HB3  LEU  49           3HB      LEU  49 -13.769   9.253  -9.887
  385    HG   LEU  49           HG       LEU  49 -14.451   8.352  -7.806
  386   HD11  LEU  49          1HD1      LEU  49 -16.956   7.436  -9.282
  387   HD12  LEU  49          2HD1      LEU  49 -16.463   6.835  -7.672
  388   HD13  LEU  49          3HD1      LEU  49 -16.873   8.541  -7.886
  389   HD21  LEU  49          3HD2      LEU  49 -13.211   6.973  -9.389
  390   HD22  LEU  49          1HD2      LEU  49 -14.345   5.938  -8.484
  391   HD23  LEU  49          2HD2      LEU  49 -14.721   6.432 -10.156
  392    H    GLY  50           H        GLY  50 -13.804  12.232  -9.372
  393    HA2  GLY  50           2HA      GLY  50 -12.828  13.474  -7.660
  394    HA3  GLY  50           3HA      GLY  50 -14.034  12.867  -6.523
  395    H    MET  51           H        MET  51 -12.156  12.672  -5.126
  396    HA   MET  51           HA       MET  51  -9.947  11.030  -5.613
  397    HB2  MET  51           2HB      MET  51 -10.887  11.729  -2.832
  398    HB3  MET  51           3HB      MET  51  -9.248  11.545  -3.457
  399    HG2  MET  51           2HG      MET  51  -9.949  13.634  -4.970
  400    HG3  MET  51           3HG      MET  51 -11.182  13.847  -3.731
  401    HE1  MET  51           3HE      MET  51  -7.699  14.578  -4.920
  402    HE2  MET  51           1HE      MET  51  -6.658  14.457  -3.481
  403    HE3  MET  51           2HE      MET  51  -7.451  13.004  -4.148
  404    H    ILE  52           H        ILE  52  -9.624   8.918  -5.453
  405    HA   ILE  52           HA       ILE  52 -11.524   7.282  -3.845
  406    HB   ILE  52           HB       ILE  52 -10.987   5.378  -5.318
  407   HG12  ILE  52          2HG1      ILE  52  -9.857   7.337  -7.348
  408   HG13  ILE  52          3HG1      ILE  52  -8.814   6.431  -6.257
  409   HG21  ILE  52          1HG2      ILE  52 -12.517   5.958  -7.059
  410   HG22  ILE  52          2HG2      ILE  52 -13.021   6.707  -5.533
  411   HG23  ILE  52          3HG2      ILE  52 -12.245   7.698  -6.812
  412   HD11  ILE  52          3HD1      ILE  52  -9.729   4.296  -7.053
  413   HD12  ILE  52          1HD1      ILE  52 -10.756   5.166  -8.221
  414   HD13  ILE  52          2HD1      ILE  52  -8.996   5.256  -8.348
  415    H    ASP  53           H        ASP  53 -10.674   5.372  -2.998
  416    HA   ASP  53           HA       ASP  53  -7.818   5.546  -2.123
  417    HB2  ASP  53           2HB      ASP  53 -10.106   3.782  -1.161
  418    HB3  ASP  53           3HB      ASP  53  -8.437   3.655  -0.610
  419    H    ARG  54           H        ARG  54  -6.959   5.063  -4.212
  420    HA   ARG  54           HA       ARG  54  -7.868   2.758  -5.761
  421    HB2  ARG  54           2HB      ARG  54  -6.791   5.088  -6.457
  422    HB3  ARG  54           3HB      ARG  54  -5.267   4.214  -6.309
  423    HG2  ARG  54           2HG      ARG  54  -5.804   2.725  -8.069
  424    HG3  ARG  54           3HG      ARG  54  -7.539   3.120  -7.987
  425    HD2  ARG  54           2HD      ARG  54  -6.729   5.576  -8.548
  426    HD3  ARG  54           3HD      ARG  54  -5.296   4.757  -9.184
  427    HE   ARG  54           HE       ARG  54  -8.132   4.610 -10.163
  428   HH11  ARG  54          1HH2      ARG  54  -4.791   3.774 -10.964
  429   HH12  ARG  54          2HH2      ARG  54  -5.237   3.566 -12.644
  430   HH21  ARG  54          1HH1      ARG  54  -8.463   4.564 -12.235
  431   HH22  ARG  54          2HH1      ARG  54  -7.247   3.913 -13.341
  432    H    TRP  55           H        TRP  55  -7.235   0.673  -5.456
  433    HA   TRP  55           HA       TRP  55  -5.189   0.129  -3.444
  434    HB2  TRP  55           2HB      TRP  55  -7.141  -1.709  -4.843
  435    HB3  TRP  55           3HB      TRP  55  -6.023  -2.197  -3.579
  436    HD1  TRP  55           HD1      TRP  55  -9.359  -0.553  -4.088
  437    HE1  TRP  55           HE1      TRP  55 -10.442   0.034  -1.847
  438    HE3  TRP  55           HE3      TRP  55  -5.398  -1.532  -0.974
  439    HZ2  TRP  55           HZ2      TRP  55  -9.656   0.221   0.919
  440    HZ3  TRP  55           HZ3      TRP  55  -5.560  -1.001   1.444
  441    HH2  TRP  55           HH2      TRP  55  -7.680  -0.133   2.400
  442    H    TYR  56           H        TYR  56  -3.535  -1.316  -3.560
  443    HA   TYR  56           HA       TYR  56  -2.375  -2.254  -6.109
  444    HB2  TYR  56           2HB      TYR  56  -1.003  -0.455  -4.060
  445    HB3  TYR  56           3HB      TYR  56  -0.227  -1.190  -5.455
  446    HD1  TYR  56           HD1      TYR  56  -0.798  -0.451  -7.742
  447    HD2  TYR  56           HD2      TYR  56  -2.373   1.572  -4.303
  448    HE1  TYR  56           HE1      TYR  56  -1.462   1.470  -9.194
  449    HE2  TYR  56           HE2      TYR  56  -3.065   3.482  -5.744
  450    HH   TYR  56           HH       TYR  56  -2.466   3.513  -9.275
  451    H    HIS  57           H        HIS  57  -0.834  -3.900  -5.836
  452    HA   HIS  57           HA       HIS  57  -0.909  -5.591  -3.449
  453    HB2  HIS  57           2HB      HIS  57   0.843  -5.662  -5.907
  454    HB3  HIS  57           3HB      HIS  57   1.010  -6.814  -4.621
  455    HD2  HIS  57           HD2      HIS  57  -1.445  -8.198  -3.984
  456    HE1  HIS  57           HE1      HIS  57  -2.642  -8.271  -8.066
  457    HE2  HIS  57           HE2      HIS  57  -2.987  -9.337  -5.800
  458    HA   PRO  58           HA       PRO  58   2.729  -3.989  -1.246
  459    HB2  PRO  58           2HB      PRO  58   3.952  -6.292  -0.354
  460    HB3  PRO  58           3HB      PRO  58   2.487  -5.563   0.372
  461    HG2  PRO  58           2HG      PRO  58   2.633  -7.798  -1.676
  462    HG3  PRO  58           3HG      PRO  58   1.682  -7.746  -0.153
  463    HD2  PRO  58           2HD      PRO  58   0.506  -7.160  -2.485
  464    HD3  PRO  58           3HD      PRO  58   0.170  -6.145  -1.057
  465    H    GLY  59           H        GLY  59   3.244  -6.247  -3.904
  466    HA2  GLY  59           2HA      GLY  59   6.075  -5.445  -4.255
  467    HA3  GLY  59           3HA      GLY  59   5.107  -6.446  -5.338
  468    H    CYS  60           HN       CYS  60   2.942  -4.878  -5.950
  469    HA   CYS  60           HA       CYS  60   4.044  -3.311  -7.972
  470    HB2  CYS  60           2HB      CYS  60   1.168  -3.370  -6.996
  471    HB3  CYS  60           3HB      CYS  60   1.726  -2.885  -8.604
  472    H    PHE  61           H        PHE  61   2.501  -2.215  -4.906
  473    HA   PHE  61           HA       PHE  61   2.379   0.524  -5.676
  474    HB2  PHE  61           2HB      PHE  61   1.613   0.924  -3.623
  475    HB3  PHE  61           3HB      PHE  61   1.457  -0.821  -3.553
  476    HD1  PHE  61           HD1      PHE  61   3.292  -2.162  -2.457
  477    HD2  PHE  61           HD2      PHE  61   3.186   2.115  -2.270
  478    HE1  PHE  61           HE1      PHE  61   4.705  -2.233  -0.390
  479    HE2  PHE  61           HE2      PHE  61   4.579   2.069  -0.187
  480    HZ   PHE  61           HZ       PHE  61   5.327  -0.110   0.752
  481    H    VAL  62           H        VAL  62   5.088  -1.360  -4.349
  482    HA   VAL  62           HA       VAL  62   6.958   0.854  -4.264
  483    HB   VAL  62           HB       VAL  62   7.613  -2.094  -4.588
  484   HG11  VAL  62          1HG1      VAL  62   9.263   0.269  -3.586
  485   HG12  VAL  62          2HG1      VAL  62   9.763  -1.435  -3.532
  486   HG13  VAL  62          3HG1      VAL  62   9.533  -0.641  -5.089
  487   HG21  VAL  62          3HG2      VAL  62   7.189  -0.396  -2.090
  488   HG22  VAL  62          1HG2      VAL  62   6.300  -1.854  -2.579
  489   HG23  VAL  62          2HG2      VAL  62   7.981  -1.987  -2.092
  490    H    LYS  63           H        LYS  63   6.130  -1.513  -6.832
  491    HA   LYS  63           HA       LYS  63   8.063  -0.678  -8.738
  492    HB2  LYS  63           2HB      LYS  63   6.737  -2.750  -8.907
  493    HB3  LYS  63           3HB      LYS  63   5.263  -1.809  -9.126
  494    HG2  LYS  63           2HG      LYS  63   6.115  -0.924 -11.278
  495    HG3  LYS  63           3HG      LYS  63   7.593  -1.869 -11.064
  496    HD2  LYS  63           2HD      LYS  63   6.051  -3.001 -12.587
  497    HD3  LYS  63           3HD      LYS  63   6.305  -3.955 -11.133
  498    HE2  LYS  63           2HE      LYS  63   3.980  -4.053 -11.827
  499    HE3  LYS  63           3HE      LYS  63   4.104  -3.288 -10.247
  500    HZ1  LYS  63           3HZ      LYS  63   3.645  -1.167 -11.224
  501    HZ2  LYS  63           1HZ      LYS  63   3.890  -1.717 -12.761
  502    HZ3  LYS  63           2HZ      LYS  63   2.583  -2.182 -11.906
  503    H    ASN  64           H        ASN  64   4.888   0.747  -8.015
  504    HA   ASN  64           HA       ASN  64   5.467   2.991  -9.894
  505    HB2  ASN  64           2HB      ASN  64   2.821   3.306  -9.387
  506    HB3  ASN  64           3HB      ASN  64   3.542   2.566 -10.793
  507   HD21  ASN  64          1HD2      ASN  64   1.874   1.889  -7.726
  508   HD22  ASN  64          2HD2      ASN  64   1.410   0.271  -8.250
  509    H    ARG  65           H        ARG  65   6.476   2.596  -6.985
  510    HA   ARG  65           HA       ARG  65   5.337   4.459  -5.336
  511    HB2  ARG  65           2HB      ARG  65   7.390   4.560  -4.153
  512    HB3  ARG  65           3HB      ARG  65   7.285   2.955  -4.806
  513    HG2  ARG  65           2HG      ARG  65   8.922   3.447  -6.529
  514    HG3  ARG  65           3HG      ARG  65   8.896   5.173  -6.173
  515    HD2  ARG  65           2HD      ARG  65   9.720   3.232  -4.033
  516    HD3  ARG  65           3HD      ARG  65  10.844   3.774  -5.299
  517    HE   ARG  65           HE       ARG  65   9.464   6.010  -4.069
  518   HH11  ARG  65          1HH2      ARG  65  12.246   3.938  -3.591
  519   HH12  ARG  65          2HH2      ARG  65  13.123   5.173  -2.733
  520   HH21  ARG  65          1HH1      ARG  65  10.634   7.542  -3.038
  521   HH22  ARG  65          2HH1      ARG  65  12.223   7.157  -2.416
  522    H    GLU  66           H        GLU  66   7.375   5.197  -8.096
  523    HA   GLU  66           HA       GLU  66   7.604   8.026  -7.503
  524    HB2  GLU  66           2HB      GLU  66   8.637   8.166  -9.749
  525    HB3  GLU  66           3HB      GLU  66   9.394   6.994  -8.673
  526    HG2  GLU  66           2HG      GLU  66   8.292   5.134  -9.828
  527    HG3  GLU  66           3HG      GLU  66   7.402   6.259 -10.860
  528    H    GLU  67           H        GLU  67   5.264   6.079  -9.223
  529    HA   GLU  67           HA       GLU  67   3.873   8.365 -10.420
  530    HB2  GLU  67           2HB      GLU  67   3.883   6.122 -11.472
  531    HB3  GLU  67           3HB      GLU  67   2.968   5.491 -10.098
  532    HG2  GLU  67           2HG      GLU  67   1.088   6.966 -10.607
  533    HG3  GLU  67           3HG      GLU  67   2.023   7.782 -11.865
  534    H    LEU  68           H        LEU  68   3.576   6.223  -7.566
  535    HA   LEU  68           HA       LEU  68   1.289   7.614  -6.443
  536    HB2  LEU  68           2HB      LEU  68   3.298   5.717  -5.193
  537    HB3  LEU  68           3HB      LEU  68   1.786   6.224  -4.445
  538    HG   LEU  68           HG       LEU  68   2.065   4.557  -6.988
  539   HD11  LEU  68          1HD1      LEU  68   1.089   3.827  -4.202
  540   HD12  LEU  68          2HD1      LEU  68   1.116   2.756  -5.615
  541   HD13  LEU  68          3HD1      LEU  68   2.641   3.349  -4.926
  542   HD21  LEU  68          3HD2      LEU  68  -0.468   5.275  -5.485
  543   HD22  LEU  68          1HD2      LEU  68   0.007   5.939  -7.076
  544   HD23  LEU  68          2HD2      LEU  68  -0.316   4.221  -6.900
  545    H    GLY  69           H        GLY  69   4.736   8.289  -6.273
  546    HA2  GLY  69           2HA      GLY  69   5.445  10.522  -5.933
  547    HA3  GLY  69           3HA      GLY  69   4.028  10.861  -4.946
  548    H    PHE  70           H        PHE  70   5.953   7.988  -4.277
  549    HA   PHE  70           HA       PHE  70   6.384   8.740  -1.528
  550    HB2  PHE  70           2HB      PHE  70   7.290   6.490  -3.310
  551    HB3  PHE  70           3HB      PHE  70   7.921   6.640  -1.686
  552    HD1  PHE  70           HD1      PHE  70   4.844   5.908  -3.629
  553    HD2  PHE  70           HD2      PHE  70   6.604   6.250   0.258
  554    HE1  PHE  70           HE1      PHE  70   2.948   4.623  -2.660
  555    HE2  PHE  70           HE2      PHE  70   4.764   4.923   1.244
  556    HZ   PHE  70           HZ       PHE  70   2.913   4.110  -0.234
  557    H    ARG  71           H        ARG  71   7.821  10.087  -0.777
  558    HA   ARG  71           HA       ARG  71  10.652  10.135  -1.759
  559    HB2  ARG  71           2HB      ARG  71   9.013  12.163  -0.180
  560    HB3  ARG  71           3HB      ARG  71  10.756  12.239  -0.288
  561    HG2  ARG  71           2HG      ARG  71  10.696  12.519  -2.699
  562    HG3  ARG  71           3HG      ARG  71   8.948  12.248  -2.740
  563    HD2  ARG  71           2HD      ARG  71   9.523  14.657  -2.920
  564    HD3  ARG  71           3HD      ARG  71   8.507  14.282  -1.537
  565    HE   ARG  71           HE       ARG  71  10.218  14.844  -0.045
  566   HH11  ARG  71          1HH2      ARG  71  11.645  14.958  -3.263
  567   HH12  ARG  71          2HH2      ARG  71  13.088  15.717  -2.645
  568   HH21  ARG  71          1HH1      ARG  71  11.928  15.710   0.623
  569   HH22  ARG  71          2HH1      ARG  71  13.268  16.165  -0.440
  570    HA   PRO  72           HA       PRO  72  11.903   7.851   1.758
  571    HB2  PRO  72           2HB      PRO  72  14.207   9.097   2.664
  572    HB3  PRO  72           3HB      PRO  72  14.096   8.073   1.202
  573    HG2  PRO  72           2HG      PRO  72  13.922  11.098   1.374
  574    HG3  PRO  72           3HG      PRO  72  14.919  10.106   0.259
  575    HD2  PRO  72           2HD      PRO  72  12.570  11.116  -0.564
  576    HD3  PRO  72           3HD      PRO  72  13.002   9.438  -0.993
  577    H    GLU  73           H        GLU  73  11.451  11.330   2.380
  578    HA   GLU  73           HA       GLU  73  11.323  11.098   5.244
  579    HB2  GLU  73           2HB      GLU  73  10.357  13.315   5.185
  580    HB3  GLU  73           3HB      GLU  73  11.687  13.210   4.031
  581    HG2  GLU  73           2HG      GLU  73   9.912  12.792   2.214
  582    HG3  GLU  73           3HG      GLU  73   8.706  13.216   3.428
  583    H    TYR  74           H        TYR  74   9.089  10.033   2.836
  584    HA   TYR  74           HA       TYR  74   7.323   9.033   4.928
  585    HB2  TYR  74           2HB      TYR  74   5.265   9.785   3.599
  586    HB3  TYR  74           3HB      TYR  74   6.066  10.886   4.674
  587    HD1  TYR  74           HD2      TYR  74   6.634  10.017   1.028
  588    HD2  TYR  74           HD1      TYR  74   5.847  13.049   3.991
  589    HE1  TYR  74           HE2      TYR  74   6.589  11.772  -0.759
  590    HE2  TYR  74           HE1      TYR  74   5.830  14.786   2.217
  591    HH   TYR  74           HH       TYR  74   5.994  15.220  -0.021
  592    H    SER  75           H        SER  75   9.021   7.434   3.842
  593    HA   SER  75           HA       SER  75   7.904   5.788   1.728
  594    HB2  SER  75           2HB      SER  75   9.966   5.285   3.860
  595    HB3  SER  75           3HB      SER  75   9.517   4.125   2.595
  596    HG   SER  75           HG       SER  75  11.287   5.365   1.916
  597    H    ALA  76           H        ALA  76   7.850   3.219   2.890
  598    HA   ALA  76           HA       ALA  76   5.165   2.964   3.393
  599    HB1  ALA  76           1HB      ALA  76   7.419   1.105   4.271
  600    HB2  ALA  76           2HB      ALA  76   5.716   0.653   4.043
  601    HB3  ALA  76           3HB      ALA  76   6.687   1.168   2.650
  602    H    SER  77           H        SER  77   7.450   3.885   5.884
  603    HA   SER  77           HA       SER  77   5.954   3.019   8.180
  604    HB2  SER  77           2HB      SER  77   7.411   4.730   9.333
  605    HB3  SER  77           3HB      SER  77   8.298   3.517   8.390
  606    HG   SER  77           HG       SER  77   9.030   5.692   8.021
  607    H    GLN  78           H        GLN  78   5.535   5.715   5.949
  608    HA   GLN  78           HA       GLN  78   3.588   6.970   7.753
  609    HB2  GLN  78           2HB      GLN  78   5.058   8.096   5.362
  610    HB3  GLN  78           3HB      GLN  78   3.765   8.922   6.216
  611    HG2  GLN  78           2HG      GLN  78   5.439   8.252   8.325
  612    HG3  GLN  78           3HG      GLN  78   6.591   8.543   7.038
  613   HE21  GLN  78          2HE2      GLN  78   7.270  10.760   6.950
  614   HE22  GLN  78          1HE2      GLN  78   6.258  12.060   7.550
  615    H    LEU  79           H        LEU  79   3.079   4.499   6.192
  616    HA   LEU  79           HA       LEU  79   0.670   5.316   4.654
  617    HB2  LEU  79           2HB      LEU  79   1.889   2.639   5.436
  618    HB3  LEU  79           3HB      LEU  79   0.319   2.776   4.667
  619    HG   LEU  79           HG       LEU  79   2.728   3.966   3.274
  620   HD11  LEU  79          1HD1      LEU  79   1.910   1.036   3.032
  621   HD12  LEU  79          2HD1      LEU  79   3.190   1.871   2.139
  622   HD13  LEU  79          3HD1      LEU  79   3.347   1.590   3.883
  623   HD21  LEU  79          3HD2      LEU  79   0.283   2.503   2.206
  624   HD22  LEU  79          1HD2      LEU  79   0.355   4.246   2.469
  625   HD23  LEU  79          2HD2      LEU  79   1.439   3.486   1.296
  626    H    LYS  80           H        LYS  80  -1.385   5.306   5.533
  627    HA   LYS  80           HA       LYS  80  -1.912   5.322   8.309
  628    HB2  LYS  80           2HB      LYS  80  -3.906   4.278   6.263
  629    HB3  LYS  80           3HB      LYS  80  -4.258   4.989   7.830
  630    HG2  LYS  80           2HG      LYS  80  -3.492   7.185   7.028
  631    HG3  LYS  80           3HG      LYS  80  -3.079   6.459   5.458
  632    HD2  LYS  80           2HD      LYS  80  -5.656   5.660   5.580
  633    HD3  LYS  80           3HD      LYS  80  -5.781   7.055   6.663
  634    HE2  LYS  80           2HE      LYS  80  -4.767   8.488   4.882
  635    HE3  LYS  80           3HE      LYS  80  -4.628   7.064   3.836
  636    HZ1  LYS  80           3HZ      LYS  80  -7.062   6.884   3.858
  637    HZ2  LYS  80           1HZ      LYS  80  -7.199   8.176   4.850
  638    HZ3  LYS  80           2HZ      LYS  80  -6.638   8.367   3.330
  639    H    GLY  81           H        GLY  81  -2.310   3.757   9.823
  640    HA2  GLY  81           2HA      GLY  81  -2.702   1.698  10.798
  641    HA3  GLY  81           3HA      GLY  81  -3.379   1.179   9.255
  642    H    PHE  82           H        PHE  82  -0.130   2.036   8.699
  643    HA   PHE  82           HA       PHE  82   0.781  -0.536   8.081
  644    HB2  PHE  82           2HB      PHE  82   1.963   1.246   7.166
  645    HB3  PHE  82           3HB      PHE  82   2.065   2.123   8.682
  646    HD1  PHE  82           HD2      PHE  82   3.772   1.697  10.332
  647    HD2  PHE  82           HD1      PHE  82   3.691  -0.476   6.606
  648    HE1  PHE  82           HE2      PHE  82   6.093   0.916  10.738
  649    HE2  PHE  82           HE1      PHE  82   6.023  -1.223   7.004
  650    HZ   PHE  82           HZ       PHE  82   7.213  -0.559   9.073
  651    H    SER  83           H        SER  83   1.143   1.265  11.166
  652    HA   SER  83           HA       SER  83   2.804  -0.663  12.410
  653    HB2  SER  83           2HB      SER  83   2.473   1.746  13.098
  654    HB3  SER  83           3HB      SER  83   0.977   1.224  13.908
  655    HG   SER  83           HG       SER  83   2.838   1.186  15.297
  656    H    LEU  84           H        LEU  84  -0.601  -0.793  11.851
  657    HA   LEU  84           HA       LEU  84  -1.211  -2.690  14.014
  658    HB2  LEU  84           2HB      LEU  84  -2.911  -1.786  11.661
  659    HB3  LEU  84           3HB      LEU  84  -3.465  -2.651  13.086
  660    HG   LEU  84           HG       LEU  84  -2.391   0.207  13.051
  661   HD11  LEU  84          1HD1      LEU  84  -4.705   0.829  13.554
  662   HD12  LEU  84          2HD1      LEU  84  -4.614  -0.052  12.018
  663   HD13  LEU  84          3HD1      LEU  84  -5.203  -0.877  13.480
  664   HD21  LEU  84          3HD2      LEU  84  -3.206   0.308  15.394
  665   HD22  LEU  84          1HD2      LEU  84  -3.559  -1.434  15.344
  666   HD23  LEU  84          2HD2      LEU  84  -1.884  -0.849  15.214
  667    H    LEU  85           H        LEU  85   0.263  -3.001  10.968
  668    HA   LEU  85           HA       LEU  85  -0.736  -5.684  10.297
  669    HB2  LEU  85           2HB      LEU  85   1.752  -4.182   9.421
  670    HB3  LEU  85           3HB      LEU  85   1.168  -5.673   8.703
  671    HG   LEU  85           HG       LEU  85  -0.378  -3.038   8.645
  672   HD11  LEU  85          1HD1      LEU  85   0.359  -2.899   6.302
  673   HD12  LEU  85          2HD1      LEU  85   1.750  -2.881   7.398
  674   HD13  LEU  85          3HD1      LEU  85   1.342  -4.365   6.510
  675   HD21  LEU  85          3HD2      LEU  85  -1.653  -4.090   6.852
  676   HD22  LEU  85          1HD2      LEU  85  -0.757  -5.597   7.092
  677   HD23  LEU  85          2HD2      LEU  85  -1.834  -4.989   8.370
  678    H    ALA  86           H        ALA  86   0.801  -7.594  10.284
  679    HA   ALA  86           HA       ALA  86   2.085  -8.053  12.810
  680    HB1  ALA  86           1HB      ALA  86   2.220  -9.512  10.140
  681    HB2  ALA  86           2HB      ALA  86   2.936 -10.118  11.653
  682    HB3  ALA  86           3HB      ALA  86   1.186  -9.898  11.534
  683    H    THR  87           H        THR  87   4.269  -8.170  13.373
  684    HA   THR  87           HA       THR  87   6.005  -6.191  12.535
  685    HB   THR  87           HB       THR  87   6.883  -8.862  13.671
  686    HG1  THR  87           1HG      THR  87   6.394  -7.945  15.676
  687   HG21  THR  87          1HG2      THR  87   8.538  -7.462  14.906
  688   HG22  THR  87          2HG2      THR  87   8.757  -7.329  13.157
  689   HG23  THR  87          3HG2      THR  87   7.950  -6.019  14.048
  690    H    GLU  88           H        GLU  88   5.931  -9.569  11.307
  691    HA   GLU  88           HA       GLU  88   8.288  -9.312   9.690
  692    HB2  GLU  88           2HB      GLU  88   7.597 -11.372   8.645
  693    HB3  GLU  88           3HB      GLU  88   7.398 -11.463  10.392
  694    HG2  GLU  88           2HG      GLU  88   4.933 -11.015  10.091
  695    HG3  GLU  88           3HG      GLU  88   5.176 -11.054   8.343
  696    H    ASP  89           H        ASP  89   4.930  -8.365   9.046
  697    HA   ASP  89           HA       ASP  89   5.473  -7.808   6.195
  698    HB2  ASP  89           2HB      ASP  89   3.073  -7.306   7.988
  699    HB3  ASP  89           3HB      ASP  89   3.181  -6.754   6.321
  700    H    LYS  90           H        LYS  90   5.193  -5.977   9.248
  701    HA   LYS  90           HA       LYS  90   5.576  -3.343   8.178
  702    HB2  LYS  90           2HB      LYS  90   6.286  -4.582  10.872
  703    HB3  LYS  90           3HB      LYS  90   6.487  -2.861  10.515
  704    HG2  LYS  90           2HG      LYS  90   4.153  -2.548  10.124
  705    HG3  LYS  90           3HG      LYS  90   3.839  -4.283  10.109
  706    HD2  LYS  90           2HD      LYS  90   3.004  -3.329  12.132
  707    HD3  LYS  90           3HD      LYS  90   4.308  -4.463  12.499
  708    HE2  LYS  90           2HE      LYS  90   5.859  -2.599  12.884
  709    HE3  LYS  90           3HE      LYS  90   4.635  -1.443  12.330
  710    HZ1  LYS  90           3HZ      LYS  90   3.228  -2.195  14.235
  711    HZ2  LYS  90           1HZ      LYS  90   4.465  -3.112  14.786
  712    HZ3  LYS  90           2HZ      LYS  90   4.609  -1.480  14.723
  713    H    GLU  91           H        GLU  91   7.974  -5.779   9.218
  714    HA   GLU  91           HA       GLU  91  10.286  -4.216   8.446
  715    HB2  GLU  91           2HB      GLU  91   9.844  -7.202   8.823
  716    HB3  GLU  91           3HB      GLU  91  11.406  -6.503   8.409
  717    HG2  GLU  91           2HG      GLU  91   9.810  -5.811  10.911
  718    HG3  GLU  91           3HG      GLU  91  11.142  -6.958  10.840
  719    H    ALA  92           H        ALA  92   8.469  -6.804   6.659
  720    HA   ALA  92           HA       ALA  92  10.126  -6.719   4.377
  721    HB1  ALA  92           1HB      ALA  92   7.196  -7.468   4.611
  722    HB2  ALA  92           2HB      ALA  92   8.285  -7.900   3.271
  723    HB3  ALA  92           3HB      ALA  92   8.594  -8.537   4.899
  724    H    LEU  93           H        LEU  93   7.265  -4.667   5.075
  725    HA   LEU  93           HA       LEU  93   7.161  -3.430   2.464
  726    HB2  LEU  93           2HB      LEU  93   6.219  -2.602   5.227
  727    HB3  LEU  93           3HB      LEU  93   5.947  -1.605   3.802
  728    HG   LEU  93           HG       LEU  93   4.917  -4.463   4.048
  729   HD11  LEU  93          1HD1      LEU  93   3.492  -1.802   4.493
  730   HD12  LEU  93          2HD1      LEU  93   2.737  -3.410   4.508
  731   HD13  LEU  93          3HD1      LEU  93   3.914  -2.986   5.755
  732   HD21  LEU  93          3HD2      LEU  93   5.118  -3.695   1.715
  733   HD22  LEU  93          1HD2      LEU  93   3.423  -3.786   2.204
  734   HD23  LEU  93          2HD2      LEU  93   4.229  -2.206   2.120
  735    H    LYS  94           H        LYS  94   8.839  -2.469   5.503
  736    HA   LYS  94           HA       LYS  94  10.110  -0.121   4.369
  737    HB2  LYS  94           2HB      LYS  94  10.849  -1.902   6.717
  738    HB3  LYS  94           3HB      LYS  94  11.692  -0.403   6.313
  739    HG2  LYS  94           2HG      LYS  94   9.618   0.898   6.616
  740    HG3  LYS  94           3HG      LYS  94   8.733  -0.569   7.040
  741    HD2  LYS  94           2HD      LYS  94  11.095   0.610   8.576
  742    HD3  LYS  94           3HD      LYS  94   9.392   0.709   9.051
  743    HE2  LYS  94           2HE      LYS  94   9.291  -1.773   9.219
  744    HE3  LYS  94           3HE      LYS  94  10.982  -1.878   8.732
  745    HZ1  LYS  94           3HZ      LYS  94  10.875  -2.061  11.055
  746    HZ2  LYS  94           1HZ      LYS  94  11.552  -0.606  10.755
  747    HZ3  LYS  94           2HZ      LYS  94   9.989  -0.682  11.251
  748    H    LYS  95           H        LYS  95  11.113  -3.534   4.610
  749    HA   LYS  95           HA       LYS  95  13.749  -3.160   3.619
  750    HB2  LYS  95           2HB      LYS  95  11.906  -5.560   3.680
  751    HB3  LYS  95           3HB      LYS  95  13.514  -5.669   2.959
  752    HG2  LYS  95           2HG      LYS  95  14.611  -5.040   4.997
  753    HG3  LYS  95           3HG      LYS  95  13.089  -4.646   5.796
  754    HD2  LYS  95           2HD      LYS  95  12.370  -7.020   5.608
  755    HD3  LYS  95           3HD      LYS  95  13.920  -7.436   4.868
  756    HE2  LYS  95           2HE      LYS  95  13.579  -6.204   7.646
  757    HE3  LYS  95           3HE      LYS  95  13.716  -7.937   7.342
  758    HZ1  LYS  95           3HZ      LYS  95  15.925  -7.537   6.392
  759    HZ2  LYS  95           1HZ      LYS  95  15.814  -5.933   6.701
  760    HZ3  LYS  95           2HZ      LYS  95  15.858  -7.002   7.930
  761    H    GLN  96           H        GLN  96  10.786  -3.186   1.846
  762    HA   GLN  96           HA       GLN  96  12.176  -3.309  -0.792
  763    HB2  GLN  96           2HB      GLN  96   9.242  -3.328  -0.002
  764    HB3  GLN  96           3HB      GLN  96   9.832  -3.308  -1.670
  765    HG2  GLN  96           2HG      GLN  96  10.886  -5.459  -1.447
  766    HG3  GLN  96           3HG      GLN  96  10.610  -5.500   0.296
  767   HE21  GLN  96          2HE2      GLN  96   8.379  -5.647   1.084
  768   HE22  GLN  96          1HE2      GLN  96   7.163  -6.414   0.050
  769    H    LEU  97           H        LEU  97  10.319  -1.082   1.297
  770    HA   LEU  97           HA       LEU  97  11.360   1.219  -0.262
  771    HB2  LEU  97           2HB      LEU  97   9.186   0.675  -1.150
  772    HB3  LEU  97           3HB      LEU  97   8.452   0.684   0.448
  773    HG   LEU  97           HG       LEU  97   8.591   3.059   0.624
  774   HD11  LEU  97          1HD1      LEU  97  10.395   3.001  -1.824
  775   HD12  LEU  97          2HD1      LEU  97   9.679   4.478  -1.121
  776   HD13  LEU  97          3HD1      LEU  97  10.837   3.533  -0.187
  777   HD21  LEU  97          3HD2      LEU  97   7.390   3.794  -1.386
  778   HD22  LEU  97          1HD2      LEU  97   7.948   2.360  -2.272
  779   HD23  LEU  97          2HD2      LEU  97   6.851   2.184  -0.889
  780    HA   PRO  98           HA       PRO  98  11.800   1.992   4.233
  781    HB2  PRO  98           2HB      PRO  98  14.528   2.311   4.371
  782    HB3  PRO  98           3HB      PRO  98  13.688   0.740   4.434
  783    HG2  PRO  98           2HG      PRO  98  15.275   1.903   2.201
  784    HG3  PRO  98           3HG      PRO  98  14.844   0.195   2.535
  785    HD2  PRO  98           2HD      PRO  98  13.586   2.041   0.687
  786    HD3  PRO  98           3HD      PRO  98  13.197   0.327   1.002
  787    H    GLY  99           H        GLY  99  12.155   3.980   5.389
  788    HA2  GLY  99           2HA      GLY  99  12.121   6.402   3.782
  789    HA3  GLY  99           3HA      GLY  99  11.865   6.259   5.513
  790    H    VAL 100           H        VAL 100  13.032   8.110   5.752
  791    HA   VAL 100           HA       VAL 100  15.426   9.097   5.163
  792    HB   VAL 100           HB       VAL 100  14.346   8.819   8.008
  793   HG11  VAL 100          1HG1      VAL 100  16.292  10.880   6.882
  794   HG12  VAL 100          2HG1      VAL 100  15.482  10.988   8.460
  795   HG13  VAL 100          3HG1      VAL 100  16.617   9.684   8.170
  796   HG21  VAL 100          3HG2      VAL 100  13.859  10.941   5.874
  797   HG22  VAL 100          1HG2      VAL 100  12.665   9.800   6.543
  798   HG23  VAL 100          2HG2      VAL 100  13.336  11.061   7.569
  799    H    LYS 101           H        LYS 101  17.474   9.045   5.550
  800    HA   LYS 101           HA       LYS 101  18.733   6.510   6.032
  801    HB2  LYS 101           2HB      LYS 101  19.278   8.391   4.302
  802    HB3  LYS 101           3HB      LYS 101  20.190   9.131   5.623
  803    HG2  LYS 101           2HG      LYS 101  21.360   6.812   5.846
  804    HG3  LYS 101           3HG      LYS 101  20.502   6.379   4.366
  805    HD2  LYS 101           2HD      LYS 101  22.793   7.025   3.864
  806    HD3  LYS 101           3HD      LYS 101  21.666   8.185   3.142
  807    HE2  LYS 101           2HE      LYS 101  22.097   9.779   4.962
  808    HE3  LYS 101           3HE      LYS 101  23.110   8.598   5.806
  809    HZ1  LYS 101           3HZ      LYS 101  24.681   8.703   3.980
  810    HZ2  LYS 101           1HZ      LYS 101  23.704   9.666   3.093
  811    HZ3  LYS 101           2HZ      LYS 101  24.392  10.238   4.471
  812    H    SER 102           H        SER 102  17.547   7.025   8.371
  813    HA   SER 102           HA       SER 102  19.294   8.136  10.394
  814    HB2  SER 102           2HB      SER 102  16.888   6.293  10.621
  815    HB3  SER 102           3HB      SER 102  17.650   7.183  11.959
  816    HG   SER 102           HG       SER 102  15.852   8.312  11.137
  817    H    GLU 103           H        GLU 103  19.478   5.189   8.713
  818    HA   GLU 103           HA       GLU 103  21.422   4.091  10.677
  819    HB2  GLU 103           2HB      GLU 103  19.274   2.542   9.172
  820    HB3  GLU 103           3HB      GLU 103  20.660   1.781   9.936
  821    HG2  GLU 103           2HG      GLU 103  18.505   3.395  11.365
  822    HG3  GLU 103           3HG      GLU 103  18.621   1.642  11.312
  823    H    GLY 104           H        GLY 104  23.245   3.183   9.795
  824    HA2  GLY 104           2HA      GLY 104  24.162   4.275   7.354
  825    HA3  GLY 104           3HA      GLY 104  24.991   3.056   8.324
  826    H    LYS 105           H        LYS 105  22.245   1.477   7.631
  827    HA   LYS 105           HA       LYS 105  23.313   0.058   5.266
  828    HB2  LYS 105           2HB      LYS 105  20.788  -0.406   6.915
  829    HB3  LYS 105           3HB      LYS 105  21.418  -1.479   5.670
  830    HG2  LYS 105           2HG      LYS 105  22.750  -0.846   8.336
  831    HG3  LYS 105           3HG      LYS 105  21.915  -2.333   7.888
  832    HD2  LYS 105           2HD      LYS 105  23.615  -2.672   6.050
  833    HD3  LYS 105           3HD      LYS 105  24.529  -1.300   6.689
  834    HE2  LYS 105           2HE      LYS 105  23.813  -3.828   8.247
  835    HE3  LYS 105           3HE      LYS 105  25.354  -3.548   7.436
  836    HZ1  LYS 105           3HZ      LYS 105  25.712  -1.631   8.902
  837    HZ2  LYS 105           1HZ      LYS 105  24.298  -1.912   9.680
  838    HZ3  LYS 105           2HZ      LYS 105  25.513  -2.992   9.776
  839    H    ARG 106           H        ARG 106  21.227   2.706   5.782
  840    HA   ARG 106           HA       ARG 106  19.535   2.203   3.421
  841    HB2  ARG 106           2HB      ARG 106  19.562   4.448   5.466
  842    HB3  ARG 106           3HB      ARG 106  18.393   4.306   4.147
  843    HG2  ARG 106           2HG      ARG 106  17.655   2.103   5.034
  844    HG3  ARG 106           3HG      ARG 106  18.777   2.284   6.399
  845    HD2  ARG 106           2HD      ARG 106  17.616   4.353   7.088
  846    HD3  ARG 106           3HD      ARG 106  16.493   4.181   5.723
  847    HE   ARG 106           HE       ARG 106  16.460   1.778   7.266
  848   HH11  ARG 106          1HH2      ARG 106  15.370   5.099   7.599
  849   HH12  ARG 106          2HH2      ARG 106  14.069   4.648   8.676
  850   HH21  ARG 106          1HH1      ARG 106  14.808   1.292   8.665
  851   HH22  ARG 106          2HH1      ARG 106  13.774   2.555   9.263
  852    H    LYS 107           H        LYS 107  22.575   3.409   3.653
  853    HA   LYS 107           HA       LYS 107  22.547   5.718   1.939
  854    HB2  LYS 107           2HB      LYS 107  24.942   5.418   1.801
  855    HB3  LYS 107           3HB      LYS 107  24.397   5.166   3.459
  856    HG2  LYS 107           2HG      LYS 107  24.481   2.666   3.042
  857    HG3  LYS 107           3HG      LYS 107  25.175   3.002   1.448
  858    HD2  LYS 107           2HD      LYS 107  27.100   4.125   2.485
  859    HD3  LYS 107           3HD      LYS 107  26.389   3.901   4.100
  860    HE2  LYS 107           2HE      LYS 107  26.450   1.444   3.796
  861    HE3  LYS 107           3HE      LYS 107  27.162   1.651   2.189
  862    HZ1  LYS 107           3HZ      LYS 107  29.086   2.710   3.258
  863    HZ2  LYS 107           1HZ      LYS 107  28.425   2.514   4.740
  864    HZ3  LYS 107           2HZ      LYS 107  28.867   1.212   3.862
  865    H    GLY 108           H        GLY 108  23.180   6.032  -0.174
  866    HA2  GLY 108           2HA      GLY 108  23.356   3.774  -2.059
  867    HA3  GLY 108           3HA      GLY 108  21.829   4.643  -2.129
  868    H    ASP 109           H        ASP 109  25.187   4.689  -2.853
  869    HA   ASP 109           HA       ASP 109  26.486   5.832  -4.296
  870    HB2  ASP 109           2HB      ASP 109  24.732   4.818  -5.749
  871    HB3  ASP 109           3HB      ASP 109  23.896   6.369  -5.774
  872    H    GLU 110           H        GLU 110  26.294   7.280  -2.176
  873    HA   GLU 110           HA       GLU 110  25.698  10.099  -2.893
  874    HB2  GLU 110           2HB      GLU 110  26.081   8.629  -0.270
  875    HB3  GLU 110           3HB      GLU 110  25.937  10.388  -0.358
  876    HG2  GLU 110           2HG      GLU 110  23.718  10.315  -1.190
  877    HG3  GLU 110           3HG      GLU 110  23.825   8.609  -1.610
  878    H    VAL 111           H        VAL 111  28.432   8.134  -2.789
  879    HA   VAL 111           HA       VAL 111  30.345  10.271  -2.075
  880    HB   VAL 111           HB       VAL 111  32.087   8.595  -2.490
  881   HG11  VAL 111          1HG1      VAL 111  31.608   7.153  -0.598
  882   HG12  VAL 111          2HG1      VAL 111  31.051   8.800  -0.258
  883   HG13  VAL 111          3HG1      VAL 111  29.877   7.535  -0.685
  884   HG21  VAL 111          3HG2      VAL 111  29.825   6.618  -3.043
  885   HG22  VAL 111          1HG2      VAL 111  30.962   7.247  -4.258
  886   HG23  VAL 111          2HG2      VAL 111  31.557   6.256  -2.920
  887    H    ASP 112           H        ASP 112  28.552   9.775  -4.702
  888    HA   ASP 112           HA       ASP 112  30.379   9.975  -6.923
  889    HB2  ASP 112           2HB      ASP 112  28.155   8.955  -7.057
  890    HB3  ASP 112           3HB      ASP 112  27.395  10.486  -6.659
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1 -12.229  -0.343  14.363
    2    H2   GLY   1           H2       GLY   1 -10.672  -0.743  14.680
    3    H3   GLY   1           H3       GLY   1 -11.306  -1.044  13.201
    4    HA2  GLY   1           2HA      GLY   1 -11.560   1.313  12.759
    5    HA3  GLY   1           3HA      GLY   1 -10.858   1.633  14.355
    6    H    SER   2           H        SER   2  -9.362   2.927  12.974
    7    HA   SER   2           HA       SER   2  -6.904   1.403  12.411
    8    HB2  SER   2           2HB      SER   2  -8.216   1.539  10.247
    9    HB3  SER   2           3HB      SER   2  -8.009   3.300  10.312
   10    HG   SER   2           HG       SER   2  -6.377   2.157   9.083
   11    H    LYS   3           H        LYS   3  -5.201   3.144  11.625
   12    HA   LYS   3           HA       LYS   3  -5.279   5.567  13.389
   13    HB2  LYS   3           2HB      LYS   3  -3.144   3.392  13.243
   14    HB3  LYS   3           3HB      LYS   3  -2.788   5.000  13.851
   15    HG2  LYS   3           2HG      LYS   3  -4.880   3.138  15.066
   16    HG3  LYS   3           3HG      LYS   3  -3.218   3.345  15.633
   17    HD2  LYS   3           2HD      LYS   3  -3.717   5.837  15.878
   18    HD3  LYS   3           3HD      LYS   3  -5.430   5.443  15.626
   19    HE2  LYS   3           2HE      LYS   3  -5.410   3.963  17.588
   20    HE3  LYS   3           3HE      LYS   3  -3.667   4.207  17.780
   21    HZ1  LYS   3           3HZ      LYS   3  -4.117   6.593  18.118
   22    HZ2  LYS   3           1HZ      LYS   3  -5.730   6.319  18.069
   23    HZ3  LYS   3           2HZ      LYS   3  -4.834   5.675  19.277
   24    H    ALA   4           H        ALA   4  -4.365   7.376  12.569
   25    HA   ALA   4           HA       ALA   4  -2.438   7.135  10.367
   26    HB1  ALA   4           1HB      ALA   4  -4.918   8.914  10.159
   27    HB2  ALA   4           2HB      ALA   4  -3.622   8.779   8.948
   28    HB3  ALA   4           3HB      ALA   4  -4.674   7.392   9.272
   29    H    GLU   5           H        GLU   5  -2.174   7.773  13.122
   30    HA   GLU   5           HA       GLU   5  -1.624  10.567  13.542
   31    HB2  GLU   5           2HB      GLU   5  -0.875   7.944  14.851
   32    HB3  GLU   5           3HB      GLU   5  -0.251   9.490  15.470
   33    HG2  GLU   5           2HG      GLU   5  -2.620  10.312  15.685
   34    HG3  GLU   5           3HG      GLU   5  -3.188   8.710  15.211
   35    H    LYS   6           H        LYS   6   0.252   8.045  12.017
   36    HA   LYS   6           HA       LYS   6   2.700   9.782  11.940
   37    HB2  LYS   6           2HB      LYS   6   2.489   6.746  11.849
   38    HB3  LYS   6           3HB      LYS   6   3.980   7.686  11.709
   39    HG2  LYS   6           2HG      LYS   6   3.586   8.639  13.989
   40    HG3  LYS   6           3HG      LYS   6   2.134   7.644  14.138
   41    HD2  LYS   6           2HD      LYS   6   3.892   6.560  15.330
   42    HD3  LYS   6           3HD      LYS   6   3.525   5.586  13.899
   43    HE2  LYS   6           2HE      LYS   6   5.499   6.524  12.737
   44    HE3  LYS   6           3HE      LYS   6   5.821   7.593  14.109
   45    HZ1  LYS   6           3HZ      LYS   6   6.205   5.615  15.478
   46    HZ2  LYS   6           1HZ      LYS   6   5.905   4.622  14.214
   47    HZ3  LYS   6           2HZ      LYS   6   7.210   5.603  14.193
   48    H    THR   7           H        THR   7   0.242   9.267   9.997
   49    HA   THR   7           HA       THR   7   1.554   8.401   7.532
   50    HB   THR   7           HB       THR   7  -1.271   9.407   7.941
   51    HG1  THR   7           1HG      THR   7  -0.180   6.825   8.324
   52   HG21  THR   7          1HG2      THR   7  -0.362   8.866   5.516
   53   HG22  THR   7          2HG2      THR   7  -0.517   7.205   6.022
   54   HG23  THR   7          3HG2      THR   7  -1.927   8.283   6.026
   55    H    LEU   8           H        LEU   8   1.786   9.645   5.616
   56    HA   LEU   8           HA       LEU   8   1.948  12.543   5.932
   57    HB2  LEU   8           2HB      LEU   8   2.917  12.665   3.899
   58    HB3  LEU   8           3HB      LEU   8   3.382  11.048   4.386
   59    HG   LEU   8           HG       LEU   8   1.141  11.789   2.430
   60   HD11  LEU   8          1HD1      LEU   8   3.439  12.165   1.573
   61   HD12  LEU   8          2HD1      LEU   8   3.817  10.462   1.911
   62   HD13  LEU   8          3HD1      LEU   8   2.578  10.876   0.713
   63   HD21  LEU   8          3HD2      LEU   8   2.211   9.075   3.272
   64   HD22  LEU   8          1HD2      LEU   8   0.573   9.666   3.545
   65   HD23  LEU   8          2HD2      LEU   8   1.119   9.354   1.898
   66    H    GLY   9           H        GLY   9  -0.733  10.546   5.223
   67    HA2  GLY   9           2HA      GLY   9  -2.955  11.234   5.068
   68    HA3  GLY   9           3HA      GLY   9  -2.453  12.861   4.632
   69    H    ASP  10           H        ASP  10  -1.189  10.090   2.754
   70    HA   ASP  10           HA       ASP  10  -3.154  10.611   0.590
   71    HB2  ASP  10           2HB      ASP  10  -0.147  10.910   0.350
   72    HB3  ASP  10           3HB      ASP  10  -1.203  10.682  -1.038
   73    H    PHE  11           H        PHE  11  -1.292   8.213   2.273
   74    HA   PHE  11           HA       PHE  11  -2.559   6.214   0.573
   75    HB2  PHE  11           2HB      PHE  11  -0.300   4.938   0.410
   76    HB3  PHE  11           3HB      PHE  11  -0.770   6.129  -0.752
   77    HD1  PHE  11           HD2      PHE  11   1.263   6.052   2.467
   78    HD2  PHE  11           HD1      PHE  11   0.811   7.573  -1.546
   79    HE1  PHE  11           HE2      PHE  11   3.540   7.008   2.568
   80    HE2  PHE  11           HE1      PHE  11   3.059   8.607  -1.399
   81    HZ   PHE  11           HZ       PHE  11   4.435   8.299   0.652
   82    H    ALA  12           H        ALA  12  -2.572   4.074   1.381
   83    HA   ALA  12           HA       ALA  12  -2.448   3.907   4.355
   84    HB1  ALA  12           1HB      ALA  12  -4.831   3.288   2.570
   85    HB2  ALA  12           2HB      ALA  12  -4.769   3.077   4.324
   86    HB3  ALA  12           3HB      ALA  12  -4.682   4.709   3.618
   87    H    ALA  13           H        ALA  13  -2.598   1.785   5.238
   88    HA   ALA  13           HA       ALA  13  -2.123  -0.517   3.399
   89    HB1  ALA  13           1HB      ALA  13  -0.549   0.134   5.927
   90    HB2  ALA  13           2HB      ALA  13  -0.272  -1.213   4.793
   91    HB3  ALA  13           3HB      ALA  13   0.004   0.459   4.273
   92    H    GLU  14           H        GLU  14  -3.087  -2.421   3.982
   93    HA   GLU  14           HA       GLU  14  -4.209  -2.888   6.679
   94    HB2  GLU  14           2HB      GLU  14  -5.789  -1.353   5.272
   95    HB3  GLU  14           3HB      GLU  14  -6.028  -2.760   4.238
   96    HG2  GLU  14           2HG      GLU  14  -6.865  -4.003   6.291
   97    HG3  GLU  14           3HG      GLU  14  -6.644  -2.524   7.218
   98    H    TYR  15           H        TYR  15  -4.705  -5.227   6.983
   99    HA   TYR  15           HA       TYR  15  -4.105  -7.104   4.861
  100    HB2  TYR  15           2HB      TYR  15  -5.280  -7.238   7.603
  101    HB3  TYR  15           3HB      TYR  15  -5.752  -8.497   6.471
  102    HD1  TYR  15           HD1      TYR  15  -2.502  -6.655   7.055
  103    HD2  TYR  15           HD2      TYR  15  -4.544 -10.452   6.796
  104    HE1  TYR  15           HE1      TYR  15  -0.346  -7.807   7.187
  105    HE2  TYR  15           HE2      TYR  15  -2.359 -11.626   6.982
  106    HH   TYR  15           HH       TYR  15   0.756  -9.883   7.033
  107    H    ALA  16           H        ALA  16  -5.244  -7.899   3.257
  108    HA   ALA  16           HA       ALA  16  -7.666  -6.744   2.347
  109    HB1  ALA  16           1HB      ALA  16  -6.301  -9.345   1.655
  110    HB2  ALA  16           2HB      ALA  16  -7.553  -8.552   0.669
  111    HB3  ALA  16           3HB      ALA  16  -5.970  -7.773   0.908
  112    H    LYS  17           H        LYS  17  -9.475  -6.850   3.582
  113    HA   LYS  17           HA       LYS  17 -10.281  -9.099   5.161
  114    HB2  LYS  17           2HB      LYS  17 -10.857  -6.708   5.567
  115    HB3  LYS  17           3HB      LYS  17 -11.928  -6.735   4.158
  116    HG2  LYS  17           2HG      LYS  17 -13.342  -8.442   5.243
  117    HG3  LYS  17           3HG      LYS  17 -12.226  -8.514   6.623
  118    HD2  LYS  17           2HD      LYS  17 -12.685  -6.119   7.104
  119    HD3  LYS  17           3HD      LYS  17 -13.826  -6.054   5.757
  120    HE2  LYS  17           2HE      LYS  17 -14.072  -7.900   8.181
  121    HE3  LYS  17           3HE      LYS  17 -14.868  -6.331   8.038
  122    HZ1  LYS  17           3HZ      LYS  17 -15.348  -8.642   6.232
  123    HZ2  LYS  17           1HZ      LYS  17 -16.366  -8.108   7.388
  124    HZ3  LYS  17           2HZ      LYS  17 -16.060  -7.175   6.086
  125    H    SER  18           H        SER  18 -10.967  -8.263   1.839
  126    HA   SER  18           HA       SER  18 -12.348 -10.852   1.386
  127    HB2  SER  18           2HB      SER  18 -13.471  -8.157   0.507
  128    HB3  SER  18           3HB      SER  18 -14.104  -9.746   0.043
  129    HG   SER  18           HG       SER  18 -15.258  -8.833   1.804
  130    H    ASN  19           H        ASN  19 -12.228 -11.576  -0.790
  131    HA   ASN  19           HA       ASN  19  -9.927 -10.626  -2.302
  132    HB2  ASN  19           2HB      ASN  19 -10.510 -13.035  -1.855
  133    HB3  ASN  19           3HB      ASN  19 -11.933 -12.839  -2.886
  134   HD21  ASN  19          2HD2      ASN  19  -8.623 -11.523  -3.616
  135   HD22  ASN  19          1HD2      ASN  19  -8.240 -12.811  -4.740
  136    H    ARG  20           H        ARG  20 -11.724  -8.592  -2.230
  137    HA   ARG  20           HA       ARG  20 -13.038  -8.454  -4.933
  138    HB2  ARG  20           2HB      ARG  20 -13.902  -7.198  -2.294
  139    HB3  ARG  20           3HB      ARG  20 -14.690  -6.923  -3.841
  140    HG2  ARG  20           2HG      ARG  20 -14.557  -9.624  -2.417
  141    HG3  ARG  20           3HG      ARG  20 -15.900  -8.492  -2.375
  142    HD2  ARG  20           2HD      ARG  20 -16.541 -10.086  -3.958
  143    HD3  ARG  20           3HD      ARG  20 -16.037  -8.673  -4.907
  144    HE   ARG  20           HE       ARG  20 -13.789 -10.390  -4.601
  145   HH11  ARG  20          1HH2      ARG  20 -16.832 -10.531  -6.334
  146   HH12  ARG  20          2HH2      ARG  20 -16.146 -11.523  -7.594
  147   HH21  ARG  20          1HH1      ARG  20 -12.990 -11.555  -6.168
  148   HH22  ARG  20          2HH1      ARG  20 -13.988 -12.117  -7.494
  149    H    SER  21           H        SER  21 -10.857  -6.829  -2.761
  150    HA   SER  21           HA       SER  21 -10.632  -4.396  -4.352
  151    HB2  SER  21           2HB      SER  21  -8.339  -4.281  -3.207
  152    HB3  SER  21           3HB      SER  21  -9.782  -4.151  -2.200
  153    HG   SER  21           HG       SER  21  -8.408  -6.614  -2.612
  154    H    THR  22           H        THR  22  -9.070  -3.919  -5.926
  155    HA   THR  22           HA       THR  22  -7.623  -6.218  -7.180
  156    HB   THR  22           HB       THR  22  -9.200  -4.104  -8.649
  157    HG1  THR  22           1HG      THR  22 -10.569  -5.643  -7.749
  158   HG21  THR  22          1HG2      THR  22  -7.252  -4.908  -9.973
  159   HG22  THR  22          2HG2      THR  22  -7.821  -6.581  -9.752
  160   HG23  THR  22          3HG2      THR  22  -8.791  -5.419 -10.673
  161    H    CYS  23           HN       CYS  23  -5.597  -5.786  -7.783
  162    HA   CYS  23           HA       CYS  23  -4.371  -3.345  -6.912
  163    HB2  CYS  23           2HB      CYS  23  -3.247  -5.436  -6.676
  164    HB3  CYS  23           3HB      CYS  23  -3.503  -5.823  -8.380
  165    H    LYS  24           H        LYS  24  -4.523  -1.566  -7.986
  166    HA   LYS  24           HA       LYS  24  -4.953  -1.295 -10.872
  167    HB2  LYS  24           2HB      LYS  24  -4.351   0.715  -8.667
  168    HB3  LYS  24           3HB      LYS  24  -4.912   1.119 -10.298
  169    HG2  LYS  24           2HG      LYS  24  -6.466  -0.392  -8.140
  170    HG3  LYS  24           3HG      LYS  24  -6.757   1.241  -8.698
  171    HD2  LYS  24           2HD      LYS  24  -7.347   0.362 -10.961
  172    HD3  LYS  24           3HD      LYS  24  -7.161  -1.294 -10.326
  173    HE2  LYS  24           2HE      LYS  24  -8.891  -0.877  -8.634
  174    HE3  LYS  24           3HE      LYS  24  -9.061   0.795  -9.182
  175    HZ1  LYS  24           3HZ      LYS  24 -10.780  -0.620 -10.145
  176    HZ2  LYS  24           1HZ      LYS  24  -9.828  -0.049 -11.336
  177    HZ3  LYS  24           2HZ      LYS  24  -9.676  -1.599 -10.838
  178    H    GLY  25           H        GLY  25  -2.222  -1.883  -8.968
  179    HA2  GLY  25           2HA      GLY  25  -0.228  -0.480 -10.589
  180    HA3  GLY  25           3HA      GLY  25   0.059  -1.713  -9.361
  181    H    CYS  26           HN       CYS  26  -1.561  -3.781 -10.568
  182    HA   CYS  26           HA       CYS  26  -0.256  -4.228 -13.212
  183    HB2  CYS  26           2HB      CYS  26   0.401  -6.437 -12.709
  184    HB3  CYS  26           3HB      CYS  26   1.048  -5.383 -11.453
  185    H    MET  27           H        MET  27  -3.232  -4.113 -11.764
  186    HA   MET  27           HA       MET  27  -5.297  -4.606 -12.386
  187    HB2  MET  27           2HB      MET  27  -4.318  -3.801 -14.667
  188    HB3  MET  27           3HB      MET  27  -4.446  -5.492 -15.133
  189    HG2  MET  27           2HG      MET  27  -6.521  -4.901 -15.776
  190    HG3  MET  27           3HG      MET  27  -6.940  -5.125 -14.085
  191    HE1  MET  27           3HE      MET  27  -6.954  -2.950 -12.315
  192    HE2  MET  27           1HE      MET  27  -5.393  -2.336 -12.918
  193    HE3  MET  27           2HE      MET  27  -6.808  -1.268 -12.878
  194    H    GLU  28           H        GLU  28  -4.311  -6.426 -10.767
  195    HA   GLU  28           HA       GLU  28  -5.819  -8.848 -11.590
  196    HB2  GLU  28           2HB      GLU  28  -3.055  -8.999 -10.312
  197    HB3  GLU  28           3HB      GLU  28  -4.201 -10.331 -10.470
  198    HG2  GLU  28           2HG      GLU  28  -4.168  -9.880 -13.005
  199    HG3  GLU  28           3HG      GLU  28  -2.744  -8.879 -12.699
  200    H    LYS  29           H        LYS  29  -6.684 -10.051  -9.783
  201    HA   LYS  29           HA       LYS  29  -7.694  -8.205  -7.832
  202    HB2  LYS  29           2HB      LYS  29  -8.987 -10.043  -6.948
  203    HB3  LYS  29           3HB      LYS  29  -9.109  -9.977  -8.706
  204    HG2  LYS  29           2HG      LYS  29  -7.528 -11.863  -8.922
  205    HG3  LYS  29           3HG      LYS  29  -7.292 -11.884  -7.163
  206    HD2  LYS  29           2HD      LYS  29  -9.744 -12.328  -6.877
  207    HD3  LYS  29           3HD      LYS  29  -9.886 -12.496  -8.639
  208    HE2  LYS  29           2HE      LYS  29  -8.356 -14.384  -8.652
  209    HE3  LYS  29           3HE      LYS  29  -7.909 -14.104  -6.965
  210    HZ1  LYS  29           3HZ      LYS  29 -10.612 -14.941  -7.861
  211    HZ2  LYS  29           1HZ      LYS  29  -9.506 -15.909  -7.144
  212    HZ3  LYS  29           2HZ      LYS  29 -10.160 -14.668  -6.303
  213    H    ILE  30           H        ILE  30  -7.351  -7.948  -5.713
  214    HA   ILE  30           HA       ILE  30  -4.818  -8.977  -4.630
  215    HB   ILE  30           HB       ILE  30  -6.828  -6.910  -3.770
  216   HG12  ILE  30          2HG1      ILE  30  -3.827  -6.670  -4.236
  217   HG13  ILE  30          3HG1      ILE  30  -4.975  -6.584  -5.563
  218   HG21  ILE  30          1HG2      ILE  30  -4.402  -7.727  -2.135
  219   HG22  ILE  30          2HG2      ILE  30  -5.551  -6.404  -1.807
  220   HG23  ILE  30          3HG2      ILE  30  -6.090  -8.067  -1.673
  221   HD11  ILE  30          3HD1      ILE  30  -4.380  -4.365  -4.881
  222   HD12  ILE  30          1HD1      ILE  30  -6.090  -4.651  -4.530
  223   HD13  ILE  30          2HD1      ILE  30  -4.888  -4.669  -3.209
  224    H    GLU  31           H        GLU  31  -4.566 -10.588  -3.238
  225    HA   GLU  31           HA       GLU  31  -6.774 -12.395  -2.790
  226    HB2  GLU  31           2HB      GLU  31  -3.875 -12.510  -1.925
  227    HB3  GLU  31           3HB      GLU  31  -5.042 -13.820  -1.728
  228    HG2  GLU  31           2HG      GLU  31  -4.164 -12.628  -4.394
  229    HG3  GLU  31           3HG      GLU  31  -3.548 -14.104  -3.669
  230    H    LYS  32           H        LYS  32  -7.794 -12.972  -1.002
  231    HA   LYS  32           HA       LYS  32  -7.979 -11.173   1.253
  232    HB2  LYS  32           2HB      LYS  32  -9.877 -12.517   0.469
  233    HB3  LYS  32           3HB      LYS  32  -9.019 -14.013   0.867
  234    HG2  LYS  32           2HG      LYS  32  -9.049 -13.423   3.264
  235    HG3  LYS  32           3HG      LYS  32  -9.823 -11.870   2.886
  236    HD2  LYS  32           2HD      LYS  32 -11.791 -13.053   2.019
  237    HD3  LYS  32           3HD      LYS  32 -10.995 -14.619   2.313
  238    HE2  LYS  32           2HE      LYS  32 -10.889 -14.132   4.731
  239    HE3  LYS  32           3HE      LYS  32 -11.619 -12.546   4.461
  240    HZ1  LYS  32           3HZ      LYS  32 -13.269 -14.179   5.181
  241    HZ2  LYS  32           1HZ      LYS  32 -13.629 -13.663   3.677
  242    HZ3  LYS  32           2HZ      LYS  32 -12.959 -15.140   3.901
  243    H    GLY  33           H        GLY  33  -7.280 -11.347   3.302
  244    HA2  GLY  33           2HA      GLY  33  -6.162 -12.104   5.181
  245    HA3  GLY  33           3HA      GLY  33  -5.985 -13.682   4.413
  246    H    GLN  34           H        GLN  34  -4.661 -11.087   2.594
  247    HA   GLN  34           HA       GLN  34  -2.026 -11.153   3.920
  248    HB2  GLN  34           2HB      GLN  34  -0.807 -11.314   1.829
  249    HB3  GLN  34           3HB      GLN  34  -1.770 -12.739   2.150
  250    HG2  GLN  34           2HG      GLN  34  -1.973 -12.400  -0.166
  251    HG3  GLN  34           3HG      GLN  34  -3.497 -11.858   0.491
  252   HE21  GLN  34          1HE2      GLN  34  -4.115  -9.669   0.011
  253   HE22  GLN  34          2HE2      GLN  34  -2.939  -8.478  -0.569
  254    H    VAL  35           H        VAL  35  -0.640  -9.249   3.122
  255    HA   VAL  35           HA       VAL  35  -2.218  -6.947   3.773
  256    HB   VAL  35           HB       VAL  35   0.070  -7.418   4.575
  257   HG11  VAL  35          1HG1      VAL  35   2.014  -6.767   3.282
  258   HG12  VAL  35          2HG1      VAL  35   1.152  -8.062   2.439
  259   HG13  VAL  35          3HG1      VAL  35   1.003  -6.382   1.875
  260   HG21  VAL  35          3HG2      VAL  35   0.800  -5.138   4.653
  261   HG22  VAL  35          1HG2      VAL  35  -0.237  -4.684   3.288
  262   HG23  VAL  35          2HG2      VAL  35  -0.961  -5.205   4.834
  263    H    ARG  36           H        ARG  36  -2.739  -5.104   2.685
  264    HA   ARG  36           HA       ARG  36  -2.108  -4.820  -0.193
  265    HB2  ARG  36           2HB      ARG  36  -4.406  -4.239  -0.733
  266    HB3  ARG  36           3HB      ARG  36  -4.248  -5.901  -0.150
  267    HG2  ARG  36           2HG      ARG  36  -5.252  -5.380   1.959
  268    HG3  ARG  36           3HG      ARG  36  -5.183  -3.646   1.652
  269    HD2  ARG  36           2HD      ARG  36  -6.782  -4.000  -0.284
  270    HD3  ARG  36           3HD      ARG  36  -6.931  -5.685   0.226
  271    HE   ARG  36           HE       ARG  36  -7.436  -3.713   2.352
  272   HH11  ARG  36          1HH2      ARG  36  -9.095  -5.442  -0.245
  273   HH12  ARG  36          2HH2      ARG  36 -10.631  -5.247   0.547
  274   HH21  ARG  36          1HH1      ARG  36  -9.392  -3.537   3.264
  275   HH22  ARG  36          2HH1      ARG  36 -10.810  -4.154   2.444
  276    H    LEU  37           H        LEU  37  -1.972  -2.703  -0.933
  277    HA   LEU  37           HA       LEU  37  -2.122  -0.539   1.122
  278    HB2  LEU  37           2HB      LEU  37  -0.289  -0.503  -1.286
  279    HB3  LEU  37           3HB      LEU  37  -0.344   0.579   0.121
  280    HG   LEU  37           HG       LEU  37   1.608  -0.560   0.321
  281   HD11  LEU  37          1HD1      LEU  37   1.489  -1.651   2.420
  282   HD12  LEU  37          2HD1      LEU  37   0.249  -0.382   2.346
  283   HD13  LEU  37          3HD1      LEU  37  -0.216  -2.088   2.189
  284   HD21  LEU  37          3HD2      LEU  37   0.267  -3.287   0.087
  285   HD22  LEU  37          1HD2      LEU  37   1.163  -2.468  -1.216
  286   HD23  LEU  37          2HD2      LEU  37   1.980  -2.913   0.296
  287    H    SER  38           H        SER  38  -2.760   1.585   0.346
  288    HA   SER  38           HA       SER  38  -3.723   1.712  -2.426
  289    HB2  SER  38           2HB      SER  38  -5.857   2.711  -1.889
  290    HB3  SER  38           3HB      SER  38  -5.726   1.128  -1.126
  291    HG   SER  38           HG       SER  38  -6.541   2.585   0.366
  292    H    LYS  39           H        LYS  39  -4.006   3.777  -3.293
  293    HA   LYS  39           HA       LYS  39  -2.819   6.073  -1.771
  294    HB2  LYS  39           2HB      LYS  39  -1.469   5.588  -3.724
  295    HB3  LYS  39           3HB      LYS  39  -2.895   5.599  -4.776
  296    HG2  LYS  39           2HG      LYS  39  -3.242   7.965  -4.436
  297    HG3  LYS  39           3HG      LYS  39  -2.010   8.018  -3.153
  298    HD2  LYS  39           2HD      LYS  39  -0.262   7.467  -4.816
  299    HD3  LYS  39           3HD      LYS  39  -1.499   7.374  -6.082
  300    HE2  LYS  39           2HE      LYS  39  -0.528   9.501  -6.352
  301    HE3  LYS  39           3HE      LYS  39  -2.079   9.797  -5.564
  302    HZ1  LYS  39           3HZ      LYS  39  -0.838   9.960  -3.433
  303    HZ2  LYS  39           1HZ      LYS  39   0.584   9.723  -4.235
  304    HZ3  LYS  39           2HZ      LYS  39  -0.302  11.067  -4.513
  305    H    LYS  40           H        LYS  40  -4.063   7.784  -1.405
  306    HA   LYS  40           HA       LYS  40  -6.857   7.829  -2.453
  307    HB2  LYS  40           2HB      LYS  40  -6.860   7.769  -0.131
  308    HB3  LYS  40           3HB      LYS  40  -5.599   8.961   0.038
  309    HG2  LYS  40           2HG      LYS  40  -8.332   9.598  -1.210
  310    HG3  LYS  40           3HG      LYS  40  -8.071   9.607   0.526
  311    HD2  LYS  40           2HD      LYS  40  -6.906  11.525  -1.504
  312    HD3  LYS  40           3HD      LYS  40  -7.948  11.860  -0.124
  313    HE2  LYS  40           2HE      LYS  40  -6.104  11.183   1.418
  314    HE3  LYS  40           3HE      LYS  40  -5.069  10.882   0.008
  315    HZ1  LYS  40           3HZ      LYS  40  -6.175  13.549   0.652
  316    HZ2  LYS  40           1HZ      LYS  40  -4.673  13.017   1.052
  317    HZ3  LYS  40           2HZ      LYS  40  -5.058  13.175  -0.511
  318    H    MET  41           H        MET  41  -7.186   9.048  -4.165
  319    HA   MET  41           HA       MET  41  -6.109  11.761  -4.370
  320    HB2  MET  41           2HB      MET  41  -4.959  11.445  -6.513
  321    HB3  MET  41           3HB      MET  41  -4.175  10.548  -5.218
  322    HG2  MET  41           2HG      MET  41  -5.265   8.460  -5.992
  323    HG3  MET  41           3HG      MET  41  -6.065   9.358  -7.288
  324    HE1  MET  41           3HE      MET  41  -3.569   7.114  -9.195
  325    HE2  MET  41           1HE      MET  41  -4.423   6.734  -7.682
  326    HE3  MET  41           2HE      MET  41  -5.265   7.621  -8.985
  327    H    VAL  42           H        VAL  42  -7.394  13.097  -5.743
  328    HA   VAL  42           HA       VAL  42  -9.711  12.105  -7.019
  329    HB   VAL  42           HB       VAL  42  -9.485  14.433  -6.474
  330   HG11  VAL  42          1HG1      VAL  42  -7.417  14.695  -8.692
  331   HG12  VAL  42          2HG1      VAL  42  -8.122  16.006  -7.731
  332   HG13  VAL  42          3HG1      VAL  42  -7.076  14.813  -6.952
  333   HG21  VAL  42          3HG2      VAL  42 -11.011  13.752  -8.292
  334   HG22  VAL  42          1HG2      VAL  42 -10.420  15.414  -8.456
  335   HG23  VAL  42          2HG2      VAL  42  -9.737  14.133  -9.476
  336    H    ASP  43           H        ASP  43 -10.129  11.171  -8.931
  337    HA   ASP  43           HA       ASP  43  -7.960  10.000 -10.446
  338    HB2  ASP  43           2HB      ASP  43 -10.118   8.880 -10.084
  339    HB3  ASP  43           3HB      ASP  43 -10.938  10.141 -11.008
  340    HA   PRO  44           HA       PRO  44  -7.357  13.612 -12.924
  341    HB2  PRO  44           2HB      PRO  44  -5.488  12.712 -14.730
  342    HB3  PRO  44           3HB      PRO  44  -5.140  12.935 -12.989
  343    HG2  PRO  44           2HG      PRO  44  -5.950  10.363 -14.400
  344    HG3  PRO  44           3HG      PRO  44  -4.562  10.623 -13.288
  345    HD2  PRO  44           2HD      PRO  44  -6.895   9.590 -12.417
  346    HD3  PRO  44           3HD      PRO  44  -5.973  10.752 -11.412
  347    H    GLU  45           H        GLU  45  -8.826  10.794 -14.308
  348    HA   GLU  45           HA       GLU  45  -9.560  12.275 -16.819
  349    HB2  GLU  45           2HB      GLU  45  -9.827   9.327 -16.121
  350    HB3  GLU  45           3HB      GLU  45 -10.293  10.070 -17.643
  351    HG2  GLU  45           2HG      GLU  45  -7.466   9.834 -16.531
  352    HG3  GLU  45           3HG      GLU  45  -8.157   8.907 -17.852
  353    H    LYS  46           H        LYS  46 -10.693  11.486 -13.740
  354    HA   LYS  46           HA       LYS  46 -13.545  12.088 -14.382
  355    HB2  LYS  46           2HB      LYS  46 -12.541   9.704 -12.795
  356    HB3  LYS  46           3HB      LYS  46 -14.233  10.196 -12.908
  357    HG2  LYS  46           2HG      LYS  46 -14.296   9.724 -15.282
  358    HG3  LYS  46           3HG      LYS  46 -12.583   9.282 -15.297
  359    HD2  LYS  46           2HD      LYS  46 -14.727   7.940 -13.609
  360    HD3  LYS  46           3HD      LYS  46 -14.135   7.313 -15.159
  361    HE2  LYS  46           2HE      LYS  46 -12.615   7.571 -12.536
  362    HE3  LYS  46           3HE      LYS  46 -13.065   6.087 -13.372
  363    HZ1  LYS  46           3HZ      LYS  46 -11.494   6.743 -15.163
  364    HZ2  LYS  46           1HZ      LYS  46 -11.052   8.082 -14.286
  365    HZ3  LYS  46           2HZ      LYS  46 -10.734   6.629 -13.704
  366    HA   PRO  47           HA       PRO  47 -11.840  14.031 -10.450
  367    HB2  PRO  47           2HB      PRO  47 -12.091  16.704 -11.045
  368    HB3  PRO  47           3HB      PRO  47 -10.640  15.717 -11.400
  369    HG2  PRO  47           2HG      PRO  47 -12.941  16.380 -13.277
  370    HG3  PRO  47           3HG      PRO  47 -11.177  16.518 -13.594
  371    HD2  PRO  47           2HD      PRO  47 -12.593  14.366 -14.424
  372    HD3  PRO  47           3HD      PRO  47 -10.928  14.193 -13.790
  373    H    GLN  48           H        GLN  48 -14.734  14.112 -12.288
  374    HA   GLN  48           HA       GLN  48 -16.550  15.356 -10.472
  375    HB2  GLN  48           2HB      GLN  48 -17.052  14.800 -12.820
  376    HB3  GLN  48           3HB      GLN  48 -16.893  13.080 -12.469
  377    HG2  GLN  48           2HG      GLN  48 -19.231  13.705 -12.663
  378    HG3  GLN  48           3HG      GLN  48 -18.896  13.155 -11.032
  379   HE21  GLN  48          2HE2      GLN  48 -18.794  14.822  -9.291
  380   HE22  GLN  48          1HE2      GLN  48 -19.637  16.353  -9.547
  381    H    LEU  49           H        LEU  49 -14.997  12.108 -10.378
  382    HA   LEU  49           HA       LEU  49 -16.552  10.952  -8.265
  383    HB2  LEU  49           2HB      LEU  49 -13.606  10.860  -9.056
  384    HB3  LEU  49           3HB      LEU  49 -14.219   9.912  -7.726
  385    HG   LEU  49           HG       LEU  49 -15.352   9.611 -10.531
  386   HD11  LEU  49          1HD1      LEU  49 -13.067   8.194  -9.097
  387   HD12  LEU  49          2HD1      LEU  49 -13.833   7.610 -10.603
  388   HD13  LEU  49          3HD1      LEU  49 -12.970   9.168 -10.567
  389   HD21  LEU  49          3HD2      LEU  49 -15.375   7.892  -8.001
  390   HD22  LEU  49          1HD2      LEU  49 -16.764   8.759  -8.681
  391   HD23  LEU  49          2HD2      LEU  49 -16.049   7.408  -9.578
  392    H    GLY  50           H        GLY  50 -14.032  13.452  -8.172
  393    HA2  GLY  50           2HA      GLY  50 -12.834  14.394  -6.418
  394    HA3  GLY  50           3HA      GLY  50 -13.929  13.647  -5.250
  395    H    MET  51           H        MET  51 -12.131  12.970  -4.078
  396    HA   MET  51           HA       MET  51  -9.967  11.453  -5.029
  397    HB2  MET  51           2HB      MET  51 -10.728  11.666  -2.120
  398    HB3  MET  51           3HB      MET  51  -9.133  11.528  -2.863
  399    HG2  MET  51           2HG      MET  51  -9.782  13.860  -3.967
  400    HG3  MET  51           3HG      MET  51 -10.976  13.919  -2.674
  401    HE1  MET  51           3HE      MET  51  -7.290  13.037  -3.326
  402    HE2  MET  51           1HE      MET  51  -7.503  14.725  -3.826
  403    HE3  MET  51           2HE      MET  51  -6.430  14.338  -2.457
  404    H    ILE  52           H        ILE  52  -9.657   9.340  -5.237
  405    HA   ILE  52           HA       ILE  52 -11.535   7.432  -3.953
  406    HB   ILE  52           HB       ILE  52 -11.157   5.970  -6.013
  407   HG12  ILE  52          2HG1      ILE  52 -10.876   7.123  -8.169
  408   HG13  ILE  52          3HG1      ILE  52 -10.432   8.619  -7.358
  409   HG21  ILE  52          1HG2      ILE  52 -12.781   8.506  -6.363
  410   HG22  ILE  52          2HG2      ILE  52 -13.043   6.927  -7.147
  411   HG23  ILE  52          3HG2      ILE  52 -13.267   7.088  -5.402
  412   HD11  ILE  52          3HD1      ILE  52  -8.499   7.290  -8.258
  413   HD12  ILE  52          1HD1      ILE  52  -8.364   7.595  -6.535
  414   HD13  ILE  52          2HD1      ILE  52  -8.901   5.998  -7.092
  415    H    ASP  53           H        ASP  53 -10.763   5.246  -3.760
  416    HA   ASP  53           HA       ASP  53  -8.025   5.155  -2.689
  417    HB2  ASP  53           2HB      ASP  53  -8.860   3.203  -1.466
  418    HB3  ASP  53           3HB      ASP  53  -9.754   4.673  -1.118
  419    H    ARG  54           H        ARG  54  -6.818   4.834  -4.447
  420    HA   ARG  54           HA       ARG  54  -7.239   2.676  -6.424
  421    HB2  ARG  54           2HB      ARG  54  -5.855   5.130  -6.383
  422    HB3  ARG  54           3HB      ARG  54  -4.559   3.975  -6.209
  423    HG2  ARG  54           2HG      ARG  54  -4.808   4.547  -8.497
  424    HG3  ARG  54           3HG      ARG  54  -5.253   2.856  -8.307
  425    HD2  ARG  54           2HD      ARG  54  -7.597   3.359  -8.596
  426    HD3  ARG  54           3HD      ARG  54  -7.326   5.056  -8.192
  427    HE   ARG  54           HE       ARG  54  -5.911   4.319 -10.607
  428   HH11  ARG  54          1HH2      ARG  54  -9.149   5.206  -9.526
  429   HH12  ARG  54          2HH2      ARG  54  -9.355   6.268 -10.924
  430   HH21  ARG  54          1HH1      ARG  54  -6.427   5.645 -12.407
  431   HH22  ARG  54          2HH1      ARG  54  -7.992   6.459 -12.386
  432    H    TRP  55           H        TRP  55  -6.873   0.566  -5.751
  433    HA   TRP  55           HA       TRP  55  -5.014   0.076  -3.507
  434    HB2  TRP  55           2HB      TRP  55  -7.026  -1.708  -4.880
  435    HB3  TRP  55           3HB      TRP  55  -5.921  -2.253  -3.625
  436    HD1  TRP  55           HD1      TRP  55  -9.031  -0.135  -4.109
  437    HE1  TRP  55           HE1      TRP  55  -9.997   0.587  -1.851
  438    HE3  TRP  55           HE3      TRP  55  -5.307  -1.866  -1.034
  439    HZ2  TRP  55           HZ2      TRP  55  -9.303   0.366   0.932
  440    HZ3  TRP  55           HZ3      TRP  55  -5.427  -1.448   1.414
  441    HH2  TRP  55           HH2      TRP  55  -7.428  -0.377   2.411
  442    H    TYR  56           H        TYR  56  -3.445  -1.534  -3.473
  443    HA   TYR  56           HA       TYR  56  -2.172  -2.489  -5.965
  444    HB2  TYR  56           2HB      TYR  56  -0.822  -0.818  -3.799
  445    HB3  TYR  56           3HB      TYR  56  -0.022  -1.544  -5.190
  446    HD1  TYR  56           HD1      TYR  56  -0.657  -0.795  -7.504
  447    HD2  TYR  56           HD2      TYR  56  -1.873   1.342  -3.981
  448    HE1  TYR  56           HE1      TYR  56  -1.262   1.185  -8.921
  449    HE2  TYR  56           HE2      TYR  56  -2.491   3.307  -5.388
  450    HH   TYR  56           HH       TYR  56  -2.152   3.280  -8.953
  451    H    HIS  57           H        HIS  57  -0.735  -4.159  -5.680
  452    HA   HIS  57           HA       HIS  57  -0.769  -5.850  -3.281
  453    HB2  HIS  57           2HB      HIS  57   0.962  -5.940  -5.757
  454    HB3  HIS  57           3HB      HIS  57   1.084  -7.103  -4.477
  455    HD2  HIS  57           HD2      HIS  57  -1.392  -8.429  -3.868
  456    HE1  HIS  57           HE1      HIS  57  -2.635  -8.397  -7.930
  457    HE2  HIS  57           HE2      HIS  57  -2.999  -9.479  -5.688
  458    HA   PRO  58           HA       PRO  58   2.886  -4.145  -1.180
  459    HB2  PRO  58           2HB      PRO  58   4.224  -6.420  -0.356
  460    HB3  PRO  58           3HB      PRO  58   2.773  -5.738   0.432
  461    HG2  PRO  58           2HG      PRO  58   2.897  -7.951  -1.643
  462    HG3  PRO  58           3HG      PRO  58   2.015  -7.949  -0.080
  463    HD2  PRO  58           2HD      PRO  58   0.708  -7.376  -2.335
  464    HD3  PRO  58           3HD      PRO  58   0.421  -6.371  -0.892
  465    H    GLY  59           H        GLY  59   3.388  -6.349  -3.882
  466    HA2  GLY  59           2HA      GLY  59   6.202  -5.505  -4.277
  467    HA3  GLY  59           3HA      GLY  59   5.229  -6.513  -5.353
  468    H    CYS  60           HN       CYS  60   3.031  -4.990  -5.902
  469    HA   CYS  60           HA       CYS  60   4.014  -3.387  -7.941
  470    HB2  CYS  60           2HB      CYS  60   1.196  -3.515  -6.815
  471    HB3  CYS  60           3HB      CYS  60   1.653  -3.009  -8.449
  472    H    PHE  61           H        PHE  61   2.576  -2.325  -4.808
  473    HA   PHE  61           HA       PHE  61   2.417   0.422  -5.554
  474    HB2  PHE  61           2HB      PHE  61   1.707   0.810  -3.482
  475    HB3  PHE  61           3HB      PHE  61   1.558  -0.939  -3.423
  476    HD1  PHE  61           HD2      PHE  61   3.439  -2.290  -2.422
  477    HD2  PHE  61           HD1      PHE  61   3.242   1.979  -2.065
  478    HE1  PHE  61           HE2      PHE  61   4.892  -2.401  -0.388
  479    HE2  PHE  61           HE1      PHE  61   4.625   1.877   0.017
  480    HZ   PHE  61           HZ       PHE  61   5.453  -0.315   0.849
  481    H    VAL  62           H        VAL  62   5.160  -1.466  -4.323
  482    HA   VAL  62           HA       VAL  62   7.036   0.744  -4.289
  483    HB   VAL  62           HB       VAL  62   7.670  -2.212  -4.589
  484   HG11  VAL  62          1HG1      VAL  62   9.345   0.146  -3.628
  485   HG12  VAL  62          2HG1      VAL  62   9.833  -1.561  -3.567
  486   HG13  VAL  62          3HG1      VAL  62   9.586  -0.785  -5.128
  487   HG21  VAL  62          3HG2      VAL  62   6.387  -1.987  -2.584
  488   HG22  VAL  62          1HG2      VAL  62   8.066  -2.062  -2.086
  489   HG23  VAL  62          2HG2      VAL  62   7.226  -0.497  -2.114
  490    H    LYS  63           H        LYS  63   6.072  -1.587  -6.837
  491    HA   LYS  63           HA       LYS  63   8.024  -0.827  -8.761
  492    HB2  LYS  63           2HB      LYS  63   6.599  -2.837  -8.940
  493    HB3  LYS  63           3HB      LYS  63   5.171  -1.822  -9.144
  494    HG2  LYS  63           2HG      LYS  63   6.072  -0.945 -11.284
  495    HG3  LYS  63           3HG      LYS  63   7.494  -1.975 -11.085
  496    HD2  LYS  63           2HD      LYS  63   5.894  -2.996 -12.626
  497    HD3  LYS  63           3HD      LYS  63   6.089  -3.983 -11.186
  498    HE2  LYS  63           2HE      LYS  63   3.766  -3.937 -11.885
  499    HE3  LYS  63           3HE      LYS  63   3.927  -3.204 -10.294
  500    HZ1  LYS  63           3HZ      LYS  63   3.575  -1.051 -11.233
  501    HZ2  LYS  63           1HZ      LYS  63   3.824  -1.577 -12.778
  502    HZ3  LYS  63           2HZ      LYS  63   2.480  -2.000 -11.962
  503    H    ASN  64           H        ASN  64   4.906   0.700  -7.987
  504    HA   ASN  64           HA       ASN  64   5.531   2.929  -9.868
  505    HB2  ASN  64           2HB      ASN  64   2.932   3.361  -9.057
  506    HB3  ASN  64           3HB      ASN  64   3.499   2.768 -10.599
  507   HD21  ASN  64          1HD2      ASN  64   2.046   1.856  -7.524
  508   HD22  ASN  64          2HD2      ASN  64   1.473   0.298  -8.134
  509    H    ARG  65           H        ARG  65   6.477   2.416  -6.896
  510    HA   ARG  65           HA       ARG  65   5.758   4.121  -5.051
  511    HB2  ARG  65           2HB      ARG  65   7.750   2.784  -4.832
  512    HB3  ARG  65           3HB      ARG  65   8.441   3.451  -6.298
  513    HG2  ARG  65           2HG      ARG  65   8.800   5.647  -4.938
  514    HG3  ARG  65           3HG      ARG  65   8.450   4.632  -3.531
  515    HD2  ARG  65           2HD      ARG  65  10.837   4.763  -3.883
  516    HD3  ARG  65           3HD      ARG  65  10.298   3.116  -4.194
  517    HE   ARG  65           HE       ARG  65  11.023   5.162  -6.289
  518   HH11  ARG  65          1HH2      ARG  65  10.798   1.758  -5.453
  519   HH12  ARG  65          2HH2      ARG  65  11.517   1.265  -6.957
  520   HH21  ARG  65          1HH1      ARG  65  11.799   4.445  -8.233
  521   HH22  ARG  65          2HH1      ARG  65  12.108   2.741  -8.454
  522    H    GLU  66           H        GLU  66   7.823   5.244  -7.737
  523    HA   GLU  66           HA       GLU  66   7.605   7.971  -6.808
  524    HB2  GLU  66           2HB      GLU  66   9.174   8.520  -8.633
  525    HB3  GLU  66           3HB      GLU  66   9.720   7.269  -7.520
  526    HG2  GLU  66           2HG      GLU  66   9.012   5.525  -9.220
  527    HG3  GLU  66           3HG      GLU  66   8.671   6.845 -10.347
  528    H    GLU  67           H        GLU  67   5.755   6.125  -9.006
  529    HA   GLU  67           HA       GLU  67   4.492   8.421 -10.340
  530    HB2  GLU  67           2HB      GLU  67   4.702   6.224 -11.455
  531    HB3  GLU  67           3HB      GLU  67   3.639   5.510 -10.236
  532    HG2  GLU  67           2HG      GLU  67   1.795   6.959 -10.924
  533    HG3  GLU  67           3HG      GLU  67   2.854   7.839 -12.031
  534    H    LEU  68           H        LEU  68   3.864   6.212  -7.587
  535    HA   LEU  68           HA       LEU  68   1.444   7.545  -6.691
  536    HB2  LEU  68           2HB      LEU  68   3.409   5.772  -5.192
  537    HB3  LEU  68           3HB      LEU  68   1.812   6.232  -4.620
  538    HG   LEU  68           HG       LEU  68   2.478   4.422  -6.971
  539   HD11  LEU  68          1HD1      LEU  68   1.060   3.922  -4.328
  540   HD12  LEU  68          2HD1      LEU  68   1.295   2.729  -5.615
  541   HD13  LEU  68          3HD1      LEU  68   2.701   3.393  -4.759
  542   HD21  LEU  68          3HD2      LEU  68  -0.296   5.193  -6.017
  543   HD22  LEU  68          1HD2      LEU  68   0.460   5.759  -7.532
  544   HD23  LEU  68          2HD2      LEU  68   0.143   4.050  -7.301
  545    H    GLY  69           H        GLY  69   4.739   8.450  -6.493
  546    HA2  GLY  69           2HA      GLY  69   5.421  10.628  -5.974
  547    HA3  GLY  69           3HA      GLY  69   3.981  10.879  -4.992
  548    H    PHE  70           H        PHE  70   5.764   7.962  -4.260
  549    HA   PHE  70           HA       PHE  70   6.395   8.783  -1.574
  550    HB2  PHE  70           2HB      PHE  70   7.180   6.468  -3.339
  551    HB3  PHE  70           3HB      PHE  70   7.971   6.696  -1.798
  552    HD1  PHE  70           HD1      PHE  70   4.737   5.913  -3.419
  553    HD2  PHE  70           HD2      PHE  70   6.913   6.175   0.285
  554    HE1  PHE  70           HE1      PHE  70   2.981   4.558  -2.297
  555    HE2  PHE  70           HE2      PHE  70   5.173   4.805   1.405
  556    HZ   PHE  70           HZ       PHE  70   3.211   3.990   0.110
  557    H    ARG  71           H        ARG  71   8.121   9.655  -0.685
  558    HA   ARG  71           HA       ARG  71  10.782   9.725  -1.992
  559    HB2  ARG  71           2HB      ARG  71   9.289  12.063  -0.726
  560    HB3  ARG  71           3HB      ARG  71  11.030  12.066  -0.948
  561    HG2  ARG  71           2HG      ARG  71  10.854  11.968  -3.345
  562    HG3  ARG  71           3HG      ARG  71   9.112  11.664  -3.275
  563    HD2  ARG  71           2HD      ARG  71   9.578  13.987  -3.883
  564    HD3  ARG  71           3HD      ARG  71   8.661  13.834  -2.388
  565    HE   ARG  71           HE       ARG  71  11.559  14.580  -2.614
  566   HH11  ARG  71          1HH2      ARG  71   8.611  14.693  -0.621
  567   HH12  ARG  71          2HH2      ARG  71   9.540  15.428   0.691
  568   HH21  ARG  71          1HH1      ARG  71  12.499  15.608  -0.813
  569   HH22  ARG  71          2HH1      ARG  71  11.471  15.889   0.594
  570    HA   PRO  72           HA       PRO  72  12.331   8.107   1.671
  571    HB2  PRO  72           2HB      PRO  72  14.237  10.421   2.027
  572    HB3  PRO  72           3HB      PRO  72  14.570   8.663   2.099
  573    HG2  PRO  72           2HG      PRO  72  15.162  10.046  -0.152
  574    HG3  PRO  72           3HG      PRO  72  14.341   8.454  -0.289
  575    HD2  PRO  72           2HD      PRO  72  13.121  11.221  -0.428
  576    HD3  PRO  72           3HD      PRO  72  12.836   9.806  -1.483
  577    H    GLU  73           H        GLU  73  11.486  11.557   2.167
  578    HA   GLU  73           HA       GLU  73  11.507  11.256   5.063
  579    HB2  GLU  73           2HB      GLU  73  10.772  13.481   5.214
  580    HB3  GLU  73           3HB      GLU  73  11.971  13.404   3.926
  581    HG2  GLU  73           2HG      GLU  73  10.119  13.389   2.239
  582    HG3  GLU  73           3HG      GLU  73   8.947  13.528   3.553
  583    H    TYR  74           H        TYR  74   9.315  10.101   2.792
  584    HA   TYR  74           HA       TYR  74   7.474   9.362   4.922
  585    HB2  TYR  74           2HB      TYR  74   5.460  10.030   3.490
  586    HB3  TYR  74           3HB      TYR  74   6.275  11.217   4.470
  587    HD1  TYR  74           HD1      TYR  74   6.746   9.957   0.940
  588    HD2  TYR  74           HD2      TYR  74   6.319  13.321   3.594
  589    HE1  TYR  74           HE1      TYR  74   6.766  11.512  -1.014
  590    HE2  TYR  74           HE2      TYR  74   6.414  14.874   1.647
  591    HH   TYR  74           HH       TYR  74   6.529  13.671  -1.720
  592    H    SER  75           H        SER  75   9.026   7.636   4.205
  593    HA   SER  75           HA       SER  75   8.516   5.829   2.080
  594    HB2  SER  75           2HB      SER  75   9.822   4.334   3.449
  595    HB3  SER  75           3HB      SER  75  10.465   5.969   3.642
  596    HG   SER  75           HG       SER  75  10.244   5.100   5.700
  597    H    ALA  76           H        ALA  76   8.030   3.376   3.069
  598    HA   ALA  76           HA       ALA  76   5.263   3.004   3.358
  599    HB1  ALA  76           1HB      ALA  76   6.868   1.252   2.714
  600    HB2  ALA  76           2HB      ALA  76   7.590   1.294   4.339
  601    HB3  ALA  76           3HB      ALA  76   5.916   0.744   4.125
  602    H    SER  77           H        SER  77   7.491   4.067   5.889
  603    HA   SER  77           HA       SER  77   5.875   3.252   8.149
  604    HB2  SER  77           2HB      SER  77   8.021   5.374   7.767
  605    HB3  SER  77           3HB      SER  77   7.212   5.092   9.317
  606    HG   SER  77           HG       SER  77   7.940   2.982   9.316
  607    H    GLN  78           H        GLN  78   5.469   5.790   5.792
  608    HA   GLN  78           HA       GLN  78   3.594   7.265   7.499
  609    HB2  GLN  78           2HB      GLN  78   5.188   7.961   5.044
  610    HB3  GLN  78           3HB      GLN  78   3.728   8.861   5.412
  611    HG2  GLN  78           2HG      GLN  78   5.733   9.984   6.286
  612    HG3  GLN  78           3HG      GLN  78   4.528   9.647   7.488
  613   HE21  GLN  78          2HE2      GLN  78   5.143   8.490   9.312
  614   HE22  GLN  78          1HE2      GLN  78   6.769   7.825   9.522
  615    H    LEU  79           H        LEU  79   3.053   4.576   6.118
  616    HA   LEU  79           HA       LEU  79   0.579   5.231   4.615
  617    HB2  LEU  79           2HB      LEU  79   1.906   2.647   5.513
  618    HB3  LEU  79           3HB      LEU  79   0.328   2.694   4.746
  619    HG   LEU  79           HG       LEU  79   2.705   3.914   3.315
  620   HD11  LEU  79          1HD1      LEU  79   1.948   0.968   3.177
  621   HD12  LEU  79          2HD1      LEU  79   3.165   1.803   2.193
  622   HD13  LEU  79          3HD1      LEU  79   3.407   1.598   3.935
  623   HD21  LEU  79          3HD2      LEU  79   0.291   2.401   2.263
  624   HD22  LEU  79          1HD2      LEU  79   0.315   4.148   2.526
  625   HD23  LEU  79          2HD2      LEU  79   1.418   3.419   1.352
  626    H    LYS  80           H        LYS  80  -1.465   5.194   5.480
  627    HA   LYS  80           HA       LYS  80  -2.026   5.244   8.269
  628    HB2  LYS  80           2HB      LYS  80  -3.982   4.174   6.215
  629    HB3  LYS  80           3HB      LYS  80  -4.341   4.893   7.779
  630    HG2  LYS  80           2HG      LYS  80  -3.510   7.080   6.956
  631    HG3  LYS  80           3HG      LYS  80  -3.199   6.333   5.371
  632    HD2  LYS  80           2HD      LYS  80  -5.771   5.604   5.594
  633    HD3  LYS  80           3HD      LYS  80  -5.826   6.960   6.736
  634    HE2  LYS  80           2HE      LYS  80  -4.812   8.415   4.941
  635    HE3  LYS  80           3HE      LYS  80  -4.858   7.022   3.846
  636    HZ1  LYS  80           3HZ      LYS  80  -7.249   8.279   5.111
  637    HZ2  LYS  80           1HZ      LYS  80  -6.816   8.468   3.550
  638    HZ3  LYS  80           2HZ      LYS  80  -7.296   7.004   4.093
  639    H    GLY  81           H        GLY  81  -2.720   3.736   9.714
  640    HA2  GLY  81           2HA      GLY  81  -3.042   1.716  10.754
  641    HA3  GLY  81           3HA      GLY  81  -3.512   1.087   9.172
  642    H    PHE  82           H        PHE  82  -0.295   2.125   8.899
  643    HA   PHE  82           HA       PHE  82   0.696  -0.365   8.266
  644    HB2  PHE  82           2HB      PHE  82   1.815   1.520   7.463
  645    HB3  PHE  82           3HB      PHE  82   1.933   2.275   9.045
  646    HD1  PHE  82           HD1      PHE  82   3.528  -0.183   6.759
  647    HD2  PHE  82           HD2      PHE  82   3.630   1.704  10.638
  648    HE1  PHE  82           HE1      PHE  82   5.813  -1.067   7.136
  649    HE2  PHE  82           HE2      PHE  82   5.912   0.784  11.024
  650    HZ   PHE  82           HZ       PHE  82   6.980  -0.632   9.285
  651    H    SER  83           H        SER  83   0.936   1.260  11.474
  652    HA   SER  83           HA       SER  83   2.607  -0.731  12.637
  653    HB2  SER  83           2HB      SER  83   2.172   1.631  13.477
  654    HB3  SER  83           3HB      SER  83   0.690   0.989  14.222
  655    HG   SER  83           HG       SER  83   2.520   0.914  15.641
  656    H    LEU  84           H        LEU  84  -0.765  -0.871  11.927
  657    HA   LEU  84           HA       LEU  84  -1.444  -2.894  13.952
  658    HB2  LEU  84           2HB      LEU  84  -3.110  -1.843  11.640
  659    HB3  LEU  84           3HB      LEU  84  -3.682  -2.720  13.048
  660    HG   LEU  84           HG       LEU  84  -2.515   0.105  13.075
  661   HD11  LEU  84          1HD1      LEU  84  -5.370  -0.869  13.454
  662   HD12  LEU  84          2HD1      LEU  84  -4.795   0.809  13.586
  663   HD13  LEU  84          3HD1      LEU  84  -4.731  -0.027  12.024
  664   HD21  LEU  84          3HD2      LEU  84  -3.327   0.190  15.411
  665   HD22  LEU  84          1HD2      LEU  84  -3.771  -1.530  15.323
  666   HD23  LEU  84          2HD2      LEU  84  -2.066  -1.033  15.214
  667    H    LEU  85           H        LEU  85   0.090  -3.010  10.930
  668    HA   LEU  85           HA       LEU  85  -0.939  -5.562   9.945
  669    HB2  LEU  85           2HB      LEU  85   1.463  -3.814   9.374
  670    HB3  LEU  85           3HB      LEU  85   1.396  -5.423   8.724
  671    HG   LEU  85           HG       LEU  85  -0.448  -4.993   7.339
  672   HD11  LEU  85          1HD1      LEU  85  -0.737  -2.259   8.624
  673   HD12  LEU  85          2HD1      LEU  85  -1.592  -2.809   7.171
  674   HD13  LEU  85          3HD1      LEU  85  -1.908  -3.593   8.725
  675   HD21  LEU  85          3HD2      LEU  85   1.402  -2.565   7.334
  676   HD22  LEU  85          1HD2      LEU  85   1.764  -4.148   6.622
  677   HD23  LEU  85          2HD2      LEU  85   0.452  -3.156   5.957
  678    H    ALA  86           H        ALA  86   0.608  -7.440   9.662
  679    HA   ALA  86           HA       ALA  86   1.704  -8.410  12.161
  680    HB1  ALA  86           1HB      ALA  86   2.490 -10.280  10.755
  681    HB2  ALA  86           2HB      ALA  86   0.794  -9.894  10.396
  682    HB3  ALA  86           3HB      ALA  86   2.079  -9.365   9.289
  683    H    THR  87           H        THR  87   3.864  -8.507  12.839
  684    HA   THR  87           HA       THR  87   5.571  -6.398  12.301
  685    HB   THR  87           HB       THR  87   6.499  -9.125  13.240
  686    HG1  THR  87           1HG      THR  87   5.840  -8.430  15.284
  687   HG21  THR  87          1HG2      THR  87   7.386  -6.286  13.954
  688   HG22  THR  87          2HG2      THR  87   8.006  -7.779  14.697
  689   HG23  THR  87          3HG2      THR  87   8.312  -7.453  12.987
  690    H    GLU  88           H        GLU  88   5.718  -9.642  10.799
  691    HA   GLU  88           HA       GLU  88   8.093  -9.209   9.286
  692    HB2  GLU  88           2HB      GLU  88   7.433 -11.147   8.004
  693    HB3  GLU  88           3HB      GLU  88   7.176 -11.418   9.725
  694    HG2  GLU  88           2HG      GLU  88   4.723 -10.927   9.391
  695    HG3  GLU  88           3HG      GLU  88   5.023 -10.788   7.657
  696    H    ASP  89           H        ASP  89   4.770  -8.164   8.604
  697    HA   ASP  89           HA       ASP  89   5.459  -7.318   5.848
  698    HB2  ASP  89           2HB      ASP  89   2.976  -6.838   7.530
  699    HB3  ASP  89           3HB      ASP  89   3.207  -6.269   5.879
  700    H    LYS  90           H        LYS  90   5.019  -5.850   9.075
  701    HA   LYS  90           HA       LYS  90   5.475  -3.125   8.337
  702    HB2  LYS  90           2HB      LYS  90   6.054  -4.655  10.906
  703    HB3  LYS  90           3HB      LYS  90   6.278  -2.909  10.744
  704    HG2  LYS  90           2HG      LYS  90   3.975  -2.533  10.285
  705    HG3  LYS  90           3HG      LYS  90   3.636  -4.247  10.057
  706    HD2  LYS  90           2HD      LYS  90   2.718  -3.499  12.144
  707    HD3  LYS  90           3HD      LYS  90   3.975  -4.702  12.432
  708    HE2  LYS  90           2HE      LYS  90   5.565  -2.955  13.079
  709    HE3  LYS  90           3HE      LYS  90   4.411  -1.695  12.618
  710    HZ1  LYS  90           3HZ      LYS  90   2.910  -2.568  14.376
  711    HZ2  LYS  90           1HZ      LYS  90   4.062  -3.628  14.851
  712    HZ3  LYS  90           2HZ      LYS  90   4.316  -2.017  14.996
  713    H    GLU  91           H        GLU  91   7.813  -5.726   9.058
  714    HA   GLU  91           HA       GLU  91  10.154  -4.092   8.444
  715    HB2  GLU  91           2HB      GLU  91   9.709  -7.116   8.367
  716    HB3  GLU  91           3HB      GLU  91  11.251  -6.304   8.090
  717    HG2  GLU  91           2HG      GLU  91  11.151  -5.349  10.389
  718    HG3  GLU  91           3HG      GLU  91   9.642  -6.231  10.670
  719    H    ALA  92           H        ALA  92   8.294  -6.514   6.440
  720    HA   ALA  92           HA       ALA  92  10.076  -6.298   4.278
  721    HB1  ALA  92           1HB      ALA  92   7.200  -7.267   4.326
  722    HB2  ALA  92           2HB      ALA  92   8.393  -7.601   3.049
  723    HB3  ALA  92           3HB      ALA  92   8.659  -8.227   4.685
  724    H    LEU  93           H        LEU  93   7.121  -4.384   4.862
  725    HA   LEU  93           HA       LEU  93   7.008  -3.185   2.227
  726    HB2  LEU  93           2HB      LEU  93   6.017  -2.238   4.946
  727    HB3  LEU  93           3HB      LEU  93   5.636  -1.444   3.420
  728    HG   LEU  93           HG       LEU  93   4.861  -4.332   4.029
  729   HD11  LEU  93          1HD1      LEU  93   3.245  -1.755   4.213
  730   HD12  LEU  93          2HD1      LEU  93   2.594  -3.404   4.365
  731   HD13  LEU  93          3HD1      LEU  93   3.742  -2.791   5.570
  732   HD21  LEU  93          3HD2      LEU  93   4.981  -3.845   1.626
  733   HD22  LEU  93          1HD2      LEU  93   3.309  -4.047   2.163
  734   HD23  LEU  93          2HD2      LEU  93   3.944  -2.414   1.866
  735    H    LYS  94           H        LYS  94   8.599  -2.156   5.285
  736    HA   LYS  94           HA       LYS  94   9.876   0.192   4.173
  737    HB2  LYS  94           2HB      LYS  94  10.477  -1.547   6.609
  738    HB3  LYS  94           3HB      LYS  94  11.332  -0.049   6.216
  739    HG2  LYS  94           2HG      LYS  94   9.283   1.260   6.436
  740    HG3  LYS  94           3HG      LYS  94   8.313  -0.198   6.637
  741    HD2  LYS  94           2HD      LYS  94   8.687   0.865   8.800
  742    HD3  LYS  94           3HD      LYS  94   9.409  -0.737   8.740
  743    HE2  LYS  94           2HE      LYS  94  10.869   0.751   9.919
  744    HE3  LYS  94           3HE      LYS  94  11.642   0.224   8.429
  745    HZ1  LYS  94           3HZ      LYS  94  11.117   2.376   7.446
  746    HZ2  LYS  94           1HZ      LYS  94  10.192   2.825   8.707
  747    HZ3  LYS  94           2HZ      LYS  94  11.818   2.682   8.889
  748    H    LYS  95           H        LYS  95  10.944  -3.208   4.572
  749    HA   LYS  95           HA       LYS  95  13.604  -2.759   3.680
  750    HB2  LYS  95           2HB      LYS  95  11.875  -5.241   3.770
  751    HB3  LYS  95           3HB      LYS  95  13.514  -5.299   3.116
  752    HG2  LYS  95           2HG      LYS  95  14.486  -4.488   5.161
  753    HG3  LYS  95           3HG      LYS  95  12.907  -4.183   5.886
  754    HD2  LYS  95           2HD      LYS  95  12.404  -6.581   5.944
  755    HD3  LYS  95           3HD      LYS  95  13.917  -6.946   5.078
  756    HE2  LYS  95           2HE      LYS  95  15.236  -5.960   6.897
  757    HE3  LYS  95           3HE      LYS  95  13.765  -5.521   7.775
  758    HZ1  LYS  95           3HZ      LYS  95  14.938  -7.646   8.471
  759    HZ2  LYS  95           1HZ      LYS  95  13.342  -7.766   8.282
  760    HZ3  LYS  95           2HZ      LYS  95  14.361  -8.350   7.115
  761    H    GLN  96           H        GLN  96  10.734  -3.027   1.768
  762    HA   GLN  96           HA       GLN  96  12.266  -3.110  -0.788
  763    HB2  GLN  96           2HB      GLN  96   9.296  -3.234  -0.164
  764    HB3  GLN  96           3HB      GLN  96   9.991  -3.256  -1.793
  765    HG2  GLN  96           2HG      GLN  96  11.106  -5.352  -1.418
  766    HG3  GLN  96           3HG      GLN  96  10.709  -5.344   0.302
  767   HE21  GLN  96          2HE2      GLN  96   8.402  -5.465   0.916
  768   HE22  GLN  96          1HE2      GLN  96   7.294  -6.330  -0.163
  769    H    LEU  97           H        LEU  97  10.273  -0.897   1.177
  770    HA   LEU  97           HA       LEU  97  11.183   1.387  -0.500
  771    HB2  LEU  97           2HB      LEU  97   9.024   0.728  -1.255
  772    HB3  LEU  97           3HB      LEU  97   8.351   0.721   0.368
  773    HG   LEU  97           HG       LEU  97   8.205   3.058   0.477
  774   HD11  LEU  97          1HD1      LEU  97  10.174   3.223  -1.836
  775   HD12  LEU  97          2HD1      LEU  97   9.249   4.604  -1.188
  776   HD13  LEU  97          3HD1      LEU  97  10.428   3.785  -0.170
  777   HD21  LEU  97          3HD2      LEU  97   7.051   3.671  -1.600
  778   HD22  LEU  97          1HD2      LEU  97   7.833   2.330  -2.458
  779   HD23  LEU  97          2HD2      LEU  97   6.681   2.006  -1.153
  780    HA   PRO  98           HA       PRO  98  11.828   2.236   3.959
  781    HB2  PRO  98           2HB      PRO  98  14.573   2.442   4.029
  782    HB3  PRO  98           3HB      PRO  98  13.689   0.904   4.122
  783    HG2  PRO  98           2HG      PRO  98  15.206   2.055   1.820
  784    HG3  PRO  98           3HG      PRO  98  14.838   0.342   2.205
  785    HD2  PRO  98           2HD      PRO  98  13.492   2.048   0.330
  786    HD3  PRO  98           3HD      PRO  98  13.072   0.385   0.817
  787    H    GLY  99           H        GLY  99  12.471   4.224   5.093
  788    HA2  GLY  99           2HA      GLY  99  14.145   6.206   3.920
  789    HA3  GLY  99           3HA      GLY  99  12.463   6.721   3.858
  790    H    VAL 100           H        VAL 100  13.415   8.395   5.216
  791    HA   VAL 100           HA       VAL 100  14.118   9.539   7.004
  792    HB   VAL 100           HB       VAL 100  12.231   7.630   8.393
  793   HG11  VAL 100          1HG1      VAL 100  13.323  10.303   9.384
  794   HG12  VAL 100          2HG1      VAL 100  11.962   9.418  10.104
  795   HG13  VAL 100          3HG1      VAL 100  13.574   8.710  10.144
  796   HG21  VAL 100          3HG2      VAL 100  11.882  10.439   7.258
  797   HG22  VAL 100          1HG2      VAL 100  11.219   8.946   6.565
  798   HG23  VAL 100          2HG2      VAL 100  10.638   9.515   8.130
  799    H    LYS 101           H        LYS 101  15.504   9.858   8.670
  800    HA   LYS 101           HA       LYS 101  17.685   7.939   8.654
  801    HB2  LYS 101           2HB      LYS 101  17.721  10.538   8.317
  802    HB3  LYS 101           3HB      LYS 101  17.745  10.603  10.083
  803    HG2  LYS 101           2HG      LYS 101  19.778   9.036   9.980
  804    HG3  LYS 101           3HG      LYS 101  19.678   9.153   8.221
  805    HD2  LYS 101           2HD      LYS 101  21.398  10.651   8.979
  806    HD3  LYS 101           3HD      LYS 101  20.043  11.629   8.392
  807    HE2  LYS 101           2HE      LYS 101  19.278  11.966  10.739
  808    HE3  LYS 101           3HE      LYS 101  20.600  10.945  11.320
  809    HZ1  LYS 101           3HZ      LYS 101  21.160  13.304  11.477
  810    HZ2  LYS 101           1HZ      LYS 101  22.169  12.576  10.423
  811    HZ3  LYS 101           2HZ      LYS 101  20.952  13.519   9.874
  812    H    SER 102           H        SER 102  15.640   6.777  10.089
  813    HA   SER 102           HA       SER 102  15.777   7.179  12.935
  814    HB2  SER 102           2HB      SER 102  14.528   5.045  13.047
  815    HB3  SER 102           3HB      SER 102  13.826   6.205  11.905
  816    HG   SER 102           HG       SER 102  13.987   4.045  11.059
  817    H    GLU 103           H        GLU 103  17.819   5.333  10.788
  818    HA   GLU 103           HA       GLU 103  19.128   3.675  12.761
  819    HB2  GLU 103           2HB      GLU 103  19.188   3.194  10.370
  820    HB3  GLU 103           3HB      GLU 103  19.940   4.747  10.030
  821    HG2  GLU 103           2HG      GLU 103  21.544   2.912   9.865
  822    HG3  GLU 103           3HG      GLU 103  22.003   4.087  11.086
  823    H    GLY 104           H        GLY 104  19.493   7.073  11.900
  824    HA2  GLY 104           2HA      GLY 104  20.675   8.776  12.858
  825    HA3  GLY 104           3HA      GLY 104  21.147   7.674  14.149
  826    H    LYS 105           H        LYS 105  22.815   5.928  13.226
  827    HA   LYS 105           HA       LYS 105  25.184   7.546  12.557
  828    HB2  LYS 105           2HB      LYS 105  26.459   5.796  13.539
  829    HB3  LYS 105           3HB      LYS 105  25.071   6.109  14.577
  830    HG2  LYS 105           2HG      LYS 105  23.923   4.099  13.616
  831    HG3  LYS 105           3HG      LYS 105  25.344   3.797  12.601
  832    HD2  LYS 105           2HD      LYS 105  26.719   3.703  14.748
  833    HD3  LYS 105           3HD      LYS 105  25.193   3.679  15.639
  834    HE2  LYS 105           2HE      LYS 105  26.071   1.671  13.504
  835    HE3  LYS 105           3HE      LYS 105  26.200   1.416  15.246
  836    HZ1  LYS 105           3HZ      LYS 105  23.654   1.748  13.740
  837    HZ2  LYS 105           1HZ      LYS 105  24.231   0.354  14.344
  838    HZ3  LYS 105           2HZ      LYS 105  23.763   1.548  15.371
  839    H    ARG 106           H        ARG 106  23.204   5.699  10.686
  840    HA   ARG 106           HA       ARG 106  23.210   4.632   8.699
  841    HB2  ARG 106           2HB      ARG 106  24.414   6.670   7.933
  842    HB3  ARG 106           3HB      ARG 106  25.950   5.827   8.167
  843    HG2  ARG 106           2HG      ARG 106  25.319   4.155   6.468
  844    HG3  ARG 106           3HG      ARG 106  23.735   4.940   6.268
  845    HD2  ARG 106           2HD      ARG 106  24.857   7.005   5.510
  846    HD3  ARG 106           3HD      ARG 106  26.443   6.247   5.765
  847    HE   ARG 106           HE       ARG 106  24.909   4.595   4.016
  848   HH11  ARG 106          1HH2      ARG 106  26.543   7.692   3.902
  849   HH12  ARG 106          2HH2      ARG 106  26.823   7.584   2.183
  850   HH21  ARG 106          1HH1      ARG 106  25.297   4.521   1.829
  851   HH22  ARG 106          2HH1      ARG 106  26.130   5.833   1.049
  852    H    LYS 107           H        LYS 107  23.727   2.673   7.732
  853    HA   LYS 107           HA       LYS 107  24.992   0.708   9.440
  854    HB2  LYS 107           2HB      LYS 107  24.060   0.500   6.543
  855    HB3  LYS 107           3HB      LYS 107  24.540  -0.859   7.550
  856    HG2  LYS 107           2HG      LYS 107  22.111   0.919   7.976
  857    HG3  LYS 107           3HG      LYS 107  22.145  -0.750   7.406
  858    HD2  LYS 107           2HD      LYS 107  23.222  -1.368   9.662
  859    HD3  LYS 107           3HD      LYS 107  22.811   0.278  10.188
  860    HE2  LYS 107           2HE      LYS 107  20.400  -0.254   9.452
  861    HE3  LYS 107           3HE      LYS 107  20.930  -1.934   9.268
  862    HZ1  LYS 107           3HZ      LYS 107  20.041  -1.704  11.452
  863    HZ2  LYS 107           1HZ      LYS 107  21.671  -1.752  11.680
  864    HZ3  LYS 107           2HZ      LYS 107  20.854  -0.318  11.747
  865    H    GLY 108           H        GLY 108  26.697  -0.707   8.926
  866    HA2  GLY 108           2HA      GLY 108  28.691  -0.291   6.917
  867    HA3  GLY 108           3HA      GLY 108  29.178   0.551   8.391
  868    H    ASP 109           H        ASP 109  29.552  -0.660  10.308
  869    HA   ASP 109           HA       ASP 109  30.796  -3.222   9.980
  870    HB2  ASP 109           2HB      ASP 109  31.401  -1.437  11.641
  871    HB3  ASP 109           3HB      ASP 109  29.913  -1.793  12.519
  872    H    GLU 110           H        GLU 110  27.499  -2.497  10.452
  873    HA   GLU 110           HA       GLU 110  26.819  -5.128  11.480
  874    HB2  GLU 110           2HB      GLU 110  25.034  -2.899  10.418
  875    HB3  GLU 110           3HB      GLU 110  24.465  -4.381  11.212
  876    HG2  GLU 110           2HG      GLU 110  25.658  -3.755  13.282
  877    HG3  GLU 110           3HG      GLU 110  26.243  -2.275  12.510
  878    H    VAL 111           H        VAL 111  28.373  -5.318   9.223
  879    HA   VAL 111           HA       VAL 111  28.643  -6.255   7.204
  880    HB   VAL 111           HB       VAL 111  26.219  -7.986   7.733
  881   HG11  VAL 111          1HG1      VAL 111  27.450  -8.336   5.574
  882   HG12  VAL 111          2HG1      VAL 111  28.957  -8.547   6.483
  883   HG13  VAL 111          3HG1      VAL 111  27.627  -9.711   6.663
  884   HG21  VAL 111          3HG2      VAL 111  28.990  -8.220   8.987
  885   HG22  VAL 111          1HG2      VAL 111  27.455  -7.967   9.847
  886   HG23  VAL 111          2HG2      VAL 111  27.746  -9.488   9.010
  887    H    ASP 112           H        ASP 112  27.717  -3.890   6.783
  888    HA   ASP 112           HA       ASP 112  25.424  -3.670   5.033
  889    HB2  ASP 112           2HB      ASP 112  26.365  -1.762   6.230
  890    HB3  ASP 112           3HB      ASP 112  27.878  -1.912   5.341
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1   8.591  13.242  24.943
    2    H2   GLY   1           H2       GLY   1   8.649  13.414  23.313
    3    H3   GLY   1           H3       GLY   1  10.024  13.130  24.153
    4    HA2  GLY   1           2HA      GLY   1   9.256  10.940  24.800
    5    HA3  GLY   1           3HA      GLY   1   7.771  11.247  23.881
    6    H    SER   2           H        SER   2   8.632   9.120  22.938
    7    HA   SER   2           HA       SER   2  10.897   9.070  21.205
    8    HB2  SER   2           2HB      SER   2   8.392   7.357  21.065
    9    HB3  SER   2           3HB      SER   2   9.980   6.971  20.382
   10    HG   SER   2           HG       SER   2  10.822   6.909  22.505
   11    H    LYS   3           H        LYS   3  11.085   9.049  18.984
   12    HA   LYS   3           HA       LYS   3   9.253  10.882  17.523
   13    HB2  LYS   3           2HB      LYS   3  12.026   9.865  16.858
   14    HB3  LYS   3           3HB      LYS   3  11.119  11.059  15.927
   15    HG2  LYS   3           2HG      LYS   3  11.255  12.677  17.737
   16    HG3  LYS   3           3HG      LYS   3  11.969  11.476  18.825
   17    HD2  LYS   3           2HD      LYS   3  13.737  12.906  17.993
   18    HD3  LYS   3           3HD      LYS   3  13.941  11.270  17.355
   19    HE2  LYS   3           2HE      LYS   3  12.741  12.080  15.234
   20    HE3  LYS   3           3HE      LYS   3  12.863  13.720  15.886
   21    HZ1  LYS   3           3HZ      LYS   3  15.302  13.415  15.893
   22    HZ2  LYS   3           1HZ      LYS   3  15.124  11.885  15.295
   23    HZ3  LYS   3           2HZ      LYS   3  14.690  13.153  14.388
   24    H    ALA   4           H        ALA   4   8.098   8.388  17.901
   25    HA   ALA   4           HA       ALA   4   8.447   6.603  15.673
   26    HB1  ALA   4           1HB      ALA   4   6.316   5.632  16.432
   27    HB2  ALA   4           2HB      ALA   4   7.410   5.916  17.799
   28    HB3  ALA   4           3HB      ALA   4   6.048   7.023  17.503
   29    H    GLU   5           H        GLU   5   7.319   6.413  13.729
   30    HA   GLU   5           HA       GLU   5   6.553   8.974  12.584
   31    HB2  GLU   5           2HB      GLU   5   6.815   6.203  11.361
   32    HB3  GLU   5           3HB      GLU   5   6.416   7.669  10.458
   33    HG2  GLU   5           2HG      GLU   5   8.543   8.721  11.261
   34    HG3  GLU   5           3HG      GLU   5   8.980   7.192  12.031
   35    H    LYS   6           H        LYS   6   4.753   9.428  11.307
   36    HA   LYS   6           HA       LYS   6   2.272   7.845  11.643
   37    HB2  LYS   6           2HB      LYS   6   0.942   9.775  12.197
   38    HB3  LYS   6           3HB      LYS   6   2.225   9.602  13.392
   39    HG2  LYS   6           2HG      LYS   6   3.525  11.407  12.251
   40    HG3  LYS   6           3HG      LYS   6   2.227  11.568  11.052
   41    HD2  LYS   6           2HD      LYS   6   0.633  12.177  12.882
   42    HD3  LYS   6           3HD      LYS   6   1.944  12.009  14.054
   43    HE2  LYS   6           2HE      LYS   6   1.714  14.339  13.618
   44    HE3  LYS   6           3HE      LYS   6   3.218  13.810  12.861
   45    HZ1  LYS   6           3HZ      LYS   6   1.911  15.250  11.393
   46    HZ2  LYS   6           1HZ      LYS   6   2.036  13.771  10.718
   47    HZ3  LYS   6           2HZ      LYS   6   0.638  14.234  11.434
   48    H    THR   7           H        THR   7   0.580   8.516  10.062
   49    HA   THR   7           HA       THR   7   1.598   8.296   7.486
   50    HB   THR   7           HB       THR   7  -1.146   9.410   8.037
   51    HG1  THR   7           1HG      THR   7  -1.799   7.492   8.707
   52   HG21  THR   7          1HG2      THR   7  -0.151   8.764   5.610
   53   HG22  THR   7          2HG2      THR   7  -0.544   7.158   6.126
   54   HG23  THR   7          3HG2      THR   7  -1.801   8.427   6.050
   55    H    LEU   8           H        LEU   8   1.905   9.612   5.718
   56    HA   LEU   8           HA       LEU   8   2.009  12.505   6.081
   57    HB2  LEU   8           2HB      LEU   8   3.020  12.658   4.068
   58    HB3  LEU   8           3HB      LEU   8   3.495  11.042   4.556
   59    HG   LEU   8           HG       LEU   8   1.313  11.781   2.539
   60   HD11  LEU   8          1HD1      LEU   8   2.812  10.819   0.884
   61   HD12  LEU   8          2HD1      LEU   8   3.635  12.125   1.750
   62   HD13  LEU   8          3HD1      LEU   8   4.005  10.431   2.140
   63   HD21  LEU   8          3HD2      LEU   8   2.322   9.049   3.402
   64   HD22  LEU   8          1HD2      LEU   8   0.687   9.664   3.643
   65   HD23  LEU   8          2HD2      LEU   8   1.261   9.359   2.008
   66    H    GLY   9           H        GLY   9  -0.612  10.460   5.349
   67    HA2  GLY   9           2HA      GLY   9  -2.844  11.136   5.318
   68    HA3  GLY   9           3HA      GLY   9  -2.381  12.755   4.817
   69    H    ASP  10           H        ASP  10  -1.066  10.121   2.847
   70    HA   ASP  10           HA       ASP  10  -3.133  10.645   0.770
   71    HB2  ASP  10           2HB      ASP  10  -0.122  10.814   0.455
   72    HB3  ASP  10           3HB      ASP  10  -1.259  10.783  -0.890
   73    H    PHE  11           H        PHE  11  -1.330   8.156   2.368
   74    HA   PHE  11           HA       PHE  11  -2.606   6.229   0.593
   75    HB2  PHE  11           2HB      PHE  11  -0.353   4.962   0.331
   76    HB3  PHE  11           3HB      PHE  11  -0.831   6.217  -0.750
   77    HD1  PHE  11           HD2      PHE  11   1.188   6.100   2.482
   78    HD2  PHE  11           HD1      PHE  11   0.814   7.548  -1.567
   79    HE1  PHE  11           HE2      PHE  11   3.485   7.005   2.587
   80    HE2  PHE  11           HE1      PHE  11   3.081   8.532  -1.416
   81    HZ   PHE  11           HZ       PHE  11   4.432   8.240   0.655
   82    H    ALA  12           H        ALA  12  -2.572   4.030   1.316
   83    HA   ALA  12           HA       ALA  12  -2.492   3.769   4.287
   84    HB1  ALA  12           1HB      ALA  12  -4.815   3.047   2.471
   85    HB2  ALA  12           2HB      ALA  12  -4.769   2.917   4.236
   86    HB3  ALA  12           3HB      ALA  12  -4.736   4.516   3.454
   87    H    ALA  13           H        ALA  13  -2.621   1.620   5.118
   88    HA   ALA  13           HA       ALA  13  -2.021  -0.652   3.300
   89    HB1  ALA  13           1HB      ALA  13   0.085   0.420   4.124
   90    HB2  ALA  13           2HB      ALA  13  -0.436   0.129   5.793
   91    HB3  ALA  13           3HB      ALA  13  -0.112  -1.244   4.698
   92    H    GLU  14           H        GLU  14  -3.028  -2.588   3.949
   93    HA   GLU  14           HA       GLU  14  -4.113  -2.939   6.650
   94    HB2  GLU  14           2HB      GLU  14  -5.672  -1.327   5.345
   95    HB3  GLU  14           3HB      GLU  14  -5.986  -2.677   4.255
   96    HG2  GLU  14           2HG      GLU  14  -6.871  -3.982   6.208
   97    HG3  GLU  14           3HG      GLU  14  -6.499  -2.622   7.265
   98    H    TYR  15           H        TYR  15  -4.952  -5.190   6.874
   99    HA   TYR  15           HA       TYR  15  -4.075  -7.035   4.767
  100    HB2  TYR  15           2HB      TYR  15  -5.609  -7.470   7.341
  101    HB3  TYR  15           3HB      TYR  15  -5.118  -8.746   6.231
  102    HD1  TYR  15           HD1      TYR  15  -2.467  -8.348   5.433
  103    HD2  TYR  15           HD2      TYR  15  -4.157  -7.165   9.208
  104    HE1  TYR  15           HE1      TYR  15  -0.272  -8.779   6.551
  105    HE2  TYR  15           HE2      TYR  15  -1.965  -7.564  10.310
  106    HH   TYR  15           HH       TYR  15   0.881  -8.769   8.467
  107    H    ALA  16           H        ALA  16  -5.208  -7.917   3.187
  108    HA   ALA  16           HA       ALA  16  -7.442  -6.563   2.185
  109    HB1  ALA  16           1HB      ALA  16  -6.245  -9.232   1.434
  110    HB2  ALA  16           2HB      ALA  16  -7.363  -8.294   0.415
  111    HB3  ALA  16           3HB      ALA  16  -5.753  -7.650   0.806
  112    H    LYS  17           H        LYS  17  -9.476  -6.613   2.792
  113    HA   LYS  17           HA       LYS  17 -10.520  -8.665   4.543
  114    HB2  LYS  17           2HB      LYS  17 -11.873  -6.249   3.262
  115    HB3  LYS  17           3HB      LYS  17 -12.556  -7.252   4.549
  116    HG2  LYS  17           2HG      LYS  17 -10.640  -6.637   6.036
  117    HG3  LYS  17           3HG      LYS  17  -9.988  -5.610   4.756
  118    HD2  LYS  17           2HD      LYS  17 -11.115  -4.205   6.316
  119    HD3  LYS  17           3HD      LYS  17 -12.056  -4.222   4.818
  120    HE2  LYS  17           2HE      LYS  17 -13.629  -5.863   5.821
  121    HE3  LYS  17           3HE      LYS  17 -12.655  -5.906   7.296
  122    HZ1  LYS  17           3HZ      LYS  17 -14.066  -3.504   6.257
  123    HZ2  LYS  17           1HZ      LYS  17 -14.547  -4.404   7.528
  124    HZ3  LYS  17           2HZ      LYS  17 -13.165  -3.543   7.621
  125    H    SER  18           H        SER  18 -10.702  -8.241   1.106
  126    HA   SER  18           HA       SER  18 -12.152 -10.768   0.827
  127    HB2  SER  18           2HB      SER  18 -13.993  -9.091   0.993
  128    HB3  SER  18           3HB      SER  18 -13.321  -8.240  -0.416
  129    HG   SER  18           HG       SER  18 -15.045  -9.932  -0.726
  130    H    ASN  19           H        ASN  19 -12.007 -11.669  -1.245
  131    HA   ASN  19           HA       ASN  19  -9.786 -10.950  -2.965
  132    HB2  ASN  19           2HB      ASN  19 -12.137 -12.863  -3.350
  133    HB3  ASN  19           3HB      ASN  19 -10.733 -12.760  -4.408
  134   HD21  ASN  19          2HD2      ASN  19  -8.682 -13.552  -3.662
  135   HD22  ASN  19          1HD2      ASN  19  -8.662 -14.700  -2.332
  136    H    ARG  20           H        ARG  20 -12.885  -9.584  -2.656
  137    HA   ARG  20           HA       ARG  20 -13.267  -8.597  -5.370
  138    HB2  ARG  20           2HB      ARG  20 -14.181  -7.504  -2.667
  139    HB3  ARG  20           3HB      ARG  20 -14.745  -6.922  -4.228
  140    HG2  ARG  20           2HG      ARG  20 -15.192  -9.741  -3.152
  141    HG3  ARG  20           3HG      ARG  20 -16.367  -8.422  -3.154
  142    HD2  ARG  20           2HD      ARG  20 -16.232  -8.348  -5.642
  143    HD3  ARG  20           3HD      ARG  20 -15.132  -9.746  -5.595
  144    HE   ARG  20           HE       ARG  20 -17.429 -10.471  -4.135
  145   HH11  ARG  20          1HH2      ARG  20 -16.727  -9.705  -7.482
  146   HH12  ARG  20          2HH2      ARG  20 -18.025 -10.706  -8.077
  147   HH21  ARG  20          1HH1      ARG  20 -19.067 -11.723  -4.962
  148   HH22  ARG  20          2HH1      ARG  20 -19.310 -11.815  -6.681
  149    H    SER  21           H        SER  21 -10.965  -7.741  -2.931
  150    HA   SER  21           HA       SER  21 -10.344  -5.053  -3.820
  151    HB2  SER  21           2HB      SER  21  -8.435  -7.125  -2.667
  152    HB3  SER  21           3HB      SER  21  -8.218  -5.358  -2.721
  153    HG   SER  21           HG       SER  21  -9.985  -6.929  -1.171
  154    H    THR  22           H        THR  22  -9.044  -4.368  -5.579
  155    HA   THR  22           HA       THR  22  -7.654  -6.447  -7.200
  156    HB   THR  22           HB       THR  22  -9.472  -4.384  -8.427
  157    HG1  THR  22           1HG      THR  22 -10.722  -5.962  -7.440
  158   HG21  THR  22          1HG2      THR  22  -8.153  -6.814  -9.688
  159   HG22  THR  22          2HG2      THR  22  -9.190  -5.635 -10.506
  160   HG23  THR  22          3HG2      THR  22  -7.601  -5.135  -9.917
  161    H    CYS  23           HN       CYS  23  -5.750  -5.874  -7.932
  162    HA   CYS  23           HA       CYS  23  -4.598  -3.412  -6.971
  163    HB2  CYS  23           2HB      CYS  23  -3.394  -5.464  -6.815
  164    HB3  CYS  23           3HB      CYS  23  -3.694  -5.828  -8.515
  165    H    LYS  24           H        LYS  24  -4.879  -1.603  -7.987
  166    HA   LYS  24           HA       LYS  24  -5.420  -1.251 -10.830
  167    HB2  LYS  24           2HB      LYS  24  -4.550   0.727  -8.675
  168    HB3  LYS  24           3HB      LYS  24  -5.317   1.132 -10.213
  169    HG2  LYS  24           2HG      LYS  24  -6.644  -0.493  -7.980
  170    HG3  LYS  24           3HG      LYS  24  -6.850   1.221  -8.212
  171    HD2  LYS  24           2HD      LYS  24  -7.864   0.859 -10.418
  172    HD3  LYS  24           3HD      LYS  24  -7.630  -0.891 -10.252
  173    HE2  LYS  24           2HE      LYS  24  -9.195   0.719  -8.202
  174    HE3  LYS  24           3HE      LYS  24  -9.958   0.117  -9.674
  175    HZ1  LYS  24           3HZ      LYS  24  -9.459  -2.114  -9.051
  176    HZ2  LYS  24           1HZ      LYS  24  -8.549  -1.683  -7.760
  177    HZ3  LYS  24           2HZ      LYS  24 -10.172  -1.419  -7.760
  178    H    GLY  25           H        GLY  25  -2.540  -1.791  -9.073
  179    HA2  GLY  25           2HA      GLY  25  -0.677  -0.372 -10.819
  180    HA3  GLY  25           3HA      GLY  25  -0.285  -1.544  -9.561
  181    H    CYS  26           HN       CYS  26  -2.029  -3.637 -10.843
  182    HA   CYS  26           HA       CYS  26  -0.692  -4.023 -13.458
  183    HB2  CYS  26           2HB      CYS  26  -0.021  -6.268 -13.050
  184    HB3  CYS  26           3HB      CYS  26   0.691  -5.233 -11.810
  185    H    MET  27           H        MET  27  -3.588  -4.100 -11.818
  186    HA   MET  27           HA       MET  27  -5.653  -4.653 -12.267
  187    HB2  MET  27           2HB      MET  27  -5.087  -3.414 -14.367
  188    HB3  MET  27           3HB      MET  27  -4.933  -4.965 -15.185
  189    HG2  MET  27           2HG      MET  27  -7.130  -3.808 -15.457
  190    HG3  MET  27           3HG      MET  27  -7.249  -5.461 -14.868
  191    HE1  MET  27           3HE      MET  27  -7.109  -1.714 -13.770
  192    HE2  MET  27           1HE      MET  27  -7.889  -1.746 -12.177
  193    HE3  MET  27           2HE      MET  27  -6.275  -2.462 -12.384
  194    H    GLU  28           H        GLU  28  -4.692  -6.510 -10.925
  195    HA   GLU  28           HA       GLU  28  -6.475  -8.605 -11.789
  196    HB2  GLU  28           2HB      GLU  28  -5.202 -10.506 -11.598
  197    HB3  GLU  28           3HB      GLU  28  -4.236  -9.438 -12.614
  198    HG2  GLU  28           2HG      GLU  28  -2.781  -8.935 -10.669
  199    HG3  GLU  28           3HG      GLU  28  -3.775  -9.973  -9.649
  200    H    LYS  29           H        LYS  29  -6.925 -10.182  -9.939
  201    HA   LYS  29           HA       LYS  29  -7.746  -8.350  -7.857
  202    HB2  LYS  29           2HB      LYS  29  -8.370 -11.291  -8.014
  203    HB3  LYS  29           3HB      LYS  29  -9.153 -10.040  -7.021
  204    HG2  LYS  29           2HG      LYS  29  -9.850  -8.854  -9.110
  205    HG3  LYS  29           3HG      LYS  29  -9.232 -10.207 -10.062
  206    HD2  LYS  29           2HD      LYS  29 -11.443 -10.368  -7.966
  207    HD3  LYS  29           3HD      LYS  29 -11.676 -10.312  -9.719
  208    HE2  LYS  29           2HE      LYS  29 -10.363 -12.432  -9.947
  209    HE3  LYS  29           3HE      LYS  29 -10.218 -12.513  -8.186
  210    HZ1  LYS  29           3HZ      LYS  29 -12.652 -12.644  -8.061
  211    HZ2  LYS  29           1HZ      LYS  29 -12.781 -12.577  -9.690
  212    HZ3  LYS  29           2HZ      LYS  29 -12.071 -13.861  -8.981
  213    H    ILE  30           H        ILE  30  -7.218  -8.191  -5.810
  214    HA   ILE  30           HA       ILE  30  -4.649  -9.308  -4.950
  215    HB   ILE  30           HB       ILE  30  -6.576  -7.315  -3.736
  216   HG12  ILE  30          2HG1      ILE  30  -3.728  -6.806  -4.649
  217   HG13  ILE  30          3HG1      ILE  30  -5.057  -6.764  -5.798
  218   HG21  ILE  30          1HG2      ILE  30  -3.910  -8.299  -2.648
  219   HG22  ILE  30          2HG2      ILE  30  -4.735  -6.845  -2.081
  220   HG23  ILE  30          3HG2      ILE  30  -5.503  -8.411  -1.848
  221   HD11  ILE  30          3HD1      ILE  30  -6.169  -4.986  -4.526
  222   HD12  ILE  30          1HD1      ILE  30  -4.835  -4.981  -3.342
  223   HD13  ILE  30          2HD1      ILE  30  -4.535  -4.528  -5.025
  224    H    GLU  31           H        GLU  31  -4.304 -10.844  -3.423
  225    HA   GLU  31           HA       GLU  31  -6.441 -12.683  -2.825
  226    HB2  GLU  31           2HB      GLU  31  -3.686 -12.617  -1.560
  227    HB3  GLU  31           3HB      GLU  31  -4.814 -13.971  -1.620
  228    HG2  GLU  31           2HG      GLU  31  -4.577 -13.828  -4.184
  229    HG3  GLU  31           3HG      GLU  31  -3.226 -12.719  -3.873
  230    H    LYS  32           H        LYS  32  -7.686 -12.896  -1.089
  231    HA   LYS  32           HA       LYS  32  -7.877 -10.991   1.054
  232    HB2  LYS  32           2HB      LYS  32  -9.732 -12.420   0.242
  233    HB3  LYS  32           3HB      LYS  32  -8.917 -13.851   0.887
  234    HG2  LYS  32           2HG      LYS  32  -9.120 -12.898   3.191
  235    HG3  LYS  32           3HG      LYS  32  -9.939 -11.476   2.510
  236    HD2  LYS  32           2HD      LYS  32 -11.745 -12.942   1.660
  237    HD3  LYS  32           3HD      LYS  32 -10.900 -14.359   2.323
  238    HE2  LYS  32           2HE      LYS  32 -11.081 -13.415   4.605
  239    HE3  LYS  32           3HE      LYS  32 -11.897 -11.986   3.963
  240    HZ1  LYS  32           3HZ      LYS  32 -12.956 -14.758   3.801
  241    HZ2  LYS  32           1HZ      LYS  32 -13.488 -13.604   4.823
  242    HZ3  LYS  32           2HZ      LYS  32 -13.711 -13.429   3.218
  243    H    GLY  33           H        GLY  33  -7.292 -11.103   3.191
  244    HA2  GLY  33           2HA      GLY  33  -6.234 -11.769   5.126
  245    HA3  GLY  33           3HA      GLY  33  -5.970 -13.357   4.409
  246    H    GLN  34           H        GLN  34  -4.559 -10.960   2.464
  247    HA   GLN  34           HA       GLN  34  -2.000 -10.849   3.964
  248    HB2  GLN  34           2HB      GLN  34  -0.683 -11.184   1.963
  249    HB3  GLN  34           3HB      GLN  34  -1.692 -12.573   2.313
  250    HG2  GLN  34           2HG      GLN  34  -1.750 -12.329  -0.043
  251    HG3  GLN  34           3HG      GLN  34  -3.311 -11.774   0.529
  252   HE21  GLN  34          1HE2      GLN  34  -3.934  -9.630  -0.082
  253   HE22  GLN  34          2HE2      GLN  34  -2.736  -8.431  -0.600
  254    H    VAL  35           H        VAL  35  -0.561  -8.983   2.880
  255    HA   VAL  35           HA       VAL  35  -2.081  -6.653   3.541
  256    HB   VAL  35           HB       VAL  35   0.698  -6.859   2.342
  257   HG11  VAL  35          1HG1      VAL  35  -0.136  -4.576   2.015
  258   HG12  VAL  35          2HG1      VAL  35  -0.686  -4.503   3.707
  259   HG13  VAL  35          3HG1      VAL  35   1.045  -4.591   3.316
  260   HG21  VAL  35          3HG2      VAL  35  -0.228  -6.513   5.227
  261   HG22  VAL  35          1HG2      VAL  35   0.532  -7.968   4.536
  262   HG23  VAL  35          2HG2      VAL  35   1.452  -6.473   4.663
  263    H    ARG  36           H        ARG  36  -3.051  -5.100   2.435
  264    HA   ARG  36           HA       ARG  36  -2.558  -4.752  -0.478
  265    HB2  ARG  36           2HB      ARG  36  -4.836  -4.002  -0.824
  266    HB3  ARG  36           3HB      ARG  36  -4.793  -5.674  -0.273
  267    HG2  ARG  36           2HG      ARG  36  -5.533  -5.051   1.956
  268    HG3  ARG  36           3HG      ARG  36  -5.440  -3.337   1.557
  269    HD2  ARG  36           2HD      ARG  36  -7.174  -3.701  -0.230
  270    HD3  ARG  36           3HD      ARG  36  -7.340  -5.371   0.316
  271    HE   ARG  36           HE       ARG  36  -7.664  -3.625   2.567
  272   HH11  ARG  36          1HH2      ARG  36  -9.548  -4.499  -0.291
  273   HH12  ARG  36          2HH2      ARG  36 -10.952  -3.688   0.332
  274   HH21  ARG  36          1HH1      ARG  36  -9.523  -2.823   3.331
  275   HH22  ARG  36          2HH1      ARG  36 -10.965  -2.819   2.334
  276    H    LEU  37           H        LEU  37  -2.032  -2.709  -1.085
  277    HA   LEU  37           HA       LEU  37  -2.114  -0.563   0.988
  278    HB2  LEU  37           2HB      LEU  37  -0.285  -0.571  -1.425
  279    HB3  LEU  37           3HB      LEU  37  -0.307   0.510  -0.013
  280    HG   LEU  37           HG       LEU  37   1.597  -0.674   0.235
  281   HD11  LEU  37          1HD1      LEU  37   1.387  -1.850   2.295
  282   HD12  LEU  37          2HD1      LEU  37   0.214  -0.518   2.222
  283   HD13  LEU  37          3HD1      LEU  37  -0.336  -2.185   2.004
  284   HD21  LEU  37          3HD2      LEU  37   0.186  -3.361  -0.119
  285   HD22  LEU  37          1HD2      LEU  37   1.132  -2.542  -1.376
  286   HD23  LEU  37          2HD2      LEU  37   1.911  -3.057   0.133
  287    H    SER  38           H        SER  38  -2.697   1.607   0.220
  288    HA   SER  38           HA       SER  38  -3.632   1.784  -2.551
  289    HB2  SER  38           2HB      SER  38  -5.802   2.806  -1.967
  290    HB3  SER  38           3HB      SER  38  -5.683   1.132  -1.439
  291    HG   SER  38           HG       SER  38  -6.521   2.313   0.248
  292    H    LYS  39           H        LYS  39  -4.022   3.897  -3.342
  293    HA   LYS  39           HA       LYS  39  -2.847   6.132  -1.713
  294    HB2  LYS  39           2HB      LYS  39  -1.469   5.691  -3.664
  295    HB3  LYS  39           3HB      LYS  39  -2.879   5.802  -4.735
  296    HG2  LYS  39           2HG      LYS  39  -3.177   8.171  -4.169
  297    HG3  LYS  39           3HG      LYS  39  -1.861   8.082  -2.978
  298    HD2  LYS  39           2HD      LYS  39  -0.251   7.622  -4.754
  299    HD3  LYS  39           3HD      LYS  39  -1.549   7.629  -5.973
  300    HE2  LYS  39           2HE      LYS  39  -2.084  10.005  -5.212
  301    HE3  LYS  39           3HE      LYS  39  -0.605   9.945  -4.226
  302    HZ1  LYS  39           3HZ      LYS  39   0.698   9.731  -6.173
  303    HZ2  LYS  39           1HZ      LYS  39  -0.610   9.578  -7.171
  304    HZ3  LYS  39           2HZ      LYS  39  -0.293  10.996  -6.424
  305    H    LYS  40           H        LYS  40  -4.087   7.831  -1.272
  306    HA   LYS  40           HA       LYS  40  -6.879   7.930  -2.294
  307    HB2  LYS  40           2HB      LYS  40  -6.777   7.949   0.033
  308    HB3  LYS  40           3HB      LYS  40  -5.502   9.133   0.103
  309    HG2  LYS  40           3HG      LYS  40  -8.283   9.757  -1.047
  310    HG3  LYS  40           2HG      LYS  40  -7.941   9.822   0.676
  311    HD2  LYS  40           2HD      LYS  40  -6.898  11.641  -1.486
  312    HD3  LYS  40           3HD      LYS  40  -7.805  12.045  -0.030
  313    HE2  LYS  40           2HE      LYS  40  -5.806  11.437   1.359
  314    HE3  LYS  40           3HE      LYS  40  -4.932  11.046  -0.130
  315    HZ1  LYS  40           3HZ      LYS  40  -4.278  13.181   0.439
  316    HZ2  LYS  40           1HZ      LYS  40  -5.279  13.393  -0.810
  317    HZ3  LYS  40           2HZ      LYS  40  -5.813  13.732   0.711
  318    H    MET  41           H        MET  41  -7.134   9.008  -4.116
  319    HA   MET  41           HA       MET  41  -6.124  11.738  -4.426
  320    HB2  MET  41           2HB      MET  41  -4.970  11.340  -6.557
  321    HB3  MET  41           3HB      MET  41  -4.157  10.563  -5.202
  322    HG2  MET  41           2HG      MET  41  -5.133   8.386  -5.837
  323    HG3  MET  41           3HG      MET  41  -5.996   9.150  -7.176
  324    HE1  MET  41           3HE      MET  41  -3.347   6.902  -8.908
  325    HE2  MET  41           1HE      MET  41  -4.098   6.588  -7.326
  326    HE3  MET  41           2HE      MET  41  -5.077   7.259  -8.658
  327    H    VAL  42           H        VAL  42  -7.374  12.970  -5.926
  328    HA   VAL  42           HA       VAL  42  -9.732  11.998  -7.067
  329    HB   VAL  42           HB       VAL  42  -7.899  14.158  -8.197
  330   HG11  VAL  42          1HG1      VAL  42 -10.861  13.616  -8.679
  331   HG12  VAL  42          2HG1      VAL  42  -9.988  15.070  -9.212
  332   HG13  VAL  42          3HG1      VAL  42  -9.547  13.501  -9.880
  333   HG21  VAL  42          3HG2      VAL  42 -10.252  14.393  -6.277
  334   HG22  VAL  42          1HG2      VAL  42  -8.544  14.713  -5.900
  335   HG23  VAL  42          2HG2      VAL  42  -9.400  15.752  -7.035
  336    H    ASP  43           H        ASP  43 -10.200  10.684  -8.753
  337    HA   ASP  43           HA       ASP  43  -8.084   9.233 -10.053
  338    HB2  ASP  43           2HB      ASP  43 -10.304   8.289  -9.471
  339    HB3  ASP  43           3HB      ASP  43 -11.049   9.313 -10.695
  340    HA   PRO  44           HA       PRO  44  -7.438  12.253 -13.220
  341    HB2  PRO  44           2HB      PRO  44  -5.642  10.937 -14.844
  342    HB3  PRO  44           3HB      PRO  44  -5.238  11.526 -13.203
  343    HG2  PRO  44           2HG      PRO  44  -6.133   8.728 -13.998
  344    HG3  PRO  44           3HG      PRO  44  -4.708   9.192 -13.004
  345    HD2  PRO  44           2HD      PRO  44  -7.025   8.426 -11.868
  346    HD3  PRO  44           3HD      PRO  44  -6.066   9.767 -11.168
  347    H    GLU  45           H        GLU  45  -8.996   9.231 -13.949
  348    HA   GLU  45           HA       GLU  45  -9.786  10.166 -16.687
  349    HB2  GLU  45           2HB      GLU  45 -10.034   7.433 -15.375
  350    HB3  GLU  45           3HB      GLU  45 -10.590   7.858 -16.996
  351    HG2  GLU  45           2HG      GLU  45  -8.255   8.430 -17.647
  352    HG3  GLU  45           3HG      GLU  45  -7.691   7.932 -16.049
  353    H    LYS  46           H        LYS  46 -10.839  10.144 -13.490
  354    HA   LYS  46           HA       LYS  46 -13.685  10.668 -14.186
  355    HB2  LYS  46           2HB      LYS  46 -12.733   8.688 -12.090
  356    HB3  LYS  46           3HB      LYS  46 -14.404   9.209 -12.318
  357    HG2  LYS  46           2HG      LYS  46 -14.520   8.175 -14.496
  358    HG3  LYS  46           3HG      LYS  46 -12.823   7.680 -14.421
  359    HD2  LYS  46           2HD      LYS  46 -14.945   6.893 -12.390
  360    HD3  LYS  46           3HD      LYS  46 -14.491   5.883 -13.774
  361    HE2  LYS  46           2HE      LYS  46 -12.771   6.638 -11.373
  362    HE3  LYS  46           3HE      LYS  46 -13.384   5.041 -11.801
  363    HZ1  LYS  46           3HZ      LYS  46 -11.259   6.585 -13.193
  364    HZ2  LYS  46           1HZ      LYS  46 -11.104   5.166 -12.436
  365    HZ3  LYS  46           2HZ      LYS  46 -11.938   5.220 -13.845
  366    HA   PRO  47           HA       PRO  47 -11.663  13.451 -10.933
  367    HB2  PRO  47           2HB      PRO  47 -12.056  15.894 -12.162
  368    HB3  PRO  47           3HB      PRO  47 -10.607  14.861 -12.382
  369    HG2  PRO  47           2HG      PRO  47 -13.067  15.006 -14.157
  370    HG3  PRO  47           3HG      PRO  47 -11.336  15.073 -14.642
  371    HD2  PRO  47           2HD      PRO  47 -12.728  12.774 -14.796
  372    HD3  PRO  47           3HD      PRO  47 -11.029  12.779 -14.228
  373    H    GLN  48           H        GLN  48 -14.721  13.344 -12.606
  374    HA   GLN  48           HA       GLN  48 -16.350  14.967 -10.965
  375    HB2  GLN  48           2HB      GLN  48 -18.194  13.620 -11.801
  376    HB3  GLN  48           3HB      GLN  48 -17.071  14.044 -13.096
  377    HG2  GLN  48           2HG      GLN  48 -16.098  11.734 -12.976
  378    HG3  GLN  48           3HG      GLN  48 -17.249  11.329 -11.701
  379   HE21  GLN  48          2HE2      GLN  48 -17.506   9.588 -13.601
  380   HE22  GLN  48          1HE2      GLN  48 -18.813   9.973 -14.709
  381    H    LEU  49           H        LEU  49 -14.993  11.735 -10.226
  382    HA   LEU  49           HA       LEU  49 -16.691  11.115  -7.994
  383    HB2  LEU  49           2HB      LEU  49 -13.761  10.535  -8.622
  384    HB3  LEU  49           3HB      LEU  49 -14.640   9.768  -7.310
  385    HG   LEU  49           HG       LEU  49 -15.394   9.482 -10.248
  386   HD11  LEU  49          1HD1      LEU  49 -13.836   7.724  -8.318
  387   HD12  LEU  49          2HD1      LEU  49 -14.370   7.226  -9.941
  388   HD13  LEU  49          3HD1      LEU  49 -13.191   8.552  -9.735
  389   HD21  LEU  49          3HD2      LEU  49 -16.723   7.559  -9.358
  390   HD22  LEU  49          1HD2      LEU  49 -16.324   8.089  -7.702
  391   HD23  LEU  49          2HD2      LEU  49 -17.302   9.125  -8.769
  392    H    GLY  50           H        GLY  50 -13.987  13.371  -8.248
  393    HA2  GLY  50           2HA      GLY  50 -12.629  14.372  -6.645
  394    HA3  GLY  50           3HA      GLY  50 -13.726  13.844  -5.364
  395    H    MET  51           H        MET  51 -12.073  13.011  -4.120
  396    HA   MET  51           HA       MET  51  -9.954  11.394  -5.025
  397    HB2  MET  51           2HB      MET  51 -10.661  11.706  -2.114
  398    HB3  MET  51           3HB      MET  51  -9.084  11.568  -2.889
  399    HG2  MET  51           2HG      MET  51  -9.781  13.895  -3.990
  400    HG3  MET  51           3HG      MET  51 -10.928  13.950  -2.656
  401    HE1  MET  51           3HE      MET  51  -7.297  13.058  -3.467
  402    HE2  MET  51           1HE      MET  51  -7.459  14.768  -3.909
  403    HE3  MET  51           2HE      MET  51  -6.365  14.306  -2.590
  404    H    ILE  52           H        ILE  52  -9.640   9.253  -5.026
  405    HA   ILE  52           HA       ILE  52 -11.459   7.505  -3.478
  406    HB   ILE  52           HB       ILE  52 -11.379   5.866  -5.426
  407   HG12  ILE  52          2HG1      ILE  52 -11.302   6.784  -7.694
  408   HG13  ILE  52          3HG1      ILE  52 -10.754   8.349  -7.097
  409   HG21  ILE  52          1HG2      ILE  52 -13.341   7.200  -4.679
  410   HG22  ILE  52          2HG2      ILE  52 -12.922   8.423  -5.913
  411   HG23  ILE  52          3HG2      ILE  52 -13.349   6.752  -6.387
  412   HD11  ILE  52          3HD1      ILE  52  -9.215   5.770  -6.645
  413   HD12  ILE  52          1HD1      ILE  52  -8.980   6.808  -8.076
  414   HD13  ILE  52          2HD1      ILE  52  -8.611   7.433  -6.470
  415    H    ASP  53           H        ASP  53 -10.658   5.271  -3.314
  416    HA   ASP  53           HA       ASP  53  -7.806   5.325  -2.506
  417    HB2  ASP  53           2HB      ASP  53 -10.091   3.483  -1.710
  418    HB3  ASP  53           3HB      ASP  53  -8.425   3.346  -1.150
  419    H    ARG  54           H        ARG  54  -6.804   4.937  -4.407
  420    HA   ARG  54           HA       ARG  54  -7.432   2.752  -6.271
  421    HB2  ARG  54           2HB      ARG  54  -5.983   5.166  -6.350
  422    HB3  ARG  54           3HB      ARG  54  -4.709   3.975  -6.316
  423    HG2  ARG  54           2HG      ARG  54  -5.228   4.714  -8.552
  424    HG3  ARG  54           3HG      ARG  54  -5.487   2.985  -8.385
  425    HD2  ARG  54           2HD      ARG  54  -7.831   3.200  -8.607
  426    HD3  ARG  54           3HD      ARG  54  -7.821   4.798  -7.899
  427    HE   ARG  54           HE       ARG  54  -8.154   5.496 -10.042
  428   HH11  ARG  54          1HH2      ARG  54  -5.527   3.172 -10.418
  429   HH12  ARG  54          2HH2      ARG  54  -5.453   3.492 -12.129
  430   HH21  ARG  54          1HH1      ARG  54  -7.992   5.814 -12.040
  431   HH22  ARG  54          2HH1      ARG  54  -6.819   4.978 -13.056
  432    H    TRP  55           H        TRP  55  -7.138   0.636  -5.522
  433    HA   TRP  55           HA       TRP  55  -5.151   0.054  -3.460
  434    HB2  TRP  55           2HB      TRP  55  -7.100  -1.755  -4.892
  435    HB3  TRP  55           3HB      TRP  55  -6.002  -2.279  -3.629
  436    HD1  TRP  55           HD1      TRP  55  -9.339  -0.758  -4.136
  437    HE1  TRP  55           HE1      TRP  55 -10.455  -0.179  -1.909
  438    HE3  TRP  55           HE3      TRP  55  -5.357  -1.523  -0.972
  439    HZ2  TRP  55           HZ2      TRP  55  -9.708   0.053   0.862
  440    HZ3  TRP  55           HZ3      TRP  55  -5.576  -1.017   1.441
  441    HH2  TRP  55           HH2      TRP  55  -7.742  -0.249   2.376
  442    H    TYR  56           H        TYR  56  -3.523  -1.513  -3.543
  443    HA   TYR  56           HA       TYR  56  -2.377  -2.419  -6.116
  444    HB2  TYR  56           2HB      TYR  56  -0.944  -0.768  -3.985
  445    HB3  TYR  56           3HB      TYR  56  -0.188  -1.486  -5.403
  446    HD1  TYR  56           HD1      TYR  56  -0.952  -0.755  -7.693
  447    HD2  TYR  56           HD2      TYR  56  -1.953   1.416  -4.129
  448    HE1  TYR  56           HE1      TYR  56  -1.580   1.235  -9.091
  449    HE2  TYR  56           HE2      TYR  56  -2.611   3.386  -5.514
  450    HH   TYR  56           HH       TYR  56  -2.387   3.365  -9.087
  451    H    HIS  57           H        HIS  57  -0.906  -4.099  -5.918
  452    HA   HIS  57           HA       HIS  57  -0.963  -5.877  -3.600
  453    HB2  HIS  57           2HB      HIS  57   0.782  -5.869  -6.070
  454    HB3  HIS  57           3HB      HIS  57   0.951  -7.052  -4.805
  455    HD2  HIS  57           HD2      HIS  57  -1.406  -8.505  -4.196
  456    HE1  HIS  57           HE1      HIS  57  -2.738  -8.465  -8.228
  457    HE2  HIS  57           HE2      HIS  57  -2.961  -9.631  -6.010
  458    HA   PRO  58           HA       PRO  58   2.749  -4.374  -1.423
  459    HB2  PRO  58           2HB      PRO  58   3.466  -7.296  -1.242
  460    HB3  PRO  58           3HB      PRO  58   3.479  -6.045   0.044
  461    HG2  PRO  58           2HG      PRO  58   1.432  -7.796  -0.070
  462    HG3  PRO  58           3HG      PRO  58   1.083  -6.045   0.160
  463    HD2  PRO  58           2HD      PRO  58   1.011  -7.638  -2.425
  464    HD3  PRO  58           3HD      PRO  58  -0.229  -6.544  -1.743
  465    H    GLY  59           H        GLY  59   3.092  -6.517  -4.213
  466    HA2  GLY  59           2HA      GLY  59   5.932  -5.803  -4.648
  467    HA3  GLY  59           3HA      GLY  59   4.882  -6.718  -5.730
  468    H    CYS  60           HN       CYS  60   2.763  -5.043  -6.194
  469    HA   CYS  60           HA       CYS  60   3.861  -3.415  -8.186
  470    HB2  CYS  60           2HB      CYS  60   1.009  -3.482  -7.140
  471    HB3  CYS  60           3HB      CYS  60   1.530  -2.945  -8.745
  472    H    PHE  61           H        PHE  61   2.424  -2.450  -5.023
  473    HA   PHE  61           HA       PHE  61   2.329   0.327  -5.646
  474    HB2  PHE  61           2HB      PHE  61   1.629   0.643  -3.560
  475    HB3  PHE  61           3HB      PHE  61   1.448  -1.100  -3.556
  476    HD1  PHE  61           HD1      PHE  61   3.391  -2.504  -2.648
  477    HD2  PHE  61           HD2      PHE  61   3.108   1.740  -2.088
  478    HE1  PHE  61           HE1      PHE  61   4.939  -2.673  -0.689
  479    HE2  PHE  61           HE2      PHE  61   4.650   1.591  -0.120
  480    HZ   PHE  61           HZ       PHE  61   5.547  -0.622   0.583
  481    H    VAL  62           H        VAL  62   5.052  -1.667  -4.560
  482    HA   VAL  62           HA       VAL  62   7.014   0.433  -4.351
  483    HB   VAL  62           HB       VAL  62   7.578  -2.415  -5.216
  484   HG11  VAL  62          1HG1      VAL  62   9.494  -0.873  -5.381
  485   HG12  VAL  62          2HG1      VAL  62   9.249  -0.375  -3.690
  486   HG13  VAL  62          3HG1      VAL  62   9.728  -2.038  -4.076
  487   HG21  VAL  62          3HG2      VAL  62   7.259  -1.358  -2.380
  488   HG22  VAL  62          1HG2      VAL  62   6.222  -2.551  -3.185
  489   HG23  VAL  62          2HG2      VAL  62   7.893  -2.952  -2.851
  490    H    LYS  63           H        LYS  63   6.008  -1.633  -7.095
  491    HA   LYS  63           HA       LYS  63   7.895  -0.702  -8.995
  492    HB2  LYS  63           2HB      LYS  63   6.557  -2.737  -9.288
  493    HB3  LYS  63           3HB      LYS  63   5.069  -1.794  -9.334
  494    HG2  LYS  63           2HG      LYS  63   5.767  -0.733 -11.458
  495    HG3  LYS  63           3HG      LYS  63   7.271  -1.660 -11.412
  496    HD2  LYS  63           2HD      LYS  63   5.673  -2.713 -12.925
  497    HD3  LYS  63           3HD      LYS  63   6.010  -3.763 -11.557
  498    HE2  LYS  63           2HE      LYS  63   3.663  -3.870 -12.112
  499    HE3  LYS  63           3HE      LYS  63   3.844  -3.158 -10.513
  500    HZ1  LYS  63           3HZ      LYS  63   3.314  -1.010 -11.401
  501    HZ2  LYS  63           1HZ      LYS  63   3.482  -1.514 -12.962
  502    HZ3  LYS  63           2HZ      LYS  63   2.226  -2.024 -12.057
  503    H    ASN  64           H        ASN  64   4.757   0.686  -8.072
  504    HA   ASN  64           HA       ASN  64   5.282   3.020  -9.844
  505    HB2  ASN  64           2HB      ASN  64   2.660   3.311  -9.007
  506    HB3  ASN  64           3HB      ASN  64   3.257   2.834 -10.571
  507   HD21  ASN  64          1HD2      ASN  64   1.720   1.668  -7.606
  508   HD22  ASN  64          2HD2      ASN  64   1.293   0.127  -8.337
  509    H    ARG  65           H        ARG  65   6.262   2.416  -6.828
  510    HA   ARG  65           HA       ARG  65   5.091   4.247  -5.136
  511    HB2  ARG  65           2HB      ARG  65   7.046   4.070  -3.772
  512    HB3  ARG  65           3HB      ARG  65   6.927   2.554  -4.642
  513    HG2  ARG  65           2HG      ARG  65   8.463   3.739  -6.396
  514    HG3  ARG  65           3HG      ARG  65   8.834   4.867  -5.099
  515    HD2  ARG  65           2HD      ARG  65   9.809   3.083  -3.769
  516    HD3  ARG  65           3HD      ARG  65   9.289   1.855  -4.931
  517    HE   ARG  65           HE       ARG  65  11.623   3.552  -5.123
  518   HH11  ARG  65          1HH2      ARG  65   9.372   1.810  -7.220
  519   HH12  ARG  65          2HH2      ARG  65  10.246   2.326  -8.654
  520   HH21  ARG  65          1HH1      ARG  65  12.624   4.123  -7.048
  521   HH22  ARG  65          2HH1      ARG  65  11.805   3.741  -8.545
  522    H    GLU  66           H        GLU  66   7.423   4.965  -7.624
  523    HA   GLU  66           HA       GLU  66   7.846   7.736  -6.916
  524    HB2  GLU  66           2HB      GLU  66   9.252   7.754  -8.929
  525    HB3  GLU  66           3HB      GLU  66   9.613   6.413  -7.837
  526    HG2  GLU  66           2HG      GLU  66   8.280   4.880  -9.323
  527    HG3  GLU  66           3HG      GLU  66   8.059   6.220 -10.450
  528    H    GLU  67           H        GLU  67   5.488   6.085  -8.837
  529    HA   GLU  67           HA       GLU  67   4.395   8.544 -10.049
  530    HB2  GLU  67           2HB      GLU  67   4.392   6.318 -11.245
  531    HB3  GLU  67           3HB      GLU  67   3.275   5.723 -10.019
  532    HG2  GLU  67           2HG      GLU  67   1.983   6.325 -11.912
  533    HG3  GLU  67           3HG      GLU  67   1.649   7.521 -10.672
  534    H    LEU  68           H        LEU  68   3.687   6.188  -7.422
  535    HA   LEU  68           HA       LEU  68   1.318   7.484  -6.469
  536    HB2  LEU  68           2HB      LEU  68   3.289   5.714  -4.982
  537    HB3  LEU  68           3HB      LEU  68   1.691   6.156  -4.407
  538    HG   LEU  68           HG       LEU  68   2.315   4.432  -6.835
  539   HD11  LEU  68          1HD1      LEU  68   2.622   3.295  -4.687
  540   HD12  LEU  68          2HD1      LEU  68   0.990   3.789  -4.179
  541   HD13  LEU  68          3HD1      LEU  68   1.197   2.666  -5.535
  542   HD21  LEU  68          3HD2      LEU  68  -0.046   4.035  -7.065
  543   HD22  LEU  68          1HD2      LEU  68  -0.416   5.187  -5.768
  544   HD23  LEU  68          2HD2      LEU  68   0.289   5.739  -7.311
  545    H    GLY  69           H        GLY  69   4.704   8.156  -5.840
  546    HA2  GLY  69           2HA      GLY  69   5.240  10.519  -5.567
  547    HA3  GLY  69           3HA      GLY  69   3.888  10.694  -4.451
  548    H    PHE  70           H        PHE  70   5.852   7.840  -4.013
  549    HA   PHE  70           HA       PHE  70   6.575   8.560  -1.331
  550    HB2  PHE  70           2HB      PHE  70   7.327   6.305  -3.206
  551    HB3  PHE  70           3HB      PHE  70   8.111   6.481  -1.655
  552    HD1  PHE  70           HD1      PHE  70   6.947   6.195   0.455
  553    HD2  PHE  70           HD2      PHE  70   4.910   5.613  -3.290
  554    HE1  PHE  70           HE1      PHE  70   5.201   4.868   1.612
  555    HE2  PHE  70           HE2      PHE  70   3.167   4.276  -2.139
  556    HZ   PHE  70           HZ       PHE  70   3.338   3.868   0.306
  557    H    ARG  71           H        ARG  71   8.331   9.315  -0.436
  558    HA   ARG  71           HA       ARG  71  10.964   9.378  -1.775
  559    HB2  ARG  71           2HB      ARG  71   9.670  11.701  -0.278
  560    HB3  ARG  71           3HB      ARG  71  11.390  11.609  -0.623
  561    HG2  ARG  71           2HG      ARG  71  11.054  11.764  -2.993
  562    HG3  ARG  71           3HG      ARG  71   9.305  11.540  -2.837
  563    HD2  ARG  71           2HD      ARG  71   9.828  13.905  -3.224
  564    HD3  ARG  71           3HD      ARG  71   9.037  13.618  -1.676
  565    HE   ARG  71           HE       ARG  71  10.912  14.347  -0.520
  566   HH11  ARG  71          1HH2      ARG  71  11.954  14.026  -3.869
  567   HH12  ARG  71          2HH2      ARG  71  13.470  14.814  -3.519
  568   HH21  ARG  71          1HH1      ARG  71  12.693  15.247  -0.167
  569   HH22  ARG  71          2HH1      ARG  71  13.911  15.523  -1.420
  570    HA   PRO  72           HA       PRO  72  12.321   7.535   1.989
  571    HB2  PRO  72           2HB      PRO  72  14.523   9.602   2.127
  572    HB3  PRO  72           3HB      PRO  72  14.636   7.822   2.305
  573    HG2  PRO  72           2HG      PRO  72  15.326   8.975  -0.035
  574    HG3  PRO  72           3HG      PRO  72  14.303   7.499  -0.050
  575    HD2  PRO  72           2HD      PRO  72  13.429  10.393  -0.328
  576    HD3  PRO  72           3HD      PRO  72  12.950   8.968  -1.295
  577    H    GLU  73           H        GLU  73  11.947  11.064   2.169
  578    HA   GLU  73           HA       GLU  73  11.912  11.223   5.050
  579    HB2  GLU  73           2HB      GLU  73  11.148  13.487   4.721
  580    HB3  GLU  73           3HB      GLU  73  12.426  13.118   3.564
  581    HG2  GLU  73           2HG      GLU  73  10.599  12.661   1.836
  582    HG3  GLU  73           3HG      GLU  73   9.433  13.284   3.004
  583    H    TYR  74           H        TYR  74   9.584   9.966   2.879
  584    HA   TYR  74           HA       TYR  74   7.787   9.428   5.083
  585    HB2  TYR  74           2HB      TYR  74   5.739  10.203   3.813
  586    HB3  TYR  74           3HB      TYR  74   6.730  11.373   4.640
  587    HD1  TYR  74           HD1      TYR  74   7.276  10.024   1.149
  588    HD2  TYR  74           HD2      TYR  74   6.210  13.372   3.650
  589    HE1  TYR  74           HE1      TYR  74   7.221  11.501  -0.845
  590    HE2  TYR  74           HE2      TYR  74   6.139  14.842   1.643
  591    HH   TYR  74           HH       TYR  74   6.688  13.576  -1.660
  592    H    SER  75           H        SER  75   9.257   7.584   4.241
  593    HA   SER  75           HA       SER  75   8.324   5.886   2.135
  594    HB2  SER  75           2HB      SER  75  10.055   5.572   4.592
  595    HB3  SER  75           3HB      SER  75   9.618   4.168   3.614
  596    HG   SER  75           HG       SER  75  10.995   4.752   2.209
  597    H    ALA  76           H        ALA  76   7.798   3.504   2.895
  598    HA   ALA  76           HA       ALA  76   5.111   3.286   3.311
  599    HB1  ALA  76           1HB      ALA  76   6.626   1.545   2.414
  600    HB2  ALA  76           2HB      ALA  76   7.260   1.256   4.056
  601    HB3  ALA  76           3HB      ALA  76   5.558   0.910   3.677
  602    H    SER  77           H        SER  77   7.345   3.715   6.019
  603    HA   SER  77           HA       SER  77   5.693   2.754   8.116
  604    HB2  SER  77           2HB      SER  77   7.536   5.173   8.160
  605    HB3  SER  77           3HB      SER  77   7.028   4.199   9.552
  606    HG   SER  77           HG       SER  77   9.151   3.725   8.752
  607    H    GLN  78           H        GLN  78   5.375   5.550   6.054
  608    HA   GLN  78           HA       GLN  78   3.387   6.794   7.793
  609    HB2  GLN  78           2HB      GLN  78   4.760   7.940   5.346
  610    HB3  GLN  78           3HB      GLN  78   3.716   8.783   6.494
  611    HG2  GLN  78           2HG      GLN  78   5.418   8.048   8.323
  612    HG3  GLN  78           3HG      GLN  78   6.489   7.640   6.988
  613   HE21  GLN  78          2HE2      GLN  78   7.915   9.206   8.087
  614   HE22  GLN  78          1HE2      GLN  78   7.746  10.896   7.585
  615    H    LEU  79           H        LEU  79   2.852   4.338   6.179
  616    HA   LEU  79           HA       LEU  79   0.515   5.237   4.574
  617    HB2  LEU  79           2HB      LEU  79   1.660   2.517   5.332
  618    HB3  LEU  79           3HB      LEU  79   0.133   2.706   4.495
  619    HG   LEU  79           HG       LEU  79   2.625   3.873   3.242
  620   HD11  LEU  79          1HD1      LEU  79   3.159   1.834   2.097
  621   HD12  LEU  79          2HD1      LEU  79   3.208   1.494   3.835
  622   HD13  LEU  79          3HD1      LEU  79   1.830   0.964   2.873
  623   HD21  LEU  79          3HD2      LEU  79   1.419   3.490   1.206
  624   HD22  LEU  79          1HD2      LEU  79   0.248   2.445   2.016
  625   HD23  LEU  79          2HD2      LEU  79   0.280   4.176   2.366
  626    H    LYS  80           H        LYS  80  -1.540   5.280   5.368
  627    HA   LYS  80           HA       LYS  80  -2.141   5.273   8.130
  628    HB2  LYS  80           2HB      LYS  80  -4.096   4.572   5.891
  629    HB3  LYS  80           3HB      LYS  80  -4.516   5.051   7.534
  630    HG2  LYS  80           2HG      LYS  80  -3.333   7.225   7.134
  631    HG3  LYS  80           3HG      LYS  80  -3.158   6.761   5.429
  632    HD2  LYS  80           2HD      LYS  80  -5.778   7.130   6.961
  633    HD3  LYS  80           3HD      LYS  80  -5.062   8.307   5.854
  634    HE2  LYS  80           2HE      LYS  80  -5.273   6.691   3.983
  635    HE3  LYS  80           3HE      LYS  80  -6.004   5.510   5.083
  636    HZ1  LYS  80           3HZ      LYS  80  -7.166   8.172   4.445
  637    HZ2  LYS  80           1HZ      LYS  80  -7.697   6.744   3.855
  638    HZ3  LYS  80           2HZ      LYS  80  -7.834   7.068   5.448
  639    H    GLY  81           H        GLY  81  -2.490   3.728   9.618
  640    HA2  GLY  81           2HA      GLY  81  -2.997   1.687  10.586
  641    HA3  GLY  81           3HA      GLY  81  -3.600   1.123   9.028
  642    H    PHE  82           H        PHE  82  -0.340   2.115   8.612
  643    HA   PHE  82           HA       PHE  82   0.691  -0.480   8.101
  644    HB2  PHE  82           2HB      PHE  82   1.788   1.375   7.154
  645    HB3  PHE  82           3HB      PHE  82   1.866   2.251   8.674
  646    HD1  PHE  82           HD2      PHE  82   3.524   1.756  10.386
  647    HD2  PHE  82           HD1      PHE  82   3.604  -0.167   6.527
  648    HE1  PHE  82           HE2      PHE  82   5.866   1.026  10.800
  649    HE2  PHE  82           HE1      PHE  82   5.963  -0.822   6.918
  650    HZ   PHE  82           HZ       PHE  82   7.077  -0.272   9.057
  651    H    SER  83           H        SER  83   0.845   1.560  11.021
  652    HA   SER  83           HA       SER  83   2.635   0.003  12.543
  653    HB2  SER  83           2HB      SER  83   1.741   1.346  14.441
  654    HB3  SER  83           3HB      SER  83   2.109   2.329  13.005
  655    HG   SER  83           HG       SER  83   0.058   2.845  13.929
  656    H    LEU  84           H        LEU  84  -0.723  -0.544  11.899
  657    HA   LEU  84           HA       LEU  84  -1.179  -2.342  14.190
  658    HB2  LEU  84           2HB      LEU  84  -3.002  -1.517  11.898
  659    HB3  LEU  84           3HB      LEU  84  -3.485  -2.379  13.354
  660    HG   LEU  84           HG       LEU  84  -2.475   0.498  13.235
  661   HD11  LEU  84          1HD1      LEU  84  -4.742   0.170  12.326
  662   HD12  LEU  84          2HD1      LEU  84  -5.232  -0.647  13.828
  663   HD13  LEU  84          3HD1      LEU  84  -4.773   1.072  13.850
  664   HD21  LEU  84          3HD2      LEU  84  -1.827  -0.501  15.383
  665   HD22  LEU  84          1HD2      LEU  84  -3.175   0.614  15.617
  666   HD23  LEU  84          2HD2      LEU  84  -3.474  -1.139  15.609
  667    H    LEU  85           H        LEU  85   0.151  -2.737  11.100
  668    HA   LEU  85           HA       LEU  85  -0.833  -5.463  10.589
  669    HB2  LEU  85           2HB      LEU  85   1.522  -3.916   9.460
  670    HB3  LEU  85           3HB      LEU  85   0.973  -5.477   8.873
  671    HG   LEU  85           HG       LEU  85  -0.741  -2.956   8.793
  672   HD11  LEU  85          1HD1      LEU  85   1.291  -2.737   7.380
  673   HD12  LEU  85          2HD1      LEU  85   0.904  -4.281   6.592
  674   HD13  LEU  85          3HD1      LEU  85  -0.179  -2.885   6.400
  675   HD21  LEU  85          3HD2      LEU  85  -2.089  -4.974   8.711
  676   HD22  LEU  85          1HD2      LEU  85  -2.055  -4.179   7.134
  677   HD23  LEU  85          2HD2      LEU  85  -1.068  -5.625   7.405
  678    H    ALA  86           H        ALA  86   0.886  -7.258  10.426
  679    HA   ALA  86           HA       ALA  86   2.185  -7.670  12.973
  680    HB1  ALA  86           1HB      ALA  86   2.493  -9.165  10.334
  681    HB2  ALA  86           2HB      ALA  86   2.967  -9.752  11.942
  682    HB3  ALA  86           3HB      ALA  86   1.251  -9.498  11.561
  683    H    THR  87           H        THR  87   4.406  -7.702  13.467
  684    HA   THR  87           HA       THR  87   6.035  -5.668  12.491
  685    HB   THR  87           HB       THR  87   7.067  -8.245  13.696
  686    HG1  THR  87           1HG      THR  87   6.570  -7.310  15.681
  687   HG21  THR  87          1HG2      THR  87   8.824  -6.598  13.071
  688   HG22  THR  87          2HG2      THR  87   7.974  -5.338  13.993
  689   HG23  THR  87          3HG2      THR  87   8.688  -6.739  14.825
  690    H    GLU  88           H        GLU  88   5.996  -9.090  11.434
  691    HA   GLU  88           HA       GLU  88   8.275  -8.910   9.714
  692    HB2  GLU  88           2HB      GLU  88   7.528 -11.006   8.780
  693    HB3  GLU  88           3HB      GLU  88   7.399 -11.024  10.537
  694    HG2  GLU  88           2HG      GLU  88   4.929 -10.573  10.321
  695    HG3  GLU  88           3HG      GLU  88   5.095 -10.675   8.566
  696    H    ASP  89           H        ASP  89   4.890  -7.973   9.136
  697    HA   ASP  89           HA       ASP  89   5.370  -7.517   6.255
  698    HB2  ASP  89           2HB      ASP  89   3.021  -6.896   8.078
  699    HB3  ASP  89           3HB      ASP  89   3.096  -6.453   6.376
  700    H    LYS  90           H        LYS  90   5.095  -5.561   9.238
  701    HA   LYS  90           HA       LYS  90   5.411  -2.974   8.073
  702    HB2  LYS  90           2HB      LYS  90   6.171  -4.105  10.798
  703    HB3  LYS  90           3HB      LYS  90   6.328  -2.391  10.397
  704    HG2  LYS  90           2HG      LYS  90   4.003  -2.118  10.046
  705    HG3  LYS  90           3HG      LYS  90   3.701  -3.855  10.024
  706    HD2  LYS  90           2HD      LYS  90   2.889  -2.905  12.086
  707    HD3  LYS  90           3HD      LYS  90   4.199  -4.048  12.401
  708    HE2  LYS  90           2HE      LYS  90   5.776  -2.162  12.704
  709    HE3  LYS  90           3HE      LYS  90   4.485  -1.014  12.323
  710    HZ1  LYS  90           3HZ      LYS  90   4.465  -2.883  14.636
  711    HZ2  LYS  90           1HZ      LYS  90   4.819  -1.293  14.732
  712    HZ3  LYS  90           2HZ      LYS  90   3.294  -1.790  14.310
  713    H    GLU  91           H        GLU  91   7.915  -5.233   9.256
  714    HA   GLU  91           HA       GLU  91  10.140  -3.576   8.430
  715    HB2  GLU  91           2HB      GLU  91   9.912  -6.549   9.039
  716    HB3  GLU  91           3HB      GLU  91  11.439  -5.731   8.706
  717    HG2  GLU  91           2HG      GLU  91   9.561  -4.920  10.962
  718    HG3  GLU  91           3HG      GLU  91  10.887  -6.061  11.147
  719    H    ALA  92           H        ALA  92   8.341  -6.199   6.744
  720    HA   ALA  92           HA       ALA  92  10.101  -6.301   4.484
  721    HB1  ALA  92           1HB      ALA  92   8.224  -7.404   3.345
  722    HB2  ALA  92           2HB      ALA  92   8.500  -8.066   4.965
  723    HB3  ALA  92           3HB      ALA  92   7.140  -6.953   4.680
  724    H    LEU  93           H        LEU  93   7.157  -4.296   5.021
  725    HA   LEU  93           HA       LEU  93   7.163  -3.041   2.444
  726    HB2  LEU  93           2HB      LEU  93   6.100  -2.204   5.164
  727    HB3  LEU  93           3HB      LEU  93   5.774  -1.301   3.689
  728    HG   LEU  93           HG       LEU  93   4.975  -4.219   4.032
  729   HD11  LEU  93          1HD1      LEU  93   3.859  -2.804   5.718
  730   HD12  LEU  93          2HD1      LEU  93   3.325  -1.689   4.435
  731   HD13  LEU  93          3HD1      LEU  93   2.717  -3.361   4.488
  732   HD21  LEU  93          3HD2      LEU  93   4.071  -2.084   2.067
  733   HD22  LEU  93          1HD2      LEU  93   5.132  -3.463   1.694
  734   HD23  LEU  93          2HD2      LEU  93   3.454  -3.748   2.173
  735    H    LYS  94           H        LYS  94   8.783  -2.110   5.493
  736    HA   LYS  94           HA       LYS  94  10.069   0.268   4.507
  737    HB2  LYS  94           2HB      LYS  94  10.654  -1.679   6.778
  738    HB3  LYS  94           3HB      LYS  94  11.657  -0.263   6.443
  739    HG2  LYS  94           2HG      LYS  94   9.886   1.262   6.934
  740    HG3  LYS  94           3HG      LYS  94   8.664  -0.013   6.928
  741    HD2  LYS  94           2HD      LYS  94   9.201   0.683   9.222
  742    HD3  LYS  94           3HD      LYS  94   9.596  -1.018   8.939
  743    HE2  LYS  94           2HE      LYS  94  12.000  -0.323   8.569
  744    HE3  LYS  94           3HE      LYS  94  11.544   1.326   9.031
  745    HZ1  LYS  94           3HZ      LYS  94  10.832   0.391  11.197
  746    HZ2  LYS  94           1HZ      LYS  94  11.296  -1.114  10.723
  747    HZ3  LYS  94           2HZ      LYS  94  12.414   0.062  10.923
  748    H    LYS  95           H        LYS  95  11.100  -3.200   4.645
  749    HA   LYS  95           HA       LYS  95  13.705  -2.666   3.617
  750    HB2  LYS  95           2HB      LYS  95  12.018  -5.172   3.777
  751    HB3  LYS  95           3HB      LYS  95  13.559  -5.191   2.913
  752    HG2  LYS  95           2HG      LYS  95  14.751  -4.340   4.884
  753    HG3  LYS  95           3HG      LYS  95  13.262  -4.312   5.819
  754    HD2  LYS  95           2HD      LYS  95  14.567  -6.795   4.618
  755    HD3  LYS  95           3HD      LYS  95  14.681  -6.277   6.307
  756    HE2  LYS  95           2HE      LYS  95  12.198  -6.475   6.518
  757    HE3  LYS  95           3HE      LYS  95  12.122  -7.079   4.857
  758    HZ1  LYS  95           3HZ      LYS  95  13.588  -8.406   7.077
  759    HZ2  LYS  95           1HZ      LYS  95  12.170  -8.914   6.450
  760    HZ3  LYS  95           2HZ      LYS  95  13.522  -8.955   5.540
  761    H    GLN  96           H        GLN  96  10.705  -2.942   1.878
  762    HA   GLN  96           HA       GLN  96  11.917  -3.173  -0.765
  763    HB2  GLN  96           2HB      GLN  96   9.127  -2.473   0.216
  764    HB3  GLN  96           3HB      GLN  96   9.583  -2.579  -1.486
  765    HG2  GLN  96           2HG      GLN  96  10.149  -4.926  -1.289
  766    HG3  GLN  96           3HG      GLN  96   9.916  -4.911   0.453
  767   HE21  GLN  96          2HE2      GLN  96   8.354  -5.595  -2.500
  768   HE22  GLN  96          1HE2      GLN  96   6.695  -5.373  -1.950
  769    H    LEU  97           H        LEU  97  10.863  -0.430   1.291
  770    HA   LEU  97           HA       LEU  97  12.520   1.338  -0.334
  771    HB2  LEU  97           2HB      LEU  97  10.792   3.062  -0.665
  772    HB3  LEU  97           3HB      LEU  97  10.599   1.646  -1.665
  773    HG   LEU  97           HG       LEU  97   9.008   1.574   0.879
  774   HD11  LEU  97          1HD1      LEU  97   7.277   3.082   0.008
  775   HD12  LEU  97          2HD1      LEU  97   8.789   3.960   0.299
  776   HD13  LEU  97          3HD1      LEU  97   8.321   3.524  -1.361
  777   HD21  LEU  97          3HD2      LEU  97   8.781  -0.132  -0.908
  778   HD22  LEU  97          1HD2      LEU  97   7.278   0.749  -0.619
  779   HD23  LEU  97          2HD2      LEU  97   8.261   1.138  -2.041
  780    HA   PRO  98           HA       PRO  98  12.350   2.056   4.157
  781    HB2  PRO  98           2HB      PRO  98  15.138   2.126   4.630
  782    HB3  PRO  98           3HB      PRO  98  14.039   0.735   4.805
  783    HG2  PRO  98           2HG      PRO  98  16.059   1.203   2.732
  784    HG3  PRO  98           3HG      PRO  98  15.113  -0.275   3.079
  785    HD2  PRO  98           2HD      PRO  98  14.715   1.670   0.962
  786    HD3  PRO  98           3HD      PRO  98  13.838   0.145   1.266
  787    H    GLY  99           H        GLY  99  12.383   4.008   5.321
  788    HA2  GLY  99           2HA      GLY  99  13.106   6.418   3.854
  789    HA3  GLY  99           3HA      GLY  99  12.152   6.288   5.324
  790    H    VAL 100           H        VAL 100  13.377   8.193   5.757
  791    HA   VAL 100           HA       VAL 100  16.197   8.080   6.492
  792    HB   VAL 100           HB       VAL 100  14.067  10.162   7.150
  793   HG11  VAL 100          1HG1      VAL 100  17.108  10.284   7.432
  794   HG12  VAL 100          2HG1      VAL 100  16.009  11.674   7.582
  795   HG13  VAL 100          3HG1      VAL 100  15.920  10.360   8.755
  796   HG21  VAL 100          3HG2      VAL 100  15.155  11.481   5.357
  797   HG22  VAL 100          1HG2      VAL 100  16.246  10.120   5.011
  798   HG23  VAL 100          2HG2      VAL 100  14.501   9.970   4.722
  799    H    LYS 101           H        LYS 101  17.161   7.756   8.268
  800    HA   LYS 101           HA       LYS 101  15.786   6.346  10.404
  801    HB2  LYS 101           2HB      LYS 101  17.985   5.717   9.190
  802    HB3  LYS 101           3HB      LYS 101  18.772   6.896  10.254
  803    HG2  LYS 101           2HG      LYS 101  17.674   5.692  12.203
  804    HG3  LYS 101           3HG      LYS 101  17.071   4.500  11.044
  805    HD2  LYS 101           2HD      LYS 101  20.015   5.108  11.598
  806    HD3  LYS 101           3HD      LYS 101  19.112   3.743  12.269
  807    HE2  LYS 101           2HE      LYS 101  18.684   2.894   9.964
  808    HE3  LYS 101           3HE      LYS 101  19.626   4.236   9.301
  809    HZ1  LYS 101           3HZ      LYS 101  21.567   3.386  10.505
  810    HZ2  LYS 101           1HZ      LYS 101  20.699   2.142  11.116
  811    HZ3  LYS 101           2HZ      LYS 101  20.978   2.235   9.511
  812    H    SER 102           H        SER 102  14.631   8.497  10.765
  813    HA   SER 102           HA       SER 102  15.882  10.585  12.291
  814    HB2  SER 102           2HB      SER 102  13.717  10.683  10.987
  815    HB3  SER 102           3HB      SER 102  12.944   9.817  12.328
  816    HG   SER 102           HG       SER 102  12.813  12.160  12.416
  817    H    GLU 103           H        GLU 103  14.728   7.437  13.248
  818    HA   GLU 103           HA       GLU 103  15.816   7.890  15.951
  819    HB2  GLU 103           2HB      GLU 103  13.435   8.405  16.178
  820    HB3  GLU 103           3HB      GLU 103  12.988   6.822  15.540
  821    HG2  GLU 103           2HG      GLU 103  14.047   5.720  17.463
  822    HG3  GLU 103           3HG      GLU 103  14.690   7.258  18.038
  823    H    GLY 104           H        GLY 104  17.498   6.483  15.682
  824    HA2  GLY 104           2HA      GLY 104  17.322   3.843  14.537
  825    HA3  GLY 104           3HA      GLY 104  18.610   4.467  15.573
  826    H    LYS 105           H        LYS 105  16.265   5.039  17.592
  827    HA   LYS 105           HA       LYS 105  16.501   2.546  19.114
  828    HB2  LYS 105           2HB      LYS 105  15.078   5.170  19.736
  829    HB3  LYS 105           3HB      LYS 105  15.270   3.814  20.852
  830    HG2  LYS 105           2HG      LYS 105  17.745   4.047  20.730
  831    HG3  LYS 105           3HG      LYS 105  17.565   5.399  19.614
  832    HD2  LYS 105           2HD      LYS 105  17.992   6.294  21.806
  833    HD3  LYS 105           3HD      LYS 105  16.353   6.699  21.317
  834    HE2  LYS 105           2HE      LYS 105  16.300   6.111  23.635
  835    HE3  LYS 105           3HE      LYS 105  15.476   4.835  22.743
  836    HZ1  LYS 105           3HZ      LYS 105  17.516   3.492  22.933
  837    HZ2  LYS 105           1HZ      LYS 105  18.282   4.697  23.731
  838    HZ3  LYS 105           2HZ      LYS 105  17.010   3.943  24.415
  839    H    ARG 106           H        ARG 106  14.397   3.450  16.666
  840    HA   ARG 106           HA       ARG 106  11.933   2.373  17.653
  841    HB2  ARG 106           2HB      ARG 106  12.379   3.862  15.551
  842    HB3  ARG 106           3HB      ARG 106  12.809   2.362  14.743
  843    HG2  ARG 106           2HG      ARG 106  10.609   2.309  14.186
  844    HG3  ARG 106           3HG      ARG 106  10.376   1.633  15.789
  845    HD2  ARG 106           2HD      ARG 106   9.975   4.499  14.869
  846    HD3  ARG 106           3HD      ARG 106   8.746   3.380  15.461
  847    HE   ARG 106           HE       ARG 106  10.566   5.060  17.048
  848   HH11  ARG 106          1HH2      ARG 106   8.495   2.145  17.409
  849   HH12  ARG 106          2HH2      ARG 106   8.745   2.279  19.159
  850   HH21  ARG 106          1HH1      ARG 106  10.628   5.063  19.105
  851   HH22  ARG 106          2HH1      ARG 106   9.813   3.781  20.064
  852    H    LYS 107           H        LYS 107  14.768   0.859  16.275
  853    HA   LYS 107           HA       LYS 107  13.791  -1.767  15.729
  854    HB2  LYS 107           2HB      LYS 107  15.944  -0.772  15.001
  855    HB3  LYS 107           3HB      LYS 107  16.562  -0.851  16.636
  856    HG2  LYS 107           2HG      LYS 107  15.664  -3.272  14.997
  857    HG3  LYS 107           3HG      LYS 107  17.300  -2.642  14.987
  858    HD2  LYS 107           2HD      LYS 107  15.902  -3.943  17.352
  859    HD3  LYS 107           3HD      LYS 107  17.217  -4.584  16.379
  860    HE2  LYS 107           2HE      LYS 107  18.683  -2.698  17.132
  861    HE3  LYS 107           3HE      LYS 107  17.377  -2.126  18.180
  862    HZ1  LYS 107           3HZ      LYS 107  17.487  -4.255  19.366
  863    HZ2  LYS 107           1HZ      LYS 107  18.694  -4.782  18.397
  864    HZ3  LYS 107           2HZ      LYS 107  18.943  -3.520  19.400
  865    H    GLY 108           H        GLY 108  12.969  -3.233  17.040
  866    HA2  GLY 108           2HA      GLY 108  12.792  -4.657  18.915
  867    HA3  GLY 108           3HA      GLY 108  13.858  -3.585  19.835
  868    H    ASP 109           H        ASP 109  12.307  -1.144  19.257
  869    HA   ASP 109           HA       ASP 109  10.464  -1.344  21.478
  870    HB2  ASP 109           2HB      ASP 109  12.008   0.547  20.948
  871    HB3  ASP 109           3HB      ASP 109  11.001   0.940  19.554
  872    H    GLU 110           H        GLU 110   9.985  -1.990  18.192
  873    HA   GLU 110           HA       GLU 110   7.107  -1.501  18.264
  874    HB2  GLU 110           2HB      GLU 110   8.833  -3.162  16.370
  875    HB3  GLU 110           3HB      GLU 110   7.118  -2.854  16.130
  876    HG2  GLU 110           2HG      GLU 110   9.323  -0.752  16.150
  877    HG3  GLU 110           3HG      GLU 110   8.507  -1.397  14.732
  878    H    VAL 111           H        VAL 111   9.091  -3.921  19.629
  879    HA   VAL 111           HA       VAL 111   6.784  -5.794  19.954
  880    HB   VAL 111           HB       VAL 111   8.320  -7.705  19.734
  881   HG11  VAL 111          1HG1      VAL 111   8.466  -7.708  17.328
  882   HG12  VAL 111          2HG1      VAL 111   6.949  -6.943  17.837
  883   HG13  VAL 111          3HG1      VAL 111   8.301  -5.941  17.263
  884   HG21  VAL 111          3HG2      VAL 111  10.365  -5.720  18.654
  885   HG22  VAL 111          1HG2      VAL 111  10.481  -6.545  20.226
  886   HG23  VAL 111          2HG2      VAL 111  10.515  -7.485  18.727
  887    H    ASP 112           H        ASP 112   8.426  -3.755  21.712
  888    HA   ASP 112           HA       ASP 112   8.856  -5.527  24.078
  889    HB2  ASP 112           2HB      ASP 112  10.820  -4.280  23.319
  890    HB3  ASP 112           3HB      ASP 112   9.946  -2.761  23.490
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -0.504   1.008  21.187
    2    H2   GLY   1           H2       GLY   1  -0.179   1.591  22.684
    3    H3   GLY   1           H3       GLY   1   1.022   0.936  21.783
    4    HA2  GLY   1           2HA      GLY   1   1.201   3.340  21.780
    5    HA3  GLY   1           3HA      GLY   1   0.881   2.695  20.160
    6    H    SER   2           H        SER   2   0.208   5.310  21.666
    7    HA   SER   2           HA       SER   2  -2.647   5.327  22.017
    8    HB2  SER   2           2HB      SER   2  -0.695   7.645  22.076
    9    HB3  SER   2           3HB      SER   2  -2.336   7.611  22.753
   10    HG   SER   2           HG       SER   2  -0.738   7.200  24.349
   11    H    LYS   3           H        LYS   3  -2.208   4.668  19.342
   12    HA   LYS   3           HA       LYS   3  -2.705   5.174  17.153
   13    HB2  LYS   3           2HB      LYS   3  -4.983   6.643  18.545
   14    HB3  LYS   3           3HB      LYS   3  -4.922   6.210  16.844
   15    HG2  LYS   3           2HG      LYS   3  -6.210   4.540  17.657
   16    HG3  LYS   3           3HG      LYS   3  -4.633   3.759  17.613
   17    HD2  LYS   3           2HD      LYS   3  -4.398   4.106  20.064
   18    HD3  LYS   3           3HD      LYS   3  -5.934   4.973  20.111
   19    HE2  LYS   3           2HE      LYS   3  -5.579   2.070  19.225
   20    HE3  LYS   3           3HE      LYS   3  -5.986   2.560  20.870
   21    HZ1  LYS   3           3HZ      LYS   3  -8.022   3.584  20.004
   22    HZ2  LYS   3           1HZ      LYS   3  -7.669   3.099  18.482
   23    HZ3  LYS   3           2HZ      LYS   3  -7.980   1.996  19.639
   24    H    ALA   4           H        ALA   4  -0.599   6.618  17.674
   25    HA   ALA   4           HA       ALA   4  -0.788   9.433  17.437
   26    HB1  ALA   4           1HB      ALA   4   1.513   7.571  16.713
   27    HB2  ALA   4           2HB      ALA   4   1.635   9.320  16.998
   28    HB3  ALA   4           3HB      ALA   4   1.172   8.241  18.327
   29    H    GLU   5           H        GLU   5  -0.341  10.871  15.758
   30    HA   GLU   5           HA       GLU   5  -1.517  10.104  13.195
   31    HB2  GLU   5           2HB      GLU   5  -0.641  12.802  14.284
   32    HB3  GLU   5           3HB      GLU   5  -1.510  12.535  12.763
   33    HG2  GLU   5           2HG      GLU   5  -3.389  11.497  14.018
   34    HG3  GLU   5           3HG      GLU   5  -2.559  11.837  15.538
   35    H    LYS   6           H        LYS   6   0.656   8.687  13.160
   36    HA   LYS   6           HA       LYS   6   3.060   9.924  12.157
   37    HB2  LYS   6           2HB      LYS   6   2.938   7.766  13.367
   38    HB3  LYS   6           3HB      LYS   6   2.096   7.030  11.995
   39    HG2  LYS   6           2HG      LYS   6   4.056   7.328  10.567
   40    HG3  LYS   6           3HG      LYS   6   4.881   8.262  11.836
   41    HD2  LYS   6           2HD      LYS   6   4.876   6.248  13.294
   42    HD3  LYS   6           3HD      LYS   6   4.085   5.320  11.997
   43    HE2  LYS   6           2HE      LYS   6   6.002   5.734  10.501
   44    HE3  LYS   6           3HE      LYS   6   6.774   6.745  11.729
   45    HZ1  LYS   6           3HZ      LYS   6   7.687   4.504  11.767
   46    HZ2  LYS   6           1HZ      LYS   6   6.911   4.787  13.172
   47    HZ3  LYS   6           2HZ      LYS   6   6.211   3.845  12.034
   48    H    THR   7           H        THR   7   0.226   8.653  10.476
   49    HA   THR   7           HA       THR   7   1.309   8.244   7.946
   50    HB   THR   7           HB       THR   7  -1.484   9.303   8.435
   51    HG1  THR   7           1HG      THR   7  -2.084   7.311   9.053
   52   HG21  THR   7          1HG2      THR   7  -2.190   8.062   6.579
   53   HG22  THR   7          2HG2      THR   7  -0.710   8.787   6.009
   54   HG23  THR   7          3HG2      THR   7  -0.691   7.113   6.513
   55    H    LEU   8           H        LEU   8   1.607   9.470   6.080
   56    HA   LEU   8           HA       LEU   8   1.759  12.365   6.370
   57    HB2  LEU   8           2HB      LEU   8   2.893  12.442   4.430
   58    HB3  LEU   8           3HB      LEU   8   3.246  10.795   4.922
   59    HG   LEU   8           HG       LEU   8   1.205  11.691   2.824
   60   HD11  LEU   8          1HD1      LEU   8   3.794  10.141   2.503
   61   HD12  LEU   8          2HD1      LEU   8   2.683  10.650   1.219
   62   HD13  LEU   8          3HD1      LEU   8   3.581  11.869   2.138
   63   HD21  LEU   8          3HD2      LEU   8   0.417   9.605   3.948
   64   HD22  LEU   8          1HD2      LEU   8   0.949   9.312   2.292
   65   HD23  LEU   8          2HD2      LEU   8   1.994   8.884   3.675
   66    H    GLY   9           H        GLY   9  -0.943  10.456   5.619
   67    HA2  GLY   9           2HA      GLY   9  -3.128  11.212   5.349
   68    HA3  GLY   9           3HA      GLY   9  -2.553  12.795   4.848
   69    H    ASP  10           H        ASP  10  -1.208  10.042   3.093
   70    HA   ASP  10           HA       ASP  10  -3.066  10.588   0.834
   71    HB2  ASP  10           2HB      ASP  10  -0.519  11.657   1.016
   72    HB3  ASP  10           3HB      ASP  10  -0.237  10.187   0.076
   73    H    PHE  11           H        PHE  11  -1.358   8.014   2.501
   74    HA   PHE  11           HA       PHE  11  -2.634   6.109   0.689
   75    HB2  PHE  11           2HB      PHE  11  -0.298   4.869   0.538
   76    HB3  PHE  11           3HB      PHE  11  -0.893   5.979  -0.666
   77    HD1  PHE  11           HD1      PHE  11   1.012   6.381   2.545
   78    HD2  PHE  11           HD2      PHE  11   0.757   7.185  -1.678
   79    HE1  PHE  11           HE1      PHE  11   3.321   7.343   2.572
   80    HE2  PHE  11           HE2      PHE  11   3.013   8.225  -1.620
   81    HZ   PHE  11           HZ       PHE  11   4.303   8.220   0.521
   82    H    ALA  12           H        ALA  12  -2.462   3.891   1.319
   83    HA   ALA  12           HA       ALA  12  -2.588   3.602   4.287
   84    HB1  ALA  12           1HB      ALA  12  -4.704   2.566   4.087
   85    HB2  ALA  12           2HB      ALA  12  -4.796   3.944   2.962
   86    HB3  ALA  12           3HB      ALA  12  -4.510   2.307   2.351
   87    H    ALA  13           H        ALA  13  -2.508   1.467   5.141
   88    HA   ALA  13           HA       ALA  13  -1.656  -0.773   3.416
   89    HB1  ALA  13           1HB      ALA  13  -0.022   0.250   5.794
   90    HB2  ALA  13           2HB      ALA  13   0.360  -1.155   4.763
   91    HB3  ALA  13           3HB      ALA  13   0.412   0.490   4.100
   92    H    GLU  14           H        GLU  14  -2.877  -2.505   4.038
   93    HA   GLU  14           HA       GLU  14  -3.274  -3.178   6.872
   94    HB2  GLU  14           2HB      GLU  14  -5.725  -3.199   6.751
   95    HB3  GLU  14           3HB      GLU  14  -5.080  -1.573   6.608
   96    HG2  GLU  14           2HG      GLU  14  -5.501  -1.542   4.199
   97    HG3  GLU  14           3HG      GLU  14  -5.959  -3.249   4.218
   98    H    TYR  15           H        TYR  15  -4.601  -5.296   7.081
   99    HA   TYR  15           HA       TYR  15  -3.927  -7.203   4.959
  100    HB2  TYR  15           2HB      TYR  15  -5.767  -7.467   7.357
  101    HB3  TYR  15           3HB      TYR  15  -5.281  -8.774   6.290
  102    HD1  TYR  15           HD2      TYR  15  -2.209  -7.445   6.283
  103    HD2  TYR  15           HD1      TYR  15  -5.036  -8.931   9.197
  104    HE1  TYR  15           HE2      TYR  15  -0.342  -8.100   7.753
  105    HE2  TYR  15           HE1      TYR  15  -3.154  -9.549  10.690
  106    HH   TYR  15           HH       TYR  15  -0.911  -9.653  10.939
  107    H    ALA  16           H        ALA  16  -5.117  -7.927   3.334
  108    HA   ALA  16           HA       ALA  16  -7.560  -6.631   2.517
  109    HB1  ALA  16           1HB      ALA  16  -7.408  -8.275   0.652
  110    HB2  ALA  16           2HB      ALA  16  -5.884  -7.402   0.924
  111    HB3  ALA  16           3HB      ALA  16  -6.056  -9.051   1.520
  112    H    LYS  17           H        LYS  17  -9.630  -7.231   2.790
  113    HA   LYS  17           HA       LYS  17 -10.184  -9.540   4.619
  114    HB2  LYS  17           2HB      LYS  17 -11.617  -6.890   4.159
  115    HB3  LYS  17           3HB      LYS  17 -12.155  -8.139   5.292
  116    HG2  LYS  17           2HG      LYS  17 -10.173  -7.911   6.647
  117    HG3  LYS  17           3HG      LYS  17  -9.388  -6.885   5.447
  118    HD2  LYS  17           2HD      LYS  17 -11.093  -5.113   5.811
  119    HD3  LYS  17           3HD      LYS  17 -11.853  -6.129   7.044
  120    HE2  LYS  17           2HE      LYS  17 -10.445  -4.521   8.162
  121    HE3  LYS  17           3HE      LYS  17  -9.731  -6.125   8.348
  122    HZ1  LYS  17           3HZ      LYS  17  -8.040  -4.509   7.770
  123    HZ2  LYS  17           1HZ      LYS  17  -8.185  -5.526   6.492
  124    HZ3  LYS  17           2HZ      LYS  17  -8.815  -4.032   6.415
  125    H    SER  18           H        SER  18 -10.955  -8.425   1.461
  126    HA   SER  18           HA       SER  18 -12.382 -10.921   0.914
  127    HB2  SER  18           2HB      SER  18 -14.257  -9.854  -0.223
  128    HB3  SER  18           3HB      SER  18 -14.227  -9.363   1.479
  129    HG   SER  18           HG       SER  18 -14.547  -7.534   0.240
  130    H    ASN  19           H        ASN  19 -12.441 -11.381  -1.395
  131    HA   ASN  19           HA       ASN  19 -10.087 -10.387  -2.773
  132    HB2  ASN  19           2HB      ASN  19 -12.194 -12.333  -3.777
  133    HB3  ASN  19           3HB      ASN  19 -10.564 -12.115  -4.406
  134   HD21  ASN  19          2HD2      ASN  19  -8.834 -13.332  -3.410
  135   HD22  ASN  19          1HD2      ASN  19  -9.192 -14.389  -2.067
  136    H    ARG  20           H        ARG  20 -12.588  -8.610  -2.352
  137    HA   ARG  20           HA       ARG  20 -13.466  -7.891  -5.065
  138    HB2  ARG  20           2HB      ARG  20 -13.995  -6.576  -2.365
  139    HB3  ARG  20           3HB      ARG  20 -14.806  -6.179  -3.873
  140    HG2  ARG  20           2HG      ARG  20 -15.002  -8.853  -2.416
  141    HG3  ARG  20           3HG      ARG  20 -16.207  -7.563  -2.417
  142    HD2  ARG  20           2HD      ARG  20 -16.449  -7.806  -4.886
  143    HD3  ARG  20           3HD      ARG  20 -15.307  -9.169  -4.843
  144    HE   ARG  20           HE       ARG  20 -17.339  -9.727  -2.961
  145   HH11  ARG  20          1HH2      ARG  20 -17.150  -9.410  -6.446
  146   HH12  ARG  20          2HH2      ARG  20 -18.492 -10.492  -6.708
  147   HH21  ARG  20          1HH1      ARG  20 -19.041 -11.095  -3.367
  148   HH22  ARG  20          2HH1      ARG  20 -19.528 -11.417  -5.004
  149    H    SER  21           H        SER  21 -10.952  -6.814  -2.893
  150    HA   SER  21           HA       SER  21 -10.406  -4.279  -4.205
  151    HB2  SER  21           2HB      SER  21  -8.626  -6.156  -2.598
  152    HB3  SER  21           3HB      SER  21  -8.115  -4.570  -3.208
  153    HG   SER  21           HG       SER  21  -9.814  -3.629  -1.999
  154    H    THR  22           H        THR  22  -9.003  -3.817  -5.895
  155    HA   THR  22           HA       THR  22  -7.647  -6.062  -7.302
  156    HB   THR  22           HB       THR  22  -9.247  -3.914  -8.700
  157    HG1  THR  22           1HG      THR  22 -10.678  -5.540  -9.208
  158   HG21  THR  22          1HG2      THR  22  -7.936  -6.422  -9.827
  159   HG22  THR  22          2HG2      THR  22  -8.887  -5.238 -10.739
  160   HG23  THR  22          3HG2      THR  22  -7.327  -4.767 -10.056
  161    H    CYS  23           HN       CYS  23  -5.669  -5.611  -8.011
  162    HA   CYS  23           HA       CYS  23  -4.396  -3.217  -7.027
  163    HB2  CYS  23           2HB      CYS  23  -3.320  -5.336  -6.831
  164    HB3  CYS  23           3HB      CYS  23  -3.577  -5.681  -8.542
  165    H    LYS  24           H        LYS  24  -4.576  -1.356  -8.114
  166    HA   LYS  24           HA       LYS  24  -4.862  -1.169 -11.033
  167    HB2  LYS  24           2HB      LYS  24  -4.635   0.759  -8.714
  168    HB3  LYS  24           3HB      LYS  24  -4.384   1.342 -10.363
  169    HG2  LYS  24           2HG      LYS  24  -6.684   1.675  -9.832
  170    HG3  LYS  24           3HG      LYS  24  -6.571   0.438 -11.065
  171    HD2  LYS  24           2HD      LYS  24  -7.109  -1.308  -9.456
  172    HD3  LYS  24           3HD      LYS  24  -6.888  -0.192  -8.103
  173    HE2  LYS  24           2HE      LYS  24  -9.237  -0.527  -8.402
  174    HE3  LYS  24           3HE      LYS  24  -8.849   1.131  -8.865
  175    HZ1  LYS  24           3HZ      LYS  24  -8.946   0.425 -11.206
  176    HZ2  LYS  24           1HZ      LYS  24  -9.287  -1.119 -10.768
  177    HZ3  LYS  24           2HZ      LYS  24 -10.350   0.073 -10.458
  178    H    GLY  25           H        GLY  25  -2.225  -1.758  -9.046
  179    HA2  GLY  25           2HA      GLY  25  -0.127  -0.471 -10.609
  180    HA3  GLY  25           3HA      GLY  25   0.066  -1.723  -9.380
  181    H    CYS  26           HN       CYS  26  -1.642  -3.676 -10.721
  182    HA   CYS  26           HA       CYS  26  -0.303  -4.109 -13.338
  183    HB2  CYS  26           2HB      CYS  26   0.268  -6.374 -12.896
  184    HB3  CYS  26           3HB      CYS  26   0.971  -5.366 -11.631
  185    H    MET  27           H        MET  27  -3.280  -3.997 -11.863
  186    HA   MET  27           HA       MET  27  -5.353  -4.488 -12.443
  187    HB2  MET  27           2HB      MET  27  -4.480  -3.576 -14.709
  188    HB3  MET  27           3HB      MET  27  -4.557  -5.250 -15.244
  189    HG2  MET  27           2HG      MET  27  -6.663  -4.695 -15.821
  190    HG3  MET  27           3HG      MET  27  -7.034  -5.037 -14.139
  191    HE1  MET  27           3HE      MET  27  -5.629  -2.275 -12.804
  192    HE2  MET  27           1HE      MET  27  -7.091  -1.280 -12.688
  193    HE3  MET  27           2HE      MET  27  -7.157  -3.002 -12.244
  194    H    GLU  28           H        GLU  28  -4.361  -6.317 -10.904
  195    HA   GLU  28           HA       GLU  28  -5.889  -8.709 -11.764
  196    HB2  GLU  28           2HB      GLU  28  -3.132  -8.882 -10.476
  197    HB3  GLU  28           3HB      GLU  28  -4.295 -10.203 -10.587
  198    HG2  GLU  28           2HG      GLU  28  -4.290  -9.878 -13.115
  199    HG3  GLU  28           3HG      GLU  28  -2.915  -8.790 -12.895
  200    H    LYS  29           H        LYS  29  -6.866  -9.871  -9.995
  201    HA   LYS  29           HA       LYS  29  -7.747  -7.957  -8.012
  202    HB2  LYS  29           2HB      LYS  29  -8.531 -10.868  -8.183
  203    HB3  LYS  29           3HB      LYS  29  -9.314  -9.568  -7.257
  204    HG2  LYS  29           2HG      LYS  29  -9.838  -8.379  -9.379
  205    HG3  LYS  29           3HG      LYS  29  -9.150  -9.734 -10.295
  206    HD2  LYS  29           2HD      LYS  29 -10.812 -11.270  -9.276
  207    HD3  LYS  29           3HD      LYS  29 -11.511  -9.908  -8.370
  208    HE2  LYS  29           2HE      LYS  29 -12.035  -8.751 -10.499
  209    HE3  LYS  29           3HE      LYS  29 -11.317 -10.085 -11.412
  210    HZ1  LYS  29           3HZ      LYS  29 -13.030 -11.555 -10.493
  211    HZ2  LYS  29           1HZ      LYS  29 -13.695 -10.326  -9.644
  212    HZ3  LYS  29           2HZ      LYS  29 -13.731 -10.308 -11.275
  213    H    ILE  30           H        ILE  30  -7.397  -7.799  -5.911
  214    HA   ILE  30           HA       ILE  30  -4.946  -9.004  -4.863
  215    HB   ILE  30           HB       ILE  30  -6.879  -6.896  -3.900
  216   HG12  ILE  30          2HG1      ILE  30  -3.892  -6.691  -4.457
  217   HG13  ILE  30          3HG1      ILE  30  -5.076  -6.542  -5.746
  218   HG21  ILE  30          1HG2      ILE  30  -4.438  -7.882  -2.372
  219   HG22  ILE  30          2HG2      ILE  30  -5.437  -6.467  -1.977
  220   HG23  ILE  30          3HG2      ILE  30  -6.128  -8.076  -1.849
  221   HD11  ILE  30          3HD1      ILE  30  -6.118  -4.617  -4.622
  222   HD12  ILE  30          1HD1      ILE  30  -4.878  -4.701  -3.339
  223   HD13  ILE  30          2HD1      ILE  30  -4.415  -4.355  -5.015
  224    H    GLU  31           H        GLU  31  -4.749 -10.596  -3.423
  225    HA   GLU  31           HA       GLU  31  -7.073 -12.229  -2.779
  226    HB2  GLU  31           2HB      GLU  31  -4.135 -12.486  -2.043
  227    HB3  GLU  31           3HB      GLU  31  -5.363 -13.687  -1.648
  228    HG2  GLU  31           2HG      GLU  31  -4.644 -12.847  -4.488
  229    HG3  GLU  31           3HG      GLU  31  -3.939 -14.204  -3.624
  230    H    LYS  32           H        LYS  32  -8.042 -12.570  -0.879
  231    HA   LYS  32           HA       LYS  32  -7.533 -10.702   1.300
  232    HB2  LYS  32           2HB      LYS  32  -9.450 -11.458   2.380
  233    HB3  LYS  32           3HB      LYS  32  -9.788 -11.324   0.672
  234    HG2  LYS  32           2HG      LYS  32 -10.899 -13.237   1.183
  235    HG3  LYS  32           3HG      LYS  32  -9.390 -13.884   0.548
  236    HD2  LYS  32           2HD      LYS  32 -10.102 -15.152   2.475
  237    HD3  LYS  32           3HD      LYS  32  -8.630 -14.292   2.917
  238    HE2  LYS  32           2HE      LYS  32  -9.960 -12.573   4.102
  239    HE3  LYS  32           3HE      LYS  32 -11.459 -13.333   3.555
  240    HZ1  LYS  32           3HZ      LYS  32  -9.465 -14.615   5.353
  241    HZ2  LYS  32           1HZ      LYS  32 -10.902 -13.999   5.822
  242    HZ3  LYS  32           2HZ      LYS  32 -10.859 -15.307   4.851
  243    H    GLY  33           H        GLY  33  -6.950 -11.145   3.396
  244    HA2  GLY  33           2HA      GLY  33  -5.920 -12.290   5.158
  245    HA3  GLY  33           3HA      GLY  33  -5.755 -13.734   4.158
  246    H    GLN  34           H        GLN  34  -4.547 -11.060   2.486
  247    HA   GLN  34           HA       GLN  34  -1.843 -11.119   3.682
  248    HB2  GLN  34           2HB      GLN  34  -0.750 -11.251   1.526
  249    HB3  GLN  34           3HB      GLN  34  -1.719 -12.670   1.854
  250    HG2  GLN  34           2HG      GLN  34  -2.059 -12.263  -0.434
  251    HG3  GLN  34           3HG      GLN  34  -3.524 -11.685   0.323
  252   HE21  GLN  34          1HE2      GLN  34  -4.085  -9.458  -0.068
  253   HE22  GLN  34          2HE2      GLN  34  -2.878  -8.287  -0.632
  254    H    VAL  35           H        VAL  35  -0.512  -9.156   2.816
  255    HA   VAL  35           HA       VAL  35  -2.017  -6.859   3.614
  256    HB   VAL  35           HB       VAL  35   0.769  -6.996   2.417
  257   HG11  VAL  35          1HG1      VAL  35  -0.060  -4.680   2.351
  258   HG12  VAL  35          2HG1      VAL  35  -0.593  -4.801   4.047
  259   HG13  VAL  35          3HG1      VAL  35   1.132  -4.855   3.631
  260   HG21  VAL  35          3HG2      VAL  35   1.521  -6.862   4.775
  261   HG22  VAL  35          1HG2      VAL  35  -0.164  -7.034   5.304
  262   HG23  VAL  35          2HG2      VAL  35   0.646  -8.355   4.444
  263    H    ARG  36           H        ARG  36  -2.887  -5.180   2.572
  264    HA   ARG  36           HA       ARG  36  -2.466  -4.798  -0.351
  265    HB2  ARG  36           2HB      ARG  36  -4.758  -4.043  -0.625
  266    HB3  ARG  36           3HB      ARG  36  -4.685  -5.720  -0.091
  267    HG2  ARG  36           2HG      ARG  36  -5.357  -5.121   2.164
  268    HG3  ARG  36           3HG      ARG  36  -5.282  -3.404   1.786
  269    HD2  ARG  36           2HD      ARG  36  -7.113  -3.682   0.123
  270    HD3  ARG  36           3HD      ARG  36  -7.201  -5.400   0.518
  271    HE   ARG  36           HE       ARG  36  -7.463  -3.751   2.892
  272   HH11  ARG  36          1HH2      ARG  36  -9.458  -4.750   0.147
  273   HH12  ARG  36          2HH2      ARG  36 -10.899  -4.658   1.104
  274   HH21  ARG  36          1HH1      ARG  36  -9.339  -3.484   3.924
  275   HH22  ARG  36          2HH1      ARG  36 -10.856  -3.901   3.152
  276    H    LEU  37           H        LEU  37  -2.021  -2.752  -0.988
  277    HA   LEU  37           HA       LEU  37  -2.031  -0.620   1.094
  278    HB2  LEU  37           2HB      LEU  37  -0.296  -0.619  -1.393
  279    HB3  LEU  37           3HB      LEU  37  -0.267   0.477  -0.004
  280    HG   LEU  37           HG       LEU  37   1.644  -0.704   0.153
  281   HD11  LEU  37          1HD1      LEU  37   0.446  -0.479   2.225
  282   HD12  LEU  37          2HD1      LEU  37  -0.179  -2.138   2.093
  283   HD13  LEU  37          3HD1      LEU  37   1.568  -1.848   2.251
  284   HD21  LEU  37          3HD2      LEU  37   1.119  -2.620  -1.342
  285   HD22  LEU  37          1HD2      LEU  37   1.941  -3.086   0.168
  286   HD23  LEU  37          2HD2      LEU  37   0.212  -3.394  -0.020
  287    H    SER  38           H        SER  38  -2.696   1.499   0.408
  288    HA   SER  38           HA       SER  38  -3.866   1.660  -2.295
  289    HB2  SER  38           2HB      SER  38  -5.910   2.582  -1.706
  290    HB3  SER  38           3HB      SER  38  -5.715   1.310  -0.501
  291    HG   SER  38           HG       SER  38  -6.363   3.305   0.439
  292    H    LYS  39           H        LYS  39  -4.171   3.845  -3.084
  293    HA   LYS  39           HA       LYS  39  -2.854   6.006  -1.496
  294    HB2  LYS  39           2HB      LYS  39  -1.335   5.687  -3.305
  295    HB3  LYS  39           3HB      LYS  39  -2.645   5.576  -4.490
  296    HG2  LYS  39           2HG      LYS  39  -3.188   7.909  -4.271
  297    HG3  LYS  39           3HG      LYS  39  -2.100   8.109  -2.878
  298    HD2  LYS  39           2HD      LYS  39  -0.155   7.789  -4.235
  299    HD3  LYS  39           3HD      LYS  39  -1.136   7.248  -5.616
  300    HE2  LYS  39           2HE      LYS  39  -0.762   9.364  -6.314
  301    HE3  LYS  39           3HE      LYS  39  -2.254   9.630  -5.413
  302    HZ1  LYS  39           3HZ      LYS  39  -0.864  10.415  -3.526
  303    HZ2  LYS  39           1HZ      LYS  39   0.498  10.078  -4.405
  304    HZ3  LYS  39           2HZ      LYS  39  -0.523  11.265  -4.871
  305    H    LYS  40           H        LYS  40  -4.094   7.726  -1.075
  306    HA   LYS  40           HA       LYS  40  -6.781   7.872  -2.258
  307    HB2  LYS  40           2HB      LYS  40  -6.829   8.097   0.045
  308    HB3  LYS  40           3HB      LYS  40  -5.489   9.226   0.084
  309    HG2  LYS  40           2HG      LYS  40  -7.685  10.256  -1.622
  310    HG3  LYS  40           3HG      LYS  40  -8.291   9.772  -0.057
  311    HD2  LYS  40           2HD      LYS  40  -7.631  12.120  -0.156
  312    HD3  LYS  40           3HD      LYS  40  -6.767  11.179   1.099
  313    HE2  LYS  40           2HE      LYS  40  -4.817  11.012  -0.537
  314    HE3  LYS  40           3HE      LYS  40  -5.638  12.191  -1.544
  315    HZ1  LYS  40           3HZ      LYS  40  -4.751  12.623   1.268
  316    HZ2  LYS  40           1HZ      LYS  40  -3.974  13.132  -0.061
  317    HZ3  LYS  40           2HZ      LYS  40  -5.455  13.773   0.313
  318    H    MET  41           H        MET  41  -7.091   8.975  -4.052
  319    HA   MET  41           HA       MET  41  -6.014  11.661  -4.460
  320    HB2  MET  41           2HB      MET  41  -4.945  11.202  -6.638
  321    HB3  MET  41           3HB      MET  41  -4.092  10.432  -5.308
  322    HG2  MET  41           2HG      MET  41  -5.233   8.272  -5.859
  323    HG3  MET  41           3HG      MET  41  -6.013   9.062  -7.232
  324    HE1  MET  41           3HE      MET  41  -4.480   6.408  -7.335
  325    HE2  MET  41           1HE      MET  41  -5.197   7.168  -8.776
  326    HE3  MET  41           2HE      MET  41  -3.518   6.571  -8.831
  327    H    VAL  42           H        VAL  42  -7.292  12.868  -5.985
  328    HA   VAL  42           HA       VAL  42  -9.661  11.907  -7.065
  329    HB   VAL  42           HB       VAL  42  -7.723  13.886  -8.332
  330   HG11  VAL  42          1HG1      VAL  42  -9.735  14.776  -9.520
  331   HG12  VAL  42          2HG1      VAL  42  -9.292  13.155 -10.047
  332   HG13  VAL  42          3HG1      VAL  42 -10.669  13.383  -8.935
  333   HG21  VAL  42          3HG2      VAL  42  -9.220  15.615  -7.369
  334   HG22  VAL  42          1HG2      VAL  42 -10.155  14.348  -6.552
  335   HG23  VAL  42          2HG2      VAL  42  -8.457  14.642  -6.115
  336    H    ASP  43           H        ASP  43 -10.194  10.473  -8.630
  337    HA   ASP  43           HA       ASP  43  -8.180   8.744  -9.658
  338    HB2  ASP  43           2HB      ASP  43 -10.583   8.157  -9.171
  339    HB3  ASP  43           3HB      ASP  43 -11.034   8.998 -10.640
  340    HA   PRO  44           HA       PRO  44  -7.071  11.354 -13.064
  341    HB2  PRO  44           2HB      PRO  44  -5.202   9.770 -14.340
  342    HB3  PRO  44           3HB      PRO  44  -4.911  10.547 -12.755
  343    HG2  PRO  44           2HG      PRO  44  -5.873   7.707 -13.275
  344    HG3  PRO  44           3HG      PRO  44  -4.521   8.239 -12.218
  345    HD2  PRO  44           2HD      PRO  44  -6.974   7.715 -11.226
  346    HD3  PRO  44           3HD      PRO  44  -6.006   9.084 -10.598
  347    H    GLU  45           H        GLU  45  -8.687   8.333 -13.499
  348    HA   GLU  45           HA       GLU  45  -9.191   8.809 -16.414
  349    HB2  GLU  45           2HB      GLU  45  -9.633   6.377 -14.643
  350    HB3  GLU  45           3HB      GLU  45 -10.017   6.463 -16.358
  351    HG2  GLU  45           2HG      GLU  45  -7.730   6.570 -16.999
  352    HG3  GLU  45           3HG      GLU  45  -7.178   6.970 -15.378
  353    H    LYS  46           H        LYS  46 -10.536   9.296 -13.350
  354    HA   LYS  46           HA       LYS  46 -13.300   9.776 -14.340
  355    HB2  LYS  46           2HB      LYS  46 -12.592   7.999 -11.982
  356    HB3  LYS  46           3HB      LYS  46 -14.221   8.525 -12.404
  357    HG2  LYS  46           2HG      LYS  46 -14.188   7.255 -14.459
  358    HG3  LYS  46           3HG      LYS  46 -12.513   6.748 -14.191
  359    HD2  LYS  46           2HD      LYS  46 -14.813   6.213 -12.277
  360    HD3  LYS  46           3HD      LYS  46 -14.249   5.050 -13.491
  361    HE2  LYS  46           2HE      LYS  46 -12.750   6.076 -11.045
  362    HE3  LYS  46           3HE      LYS  46 -13.334   4.439 -11.341
  363    HZ1  LYS  46           3HZ      LYS  46 -10.999   4.525 -11.749
  364    HZ2  LYS  46           1HZ      LYS  46 -11.692   4.372 -13.232
  365    HZ3  LYS  46           2HZ      LYS  46 -11.083   5.824 -12.700
  366    HA   PRO  47           HA       PRO  47 -11.381  12.770 -11.199
  367    HB2  PRO  47           2HB      PRO  47 -11.677  15.126 -12.625
  368    HB3  PRO  47           3HB      PRO  47 -10.244  14.056 -12.692
  369    HG2  PRO  47           2HG      PRO  47 -12.612  14.107 -14.590
  370    HG3  PRO  47           3HG      PRO  47 -10.860  14.094 -14.994
  371    HD2  PRO  47           2HD      PRO  47 -12.300  11.823 -15.039
  372    HD3  PRO  47           3HD      PRO  47 -10.637  11.831 -14.377
  373    H    GLN  48           H        GLN  48 -14.407  12.590 -12.911
  374    HA   GLN  48           HA       GLN  48 -15.963  14.478 -11.461
  375    HB2  GLN  48           2HB      GLN  48 -16.603  13.432 -13.601
  376    HB3  GLN  48           3HB      GLN  48 -16.711  11.857 -12.820
  377    HG2  GLN  48           2HG      GLN  48 -18.923  12.788 -13.204
  378    HG3  GLN  48           3HG      GLN  48 -18.637  12.615 -11.482
  379   HE21  GLN  48          2HE2      GLN  48 -18.224  14.619 -10.214
  380   HE22  GLN  48          1HE2      GLN  48 -18.810  16.157 -10.856
  381    H    LEU  49           H        LEU  49 -14.838  11.196 -10.487
  382    HA   LEU  49           HA       LEU  49 -16.600  10.836  -8.249
  383    HB2  LEU  49           2HB      LEU  49 -13.685  10.104  -8.792
  384    HB3  LEU  49           3HB      LEU  49 -14.567   9.518  -7.395
  385    HG   LEU  49           HG       LEU  49 -15.398   8.921 -10.266
  386   HD11  LEU  49          1HD1      LEU  49 -13.837   7.342  -8.189
  387   HD12  LEU  49          2HD1      LEU  49 -14.416   6.695  -9.744
  388   HD13  LEU  49          3HD1      LEU  49 -13.199   8.001  -9.699
  389   HD21  LEU  49          3HD2      LEU  49 -17.263   8.767  -8.671
  390   HD22  LEU  49          1HD2      LEU  49 -16.735   7.138  -9.121
  391   HD23  LEU  49          2HD2      LEU  49 -16.257   7.827  -7.547
  392    H    GLY  50           H        GLY  50 -13.849  13.008  -8.649
  393    HA2  GLY  50           2HA      GLY  50 -12.491  14.115  -7.125
  394    HA3  GLY  50           3HA      GLY  50 -13.629  13.749  -5.825
  395    H    MET  51           H        MET  51 -12.100  12.992  -4.442
  396    HA   MET  51           HA       MET  51  -9.912  11.338  -5.036
  397    HB2  MET  51           2HB      MET  51 -10.946  11.902  -2.254
  398    HB3  MET  51           3HB      MET  51  -9.301  11.551  -2.778
  399    HG2  MET  51           2HG      MET  51  -9.634  13.767  -4.225
  400    HG3  MET  51           3HG      MET  51 -10.914  14.086  -3.060
  401    HE1  MET  51           3HE      MET  51  -7.222  12.682  -3.029
  402    HE2  MET  51           1HE      MET  51  -7.300  14.169  -3.996
  403    HE3  MET  51           2HE      MET  51  -6.374  14.152  -2.478
  404    H    ILE  52           H        ILE  52  -9.394   9.276  -4.466
  405    HA   ILE  52           HA       ILE  52 -11.412   7.516  -3.304
  406    HB   ILE  52           HB       ILE  52 -11.024   5.799  -5.186
  407   HG12  ILE  52          2HG1      ILE  52 -10.950   6.766  -7.479
  408   HG13  ILE  52          3HG1      ILE  52 -10.347   8.288  -6.823
  409   HG21  ILE  52          1HG2      ILE  52 -12.946   6.480  -6.339
  410   HG22  ILE  52          2HG2      ILE  52 -13.132   7.010  -4.659
  411   HG23  ILE  52          3HG2      ILE  52 -12.700   8.199  -5.932
  412   HD11  ILE  52          3HD1      ILE  52  -8.257   7.187  -6.182
  413   HD12  ILE  52          1HD1      ILE  52  -8.963   5.589  -6.561
  414   HD13  ILE  52          2HD1      ILE  52  -8.630   6.769  -7.847
  415    H    ASP  53           H        ASP  53 -10.610   5.499  -2.621
  416    HA   ASP  53           HA       ASP  53  -7.688   5.441  -2.043
  417    HB2  ASP  53           2HB      ASP  53 -10.042   3.909  -0.886
  418    HB3  ASP  53           3HB      ASP  53  -8.363   3.520  -0.547
  419    H    ARG  54           H        ARG  54  -6.935   4.927  -4.051
  420    HA   ARG  54           HA       ARG  54  -7.893   2.632  -5.605
  421    HB2  ARG  54           2HB      ARG  54  -6.830   4.955  -6.326
  422    HB3  ARG  54           3HB      ARG  54  -5.304   4.124  -6.127
  423    HG2  ARG  54           2HG      ARG  54  -5.564   2.843  -7.978
  424    HG3  ARG  54           3HG      ARG  54  -7.300   2.641  -7.765
  425    HD2  ARG  54           2HD      ARG  54  -7.870   4.445  -9.016
  426    HD3  ARG  54           3HD      ARG  54  -6.564   5.441  -8.412
  427    HE   ARG  54           HE       ARG  54  -5.043   3.947  -9.907
  428   HH11  ARG  54          1HH2      ARG  54  -8.227   5.186 -10.986
  429   HH12  ARG  54          2HH2      ARG  54  -7.737   4.868 -12.656
  430   HH21  ARG  54          1HH1      ARG  54  -4.680   3.716 -12.134
  431   HH22  ARG  54          2HH1      ARG  54  -5.998   4.162 -13.220
  432    H    TRP  55           H        TRP  55  -7.190   0.536  -5.376
  433    HA   TRP  55           HA       TRP  55  -5.093   0.028  -3.384
  434    HB2  TRP  55           2HB      TRP  55  -7.092  -1.835  -4.673
  435    HB3  TRP  55           3HB      TRP  55  -5.934  -2.288  -3.431
  436    HD1  TRP  55           HD1      TRP  55  -9.260  -0.572  -3.885
  437    HE1  TRP  55           HE1      TRP  55 -10.280   0.046  -1.623
  438    HE3  TRP  55           HE3      TRP  55  -5.261  -1.641  -0.861
  439    HZ2  TRP  55           HZ2      TRP  55  -9.446   0.171   1.133
  440    HZ3  TRP  55           HZ3      TRP  55  -5.363  -1.129   1.569
  441    HH2  TRP  55           HH2      TRP  55  -7.451  -0.241   2.577
  442    H    TYR  56           H        TYR  56  -3.461  -1.458  -3.551
  443    HA   TYR  56           HA       TYR  56  -2.359  -2.355  -6.143
  444    HB2  TYR  56           2HB      TYR  56  -0.924  -0.618  -4.085
  445    HB3  TYR  56           3HB      TYR  56  -0.203  -1.300  -5.536
  446    HD1  TYR  56           HD2      TYR  56  -0.817  -0.439  -7.764
  447    HD2  TYR  56           HD1      TYR  56  -2.310   1.409  -4.191
  448    HE1  TYR  56           HE2      TYR  56  -1.582   1.528  -9.111
  449    HE2  TYR  56           HE1      TYR  56  -3.068   3.368  -5.516
  450    HH   TYR  56           HH       TYR  56  -3.230   4.311  -7.593
  451    H    HIS  57           H        HIS  57  -0.822  -4.053  -5.917
  452    HA   HIS  57           HA       HIS  57  -0.878  -5.711  -3.513
  453    HB2  HIS  57           2HB      HIS  57   0.877  -5.881  -5.959
  454    HB3  HIS  57           3HB      HIS  57   0.964  -7.017  -4.649
  455    HD2  HIS  57           HD2      HIS  57  -1.476  -8.344  -4.042
  456    HE1  HIS  57           HE1      HIS  57  -2.718  -8.361  -8.107
  457    HE2  HIS  57           HE2      HIS  57  -3.062  -9.434  -5.850
  458    HA   PRO  58           HA       PRO  58   2.827  -4.254  -1.320
  459    HB2  PRO  58           2HB      PRO  58   3.579  -7.171  -1.240
  460    HB3  PRO  58           3HB      PRO  58   3.627  -5.955   0.078
  461    HG2  PRO  58           2HG      PRO  58   1.567  -7.685  -0.031
  462    HG3  PRO  58           3HG      PRO  58   1.229  -5.941   0.242
  463    HD2  PRO  58           2HD      PRO  58   1.078  -7.497  -2.357
  464    HD3  PRO  58           3HD      PRO  58  -0.117  -6.370  -1.647
  465    H    GLY  59           H        GLY  59   3.341  -6.415  -4.082
  466    HA2  GLY  59           2HA      GLY  59   6.148  -5.554  -4.454
  467    HA3  GLY  59           3HA      GLY  59   5.185  -6.557  -5.543
  468    H    CYS  60           HN       CYS  60   2.990  -5.021  -6.105
  469    HA   CYS  60           HA       CYS  60   4.020  -3.414  -8.123
  470    HB2  CYS  60           2HB      CYS  60   1.176  -3.488  -7.060
  471    HB3  CYS  60           3HB      CYS  60   1.686  -3.023  -8.689
  472    H    PHE  61           H        PHE  61   2.524  -2.378  -5.018
  473    HA   PHE  61           HA       PHE  61   2.387   0.376  -5.739
  474    HB2  PHE  61           2HB      PHE  61   1.605   0.729  -3.691
  475    HB3  PHE  61           3HB      PHE  61   1.475  -1.021  -3.640
  476    HD1  PHE  61           HD1      PHE  61   3.334  -2.347  -2.570
  477    HD2  PHE  61           HD2      PHE  61   3.131   1.920  -2.305
  478    HE1  PHE  61           HE1      PHE  61   4.753  -2.427  -0.508
  479    HE2  PHE  61           HE2      PHE  61   4.545   1.868  -0.231
  480    HZ   PHE  61           HZ       PHE  61   5.343  -0.313   0.665
  481    H    VAL  62           H        VAL  62   5.099  -1.531  -4.429
  482    HA   VAL  62           HA       VAL  62   6.974   0.664  -4.300
  483    HB   VAL  62           HB       VAL  62   7.636  -2.267  -4.694
  484   HG11  VAL  62          1HG1      VAL  62   9.266   0.073  -3.601
  485   HG12  VAL  62          2HG1      VAL  62   9.780  -1.627  -3.619
  486   HG13  VAL  62          3HG1      VAL  62   9.550  -0.770  -5.142
  487   HG21  VAL  62          3HG2      VAL  62   7.969  -2.282  -2.225
  488   HG22  VAL  62          1HG2      VAL  62   7.280  -0.643  -2.133
  489   HG23  VAL  62          2HG2      VAL  62   6.295  -2.022  -2.673
  490    H    LYS  63           H        LYS  63   6.171  -1.663  -6.911
  491    HA   LYS  63           HA       LYS  63   8.133  -0.882  -8.773
  492    HB2  LYS  63           2HB      LYS  63   6.707  -2.881  -8.981
  493    HB3  LYS  63           3HB      LYS  63   5.287  -1.865  -9.219
  494    HG2  LYS  63           2HG      LYS  63   6.190  -1.032 -11.358
  495    HG3  LYS  63           3HG      LYS  63   7.636  -2.021 -11.125
  496    HD2  LYS  63           2HD      LYS  63   6.080  -3.110 -12.666
  497    HD3  LYS  63           3HD      LYS  63   6.288  -4.066 -11.207
  498    HE2  LYS  63           2HE      LYS  63   3.973  -4.109 -11.912
  499    HE3  LYS  63           3HE      LYS  63   4.098  -3.315 -10.346
  500    HZ1  LYS  63           3HZ      LYS  63   3.731  -1.198 -11.386
  501    HZ2  LYS  63           1HZ      LYS  63   3.939  -1.808 -12.905
  502    HZ3  LYS  63           2HZ      LYS  63   2.623  -2.195 -12.022
  503    H    ASN  64           H        ASN  64   5.076   0.744  -8.058
  504    HA   ASN  64           HA       ASN  64   5.812   2.948  -9.935
  505    HB2  ASN  64           2HB      ASN  64   3.146   3.343  -9.608
  506    HB3  ASN  64           3HB      ASN  64   3.923   2.543 -10.945
  507   HD21  ASN  64          1HD2      ASN  64   2.162   1.874  -7.870
  508   HD22  ASN  64          2HD2      ASN  64   1.654   0.293  -8.459
  509    H    ARG  65           H        ARG  65   6.522   2.500  -6.892
  510    HA   ARG  65           HA       ARG  65   5.080   4.268  -5.379
  511    HB2  ARG  65           2HB      ARG  65   6.673   4.159  -3.763
  512    HB3  ARG  65           3HB      ARG  65   7.038   2.731  -4.673
  513    HG2  ARG  65           2HG      ARG  65   8.562   5.373  -4.922
  514    HG3  ARG  65           3HG      ARG  65   9.017   4.060  -3.853
  515    HD2  ARG  65           2HD      ARG  65   9.497   2.566  -5.627
  516    HD3  ARG  65           3HD      ARG  65   8.656   3.564  -6.808
  517    HE   ARG  65           HE       ARG  65  10.583   4.782  -7.169
  518   HH11  ARG  65          1HH2      ARG  65  11.167   3.054  -4.166
  519   HH12  ARG  65          2HH2      ARG  65  12.837   3.551  -4.153
  520   HH21  ARG  65          1HH1      ARG  65  12.555   5.291  -7.133
  521   HH22  ARG  65          2HH1      ARG  65  13.641   4.825  -5.820
  522    H    GLU  66           H        GLU  66   7.782   5.227  -7.471
  523    HA   GLU  66           HA       GLU  66   7.643   7.960  -6.560
  524    HB2  GLU  66           2HB      GLU  66   9.379   8.427  -8.217
  525    HB3  GLU  66           3HB      GLU  66   9.745   7.069  -7.160
  526    HG2  GLU  66           2HG      GLU  66   8.961   5.520  -9.047
  527    HG3  GLU  66           3HG      GLU  66   8.893   6.952 -10.081
  528    H    GLU  67           H        GLU  67   6.045   6.200  -9.067
  529    HA   GLU  67           HA       GLU  67   4.957   8.508 -10.475
  530    HB2  GLU  67           2HB      GLU  67   5.334   6.311 -11.554
  531    HB3  GLU  67           3HB      GLU  67   4.078   5.606 -10.529
  532    HG2  GLU  67           2HG      GLU  67   2.393   7.103 -11.500
  533    HG3  GLU  67           3HG      GLU  67   3.637   7.945 -12.430
  534    H    LEU  68           H        LEU  68   3.884   6.241  -7.907
  535    HA   LEU  68           HA       LEU  68   1.380   7.585  -7.329
  536    HB2  LEU  68           2HB      LEU  68   3.146   5.772  -5.635
  537    HB3  LEU  68           3HB      LEU  68   1.522   6.274  -5.196
  538    HG   LEU  68           HG       LEU  68   2.214   4.575  -7.631
  539   HD11  LEU  68          1HD1      LEU  68   1.112   2.759  -6.323
  540   HD12  LEU  68          2HD1      LEU  68   2.597   3.357  -5.548
  541   HD13  LEU  68          3HD1      LEU  68   1.004   3.850  -4.935
  542   HD21  LEU  68          3HD2      LEU  68  -0.512   5.180  -6.437
  543   HD22  LEU  68          1HD2      LEU  68   0.122   5.901  -7.941
  544   HD23  LEU  68          2HD2      LEU  68  -0.145   4.165  -7.845
  545    H    GLY  69           H        GLY  69   4.686   8.382  -6.523
  546    HA2  GLY  69           2HA      GLY  69   5.162  10.699  -6.070
  547    HA3  GLY  69           3HA      GLY  69   3.639  10.863  -5.205
  548    H    PHE  70           H        PHE  70   5.342   7.975  -4.382
  549    HA   PHE  70           HA       PHE  70   6.138   8.774  -1.725
  550    HB2  PHE  70           2HB      PHE  70   6.988   6.527  -3.580
  551    HB3  PHE  70           3HB      PHE  70   7.738   6.770  -2.030
  552    HD1  PHE  70           HD2      PHE  70   4.611   5.676  -3.682
  553    HD2  PHE  70           HD1      PHE  70   6.655   6.349   0.033
  554    HE1  PHE  70           HE2      PHE  70   2.891   4.327  -2.496
  555    HE2  PHE  70           HE1      PHE  70   5.019   4.929   1.213
  556    HZ   PHE  70           HZ       PHE  70   3.091   3.940  -0.051
  557    H    ARG  71           H        ARG  71   7.995   9.544  -0.977
  558    HA   ARG  71           HA       ARG  71  10.431   9.689  -2.600
  559    HB2  ARG  71           2HB      ARG  71   9.360  12.087  -1.039
  560    HB3  ARG  71           3HB      ARG  71  10.931  12.005  -1.820
  561    HG2  ARG  71           2HG      ARG  71   8.247  11.941  -3.274
  562    HG3  ARG  71           3HG      ARG  71   9.288  13.344  -3.086
  563    HD2  ARG  71           2HD      ARG  71  11.076  12.251  -4.364
  564    HD3  ARG  71           3HD      ARG  71  10.107  10.804  -4.567
  565    HE   ARG  71           HE       ARG  71   9.727  13.435  -5.876
  566   HH11  ARG  71          1HH2      ARG  71   8.360  10.206  -5.555
  567   HH12  ARG  71          2HH2      ARG  71   7.515  10.349  -7.097
  568   HH21  ARG  71          1HH1      ARG  71   8.560  13.528  -7.751
  569   HH22  ARG  71          2HH1      ARG  71   7.590  12.170  -8.242
  570    HA   PRO  72           HA       PRO  72  12.139   7.749   0.758
  571    HB2  PRO  72           2HB      PRO  72  14.376   9.765   0.946
  572    HB3  PRO  72           3HB      PRO  72  14.464   7.973   0.883
  573    HG2  PRO  72           2HG      PRO  72  14.948   9.422  -1.342
  574    HG3  PRO  72           3HG      PRO  72  13.902   7.963  -1.445
  575    HD2  PRO  72           2HD      PRO  72  13.067  10.870  -1.267
  576    HD3  PRO  72           3HD      PRO  72  12.471   9.583  -2.353
  577    H    GLU  73           H        GLU  73  11.704  11.167   1.464
  578    HA   GLU  73           HA       GLU  73  12.078  10.958   4.328
  579    HB2  GLU  73           2HB      GLU  73  11.272  13.229   4.403
  580    HB3  GLU  73           3HB      GLU  73  12.420  13.038   3.080
  581    HG2  GLU  73           2HG      GLU  73  10.486  12.866   1.473
  582    HG3  GLU  73           3HG      GLU  73   9.382  13.150   2.820
  583    H    TYR  74           H        TYR  74   9.407   9.978   2.360
  584    HA   TYR  74           HA       TYR  74   7.865   9.393   4.786
  585    HB2  TYR  74           2HB      TYR  74   5.740  10.303   3.751
  586    HB3  TYR  74           3HB      TYR  74   6.867  11.390   4.504
  587    HD1  TYR  74           HD1      TYR  74   6.905  10.090   0.932
  588    HD2  TYR  74           HD2      TYR  74   6.462  13.458   3.592
  589    HE1  TYR  74           HE1      TYR  74   6.736  11.615  -1.022
  590    HE2  TYR  74           HE2      TYR  74   6.331  14.981   1.631
  591    HH   TYR  74           HH       TYR  74   6.472  13.767  -1.740
  592    H    SER  75           H        SER  75   9.045   7.467   3.876
  593    HA   SER  75           HA       SER  75   7.916   6.050   1.645
  594    HB2  SER  75           2HB      SER  75   9.821   5.184   3.811
  595    HB3  SER  75           3HB      SER  75   9.518   4.341   2.277
  596    HG   SER  75           HG       SER  75  11.367   5.749   2.245
  597    H    ALA  76           H        ALA  76   7.866   3.381   2.548
  598    HA   ALA  76           HA       ALA  76   5.153   2.985   2.923
  599    HB1  ALA  76           1HB      ALA  76   7.412   1.057   3.585
  600    HB2  ALA  76           2HB      ALA  76   5.733   0.654   3.172
  601    HB3  ALA  76           3HB      ALA  76   6.778   1.392   1.953
  602    H    SER  77           H        SER  77   7.286   3.846   5.485
  603    HA   SER  77           HA       SER  77   5.815   2.640   7.678
  604    HB2  SER  77           2HB      SER  77   7.349   4.131   9.014
  605    HB3  SER  77           3HB      SER  77   8.161   3.015   7.905
  606    HG   SER  77           HG       SER  77   7.883   5.803   7.748
  607    H    GLN  78           H        GLN  78   5.192   5.479   5.718
  608    HA   GLN  78           HA       GLN  78   3.707   6.802   7.890
  609    HB2  GLN  78           2HB      GLN  78   4.388   7.953   5.181
  610    HB3  GLN  78           3HB      GLN  78   3.877   8.801   6.637
  611    HG2  GLN  78           2HG      GLN  78   6.572   7.536   6.053
  612    HG3  GLN  78           3HG      GLN  78   6.188   9.234   6.320
  613   HE21  GLN  78          2HE2      GLN  78   5.084   9.594   8.709
  614   HE22  GLN  78          1HE2      GLN  78   6.072   8.833   9.935
  615    H    LEU  79           H        LEU  79   2.711   4.407   6.311
  616    HA   LEU  79           HA       LEU  79   0.369   5.486   4.879
  617    HB2  LEU  79           2HB      LEU  79   1.569   2.717   5.186
  618    HB3  LEU  79           3HB      LEU  79   0.006   2.983   4.442
  619    HG   LEU  79           HG       LEU  79   0.985   4.204   2.574
  620   HD11  LEU  79          1HD1      LEU  79   3.575   3.999   4.075
  621   HD12  LEU  79          2HD1      LEU  79   3.381   4.483   2.370
  622   HD13  LEU  79          3HD1      LEU  79   2.695   5.457   3.656
  623   HD21  LEU  79          3HD2      LEU  79   2.532   1.688   3.221
  624   HD22  LEU  79          1HD2      LEU  79   0.972   1.829   2.362
  625   HD23  LEU  79          2HD2      LEU  79   2.433   2.472   1.627
  626    H    LYS  80           H        LYS  80  -1.703   5.172   5.360
  627    HA   LYS  80           HA       LYS  80  -2.594   5.199   8.055
  628    HB2  LYS  80           2HB      LYS  80  -4.235   4.279   5.641
  629    HB3  LYS  80           3HB      LYS  80  -4.879   4.721   7.211
  630    HG2  LYS  80           2HG      LYS  80  -4.052   7.014   6.924
  631    HG3  LYS  80           3HG      LYS  80  -3.441   6.599   5.307
  632    HD2  LYS  80           2HD      LYS  80  -6.363   6.518   6.193
  633    HD3  LYS  80           3HD      LYS  80  -5.601   7.833   5.292
  634    HE2  LYS  80           2HE      LYS  80  -5.070   6.223   3.443
  635    HE3  LYS  80           3HE      LYS  80  -5.953   4.967   4.328
  636    HZ1  LYS  80           3HZ      LYS  80  -7.963   6.297   4.120
  637    HZ2  LYS  80           1HZ      LYS  80  -7.164   7.495   3.348
  638    HZ3  LYS  80           2HZ      LYS  80  -7.349   6.040   2.626
  639    H    GLY  81           H        GLY  81  -2.662   3.605   9.566
  640    HA2  GLY  81           2HA      GLY  81  -3.081   1.557  10.550
  641    HA3  GLY  81           3HA      GLY  81  -3.692   0.957   9.012
  642    H    PHE  82           H        PHE  82  -0.422   2.067   8.652
  643    HA   PHE  82           HA       PHE  82   0.634  -0.497   8.013
  644    HB2  PHE  82           2HB      PHE  82   1.738   1.385   7.121
  645    HB3  PHE  82           3HB      PHE  82   1.770   2.228   8.657
  646    HD1  PHE  82           HD1      PHE  82   3.528  -0.334   6.610
  647    HD2  PHE  82           HD2      PHE  82   3.472   1.898  10.300
  648    HE1  PHE  82           HE1      PHE  82   5.885  -0.961   7.034
  649    HE2  PHE  82           HE2      PHE  82   5.825   1.224  10.739
  650    HZ   PHE  82           HZ       PHE  82   7.030  -0.208   9.098
  651    H    SER  83           H        SER  83   0.727   1.361  11.048
  652    HA   SER  83           HA       SER  83   2.449  -0.309  12.557
  653    HB2  SER  83           2HB      SER  83   1.413   0.893  14.481
  654    HB3  SER  83           3HB      SER  83   1.889   1.978  13.150
  655    HG   SER  83           HG       SER  83  -0.224   2.438  13.964
  656    H    LEU  84           H        LEU  84  -0.963  -0.710  11.783
  657    HA   LEU  84           HA       LEU  84  -1.545  -2.573  13.903
  658    HB2  LEU  84           2HB      LEU  84  -3.021  -0.839  12.450
  659    HB3  LEU  84           3HB      LEU  84  -3.212  -2.241  11.410
  660    HG   LEU  84           HG       LEU  84  -4.103  -3.506  13.447
  661   HD11  LEU  84          1HD1      LEU  84  -4.003  -0.695  14.643
  662   HD12  LEU  84          2HD1      LEU  84  -4.900  -2.068  15.341
  663   HD13  LEU  84          3HD1      LEU  84  -3.136  -2.117  15.247
  664   HD21  LEU  84          3HD2      LEU  84  -5.535  -0.939  12.637
  665   HD22  LEU  84          1HD2      LEU  84  -5.588  -2.484  11.760
  666   HD23  LEU  84          2HD2      LEU  84  -6.293  -2.368  13.381
  667    H    LEU  85           H        LEU  85   0.065  -2.990  10.926
  668    HA   LEU  85           HA       LEU  85  -0.729  -5.733  10.329
  669    HB2  LEU  85           2HB      LEU  85   1.799  -4.185   9.665
  670    HB3  LEU  85           3HB      LEU  85   1.345  -5.715   8.945
  671    HG   LEU  85           HG       LEU  85  -0.313  -3.171   8.630
  672   HD11  LEU  85          1HD1      LEU  85   0.688  -3.026   6.388
  673   HD12  LEU  85          2HD1      LEU  85   1.936  -2.898   7.636
  674   HD13  LEU  85          3HD1      LEU  85   1.729  -4.423   6.745
  675   HD21  LEU  85          3HD2      LEU  85  -0.328  -5.819   7.172
  676   HD22  LEU  85          1HD2      LEU  85  -1.612  -5.193   8.233
  677   HD23  LEU  85          2HD2      LEU  85  -1.251  -4.388   6.692
  678    H    ALA  86           H        ALA  86   0.796  -7.608  10.506
  679    HA   ALA  86           HA       ALA  86   2.082  -7.956  13.065
  680    HB1  ALA  86           1HB      ALA  86   2.281  -9.470  10.428
  681    HB2  ALA  86           2HB      ALA  86   3.036  -9.998  11.951
  682    HB3  ALA  86           3HB      ALA  86   1.275  -9.879  11.837
  683    H    THR  87           H        THR  87   4.267  -7.891  13.611
  684    HA   THR  87           HA       THR  87   5.770  -5.756  12.652
  685    HB   THR  87           HB       THR  87   6.865  -8.213  14.046
  686    HG1  THR  87           1HG      THR  87   6.256  -7.124  15.931
  687   HG21  THR  87          1HG2      THR  87   8.383  -6.563  15.153
  688   HG22  THR  87          2HG2      THR  87   8.644  -6.618  13.408
  689   HG23  THR  87          3HG2      THR  87   7.722  -5.276  14.120
  690    H    GLU  88           H        GLU  88   6.052  -9.183  11.643
  691    HA   GLU  88           HA       GLU  88   8.396  -8.850  10.040
  692    HB2  GLU  88           2HB      GLU  88   7.814 -10.964   9.035
  693    HB3  GLU  88           3HB      GLU  88   7.585 -11.023  10.782
  694    HG2  GLU  88           2HG      GLU  88   5.110 -10.690  10.424
  695    HG3  GLU  88           3HG      GLU  88   5.389 -10.758   8.681
  696    H    ASP  89           H        ASP  89   5.020  -8.042   9.335
  697    HA   ASP  89           HA       ASP  89   5.580  -7.576   6.466
  698    HB2  ASP  89           2HB      ASP  89   3.114  -7.150   8.178
  699    HB3  ASP  89           3HB      ASP  89   3.233  -6.653   6.494
  700    H    LYS  90           H        LYS  90   5.162  -5.625   9.444
  701    HA   LYS  90           HA       LYS  90   5.525  -3.043   8.198
  702    HB2  LYS  90           2HB      LYS  90   6.045  -4.103  10.997
  703    HB3  LYS  90           3HB      LYS  90   6.466  -2.451  10.556
  704    HG2  LYS  90           2HG      LYS  90   4.348  -1.723  10.627
  705    HG3  LYS  90           3HG      LYS  90   3.765  -3.060   9.653
  706    HD2  LYS  90           2HD      LYS  90   2.617  -3.133  11.730
  707    HD3  LYS  90           3HD      LYS  90   3.718  -4.504  11.673
  708    HE2  LYS  90           2HE      LYS  90   5.279  -3.358  13.180
  709    HE3  LYS  90           3HE      LYS  90   4.278  -1.895  13.133
  710    HZ1  LYS  90           3HZ      LYS  90   3.826  -3.282  15.117
  711    HZ2  LYS  90           1HZ      LYS  90   2.488  -3.105  14.184
  712    HZ3  LYS  90           2HZ      LYS  90   3.313  -4.512  14.161
  713    H    GLU  91           H        GLU  91   7.919  -5.400   9.406
  714    HA   GLU  91           HA       GLU  91  10.222  -3.832   8.612
  715    HB2  GLU  91           2HB      GLU  91   9.846  -6.815   9.065
  716    HB3  GLU  91           3HB      GLU  91  11.398  -6.074   8.683
  717    HG2  GLU  91           2HG      GLU  91   9.706  -5.381  11.124
  718    HG3  GLU  91           3HG      GLU  91  11.060  -6.501  11.115
  719    H    ALA  92           H        ALA  92   8.464  -6.506   6.886
  720    HA   ALA  92           HA       ALA  92  10.146  -6.474   4.624
  721    HB1  ALA  92           1HB      ALA  92   7.221  -7.249   4.843
  722    HB2  ALA  92           2HB      ALA  92   8.334  -7.719   3.537
  723    HB3  ALA  92           3HB      ALA  92   8.624  -8.292   5.192
  724    H    LEU  93           H        LEU  93   7.245  -4.432   5.204
  725    HA   LEU  93           HA       LEU  93   7.186  -3.298   2.542
  726    HB2  LEU  93           2HB      LEU  93   6.136  -2.390   5.245
  727    HB3  LEU  93           3HB      LEU  93   5.853  -1.487   3.762
  728    HG   LEU  93           HG       LEU  93   4.946  -4.370   4.162
  729   HD11  LEU  93          1HD1      LEU  93   3.393  -1.755   4.382
  730   HD12  LEU  93          2HD1      LEU  93   2.708  -3.392   4.478
  731   HD13  LEU  93          3HD1      LEU  93   3.826  -2.835   5.730
  732   HD21  LEU  93          3HD2      LEU  93   4.210  -2.301   2.054
  733   HD22  LEU  93          1HD2      LEU  93   5.180  -3.768   1.786
  734   HD23  LEU  93          2HD2      LEU  93   3.480  -3.912   2.239
  735    H    LYS  94           H        LYS  94   8.751  -2.210   5.600
  736    HA   LYS  94           HA       LYS  94  10.022   0.124   4.439
  737    HB2  LYS  94           2HB      LYS  94  10.711  -1.592   6.849
  738    HB3  LYS  94           3HB      LYS  94  11.569  -0.107   6.422
  739    HG2  LYS  94           2HG      LYS  94   9.486   1.205   6.628
  740    HG3  LYS  94           3HG      LYS  94   8.598  -0.246   7.094
  741    HD2  LYS  94           2HD      LYS  94  10.932   1.007   8.615
  742    HD3  LYS  94           3HD      LYS  94   9.223   1.100   9.071
  743    HE2  LYS  94           2HE      LYS  94   9.149  -1.367   9.344
  744    HE3  LYS  94           3HE      LYS  94  10.837  -1.481   8.851
  745    HZ1  LYS  94           3HZ      LYS  94   9.859  -0.190  11.328
  746    HZ2  LYS  94           1HZ      LYS  94  10.743  -1.574  11.177
  747    HZ3  LYS  94           2HZ      LYS  94  11.417  -0.132  10.813
  748    H    LYS  95           H        LYS  95  11.080  -3.287   4.768
  749    HA   LYS  95           HA       LYS  95  13.736  -2.867   3.884
  750    HB2  LYS  95           2HB      LYS  95  11.926  -5.293   3.859
  751    HB3  LYS  95           3HB      LYS  95  13.552  -5.372   3.173
  752    HG2  LYS  95           2HG      LYS  95  14.596  -4.772   5.258
  753    HG3  LYS  95           3HG      LYS  95  13.055  -4.378   6.006
  754    HD2  LYS  95           2HD      LYS  95  13.811  -6.509   6.839
  755    HD3  LYS  95           3HD      LYS  95  12.358  -6.761   5.860
  756    HE2  LYS  95           2HE      LYS  95  13.764  -7.484   3.946
  757    HE3  LYS  95           3HE      LYS  95  15.227  -7.162   4.885
  758    HZ1  LYS  95           3HZ      LYS  95  14.639  -9.516   4.944
  759    HZ2  LYS  95           1HZ      LYS  95  14.529  -8.897   6.448
  760    HZ3  LYS  95           2HZ      LYS  95  13.173  -9.197   5.583
  761    H    GLN  96           H        GLN  96  10.849  -2.997   1.981
  762    HA   GLN  96           HA       GLN  96  12.337  -3.050  -0.596
  763    HB2  GLN  96           2HB      GLN  96   9.376  -3.058   0.089
  764    HB3  GLN  96           3HB      GLN  96  10.032  -3.059  -1.554
  765    HG2  GLN  96           2HG      GLN  96  11.053  -5.217  -1.271
  766    HG3  GLN  96           3HG      GLN  96  10.724  -5.235   0.462
  767   HE21  GLN  96          2HE2      GLN  96   8.489  -5.406   1.199
  768   HE22  GLN  96          1HE2      GLN  96   7.291  -6.152   0.130
  769    H    LEU  97           H        LEU  97  10.508  -0.819   1.485
  770    HA   LEU  97           HA       LEU  97  11.452   1.503  -0.098
  771    HB2  LEU  97           2HB      LEU  97   9.342   0.780  -1.062
  772    HB3  LEU  97           3HB      LEU  97   8.556   0.794   0.509
  773    HG   LEU  97           HG       LEU  97   8.591   3.202   0.603
  774   HD11  LEU  97          1HD1      LEU  97  10.782   3.748  -0.319
  775   HD12  LEU  97          2HD1      LEU  97  10.310   3.104  -1.908
  776   HD13  LEU  97          3HD1      LEU  97   9.540   4.574  -1.260
  777   HD21  LEU  97          3HD2      LEU  97   7.283   3.730  -1.407
  778   HD22  LEU  97          1HD2      LEU  97   7.885   2.261  -2.204
  779   HD23  LEU  97          2HD2      LEU  97   6.854   2.138  -0.767
  780    HA   PRO  98           HA       PRO  98  11.606   2.203   4.439
  781    HB2  PRO  98           2HB      PRO  98  14.326   2.623   4.730
  782    HB3  PRO  98           3HB      PRO  98  13.527   1.034   4.730
  783    HG2  PRO  98           2HG      PRO  98  15.244   2.222   2.641
  784    HG3  PRO  98           3HG      PRO  98  14.705   0.527   2.849
  785    HD2  PRO  98           2HD      PRO  98  13.631   2.595   1.079
  786    HD3  PRO  98           3HD      PRO  98  13.262   0.851   1.146
  787    H    GLY  99           H        GLY  99  11.884   4.032   5.803
  788    HA2  GLY  99           2HA      GLY  99  11.860   6.658   4.564
  789    HA3  GLY  99           3HA      GLY  99  11.570   6.263   6.259
  790    H    VAL 100           H        VAL 100  13.538   7.859   4.410
  791    HA   VAL 100           HA       VAL 100  16.156   6.908   5.049
  792    HB   VAL 100           HB       VAL 100  15.469   8.120   2.991
  793   HG11  VAL 100          1HG1      VAL 100  15.817  10.666   4.625
  794   HG12  VAL 100          2HG1      VAL 100  15.450  10.534   2.898
  795   HG13  VAL 100          3HG1      VAL 100  14.255  10.012   4.103
  796   HG21  VAL 100          3HG2      VAL 100  17.887   9.353   4.335
  797   HG22  VAL 100          1HG2      VAL 100  17.840   7.725   3.599
  798   HG23  VAL 100          2HG2      VAL 100  17.581   9.166   2.604
  799    H    LYS 101           H        LYS 101  17.684   7.552   6.382
  800    HA   LYS 101           HA       LYS 101  17.204   9.791   8.321
  801    HB2  LYS 101           2HB      LYS 101  18.205   8.544  10.099
  802    HB3  LYS 101           3HB      LYS 101  16.888   7.610   9.395
  803    HG2  LYS 101           2HG      LYS 101  18.575   6.240   8.123
  804    HG3  LYS 101           3HG      LYS 101  19.868   7.192   8.861
  805    HD2  LYS 101           2HD      LYS 101  19.693   5.119  10.047
  806    HD3  LYS 101           3HD      LYS 101  19.136   6.413  11.118
  807    HE2  LYS 101           2HE      LYS 101  16.776   5.828  10.605
  808    HE3  LYS 101           3HE      LYS 101  17.321   4.586   9.471
  809    HZ1  LYS 101           3HZ      LYS 101  18.358   3.423  11.348
  810    HZ2  LYS 101           1HZ      LYS 101  17.853   4.573  12.397
  811    HZ3  LYS 101           2HZ      LYS 101  16.766   3.629  11.630
  812    H    SER 102           H        SER 102  19.149   8.941   5.810
  813    HA   SER 102           HA       SER 102  21.213   9.508   5.046
  814    HB2  SER 102           2HB      SER 102  20.551  12.076   6.514
  815    HB3  SER 102           3HB      SER 102  21.665  11.896   5.143
  816    HG   SER 102           HG       SER 102  19.576  12.584   4.478
  817    H    GLU 103           H        GLU 103  21.542   7.978   7.370
  818    HA   GLU 103           HA       GLU 103  22.899   7.367   9.063
  819    HB2  GLU 103           2HB      GLU 103  24.924   8.830   7.353
  820    HB3  GLU 103           3HB      GLU 103  25.367   7.919   8.801
  821    HG2  GLU 103           2HG      GLU 103  24.482   5.878   7.939
  822    HG3  GLU 103           3HG      GLU 103  23.741   6.688   6.560
  823    H    GLY 104           H        GLY 104  21.645  10.247   9.225
  824    HA2  GLY 104           2HA      GLY 104  23.271  11.757  11.012
  825    HA3  GLY 104           3HA      GLY 104  21.543  11.969  10.707
  826    H    LYS 105           H        LYS 105  21.828   8.842  11.760
  827    HA   LYS 105           HA       LYS 105  21.551   9.583  14.644
  828    HB2  LYS 105           2HB      LYS 105  19.603   8.387  13.597
  829    HB3  LYS 105           3HB      LYS 105  20.658   7.003  13.304
  830    HG2  LYS 105           2HG      LYS 105  19.361   6.574  15.296
  831    HG3  LYS 105           3HG      LYS 105  21.038   6.804  15.776
  832    HD2  LYS 105           2HD      LYS 105  20.386   9.258  16.304
  833    HD3  LYS 105           3HD      LYS 105  18.709   8.748  16.087
  834    HE2  LYS 105           2HE      LYS 105  18.984   7.110  17.930
  835    HE3  LYS 105           3HE      LYS 105  20.709   7.508  18.029
  836    HZ1  LYS 105           3HZ      LYS 105  18.466   9.327  18.683
  837    HZ2  LYS 105           1HZ      LYS 105  19.635   8.789  19.708
  838    HZ3  LYS 105           2HZ      LYS 105  20.014   9.838  18.517
  839    H    ARG 106           H        ARG 106  23.408   7.513  12.455
  840    HA   ARG 106           HA       ARG 106  25.089   6.476  14.636
  841    HB2  ARG 106           2HB      ARG 106  24.721   5.066  12.676
  842    HB3  ARG 106           3HB      ARG 106  25.339   6.321  11.602
  843    HG2  ARG 106           2HG      ARG 106  26.997   4.551  11.917
  844    HG3  ARG 106           3HG      ARG 106  27.595   6.084  12.530
  845    HD2  ARG 106           2HD      ARG 106  26.841   5.260  14.879
  846    HD3  ARG 106           3HD      ARG 106  26.590   3.695  14.122
  847    HE   ARG 106           HE       ARG 106  28.911   3.402  13.926
  848   HH11  ARG 106          1HH2      ARG 106  28.351   6.702  14.991
  849   HH12  ARG 106          2HH2      ARG 106  29.959   6.907  15.604
  850   HH21  ARG 106          1HH1      ARG 106  31.001   3.736  14.657
  851   HH22  ARG 106          2HH1      ARG 106  31.426   5.268  15.371
  852    H    LYS 107           H        LYS 107  25.255   9.119  12.288
  853    HA   LYS 107           HA       LYS 107  27.891   9.996  13.426
  854    HB2  LYS 107           2HB      LYS 107  26.626  10.416  10.691
  855    HB3  LYS 107           3HB      LYS 107  28.111  11.214  11.231
  856    HG2  LYS 107           2HG      LYS 107  29.269   9.101  11.478
  857    HG3  LYS 107           3HG      LYS 107  27.788   8.179  11.174
  858    HD2  LYS 107           2HD      LYS 107  27.664   9.013   8.885
  859    HD3  LYS 107           3HD      LYS 107  29.121  10.003   9.132
  860    HE2  LYS 107           2HE      LYS 107  30.501   8.052   9.462
  861    HE3  LYS 107           3HE      LYS 107  29.089   6.991   9.583
  862    HZ1  LYS 107           3HZ      LYS 107  28.604   7.344   7.285
  863    HZ2  LYS 107           1HZ      LYS 107  29.818   8.445   7.103
  864    HZ3  LYS 107           2HZ      LYS 107  30.164   6.871   7.390
  865    H    GLY 108           H        GLY 108  28.204  12.054  14.081
  866    HA2  GLY 108           2HA      GLY 108  27.741  14.229  14.753
  867    HA3  GLY 108           3HA      GLY 108  26.206  14.174  13.887
  868    H    ASP 109           H        ASP 109  24.735  12.257  15.062
  869    HA   ASP 109           HA       ASP 109  24.193  13.289  17.740
  870    HB2  ASP 109           2HB      ASP 109  22.463  12.818  15.944
  871    HB3  ASP 109           3HB      ASP 109  22.716  11.099  16.248
  872    H    GLU 110           H        GLU 110  26.618  12.182  17.819
  873    HA   GLU 110           HA       GLU 110  26.461   9.446  18.887
  874    HB2  GLU 110           2HB      GLU 110  28.790  11.277  18.192
  875    HB3  GLU 110           3HB      GLU 110  28.994   9.660  18.881
  876    HG2  GLU 110           2HG      GLU 110  27.829   8.642  16.995
  877    HG3  GLU 110           3HG      GLU 110  27.515  10.223  16.276
  878    H    VAL 111           H        VAL 111  26.269  12.510  20.226
  879    HA   VAL 111           HA       VAL 111  27.384  11.785  22.872
  880    HB   VAL 111           HB       VAL 111  26.817  14.085  23.525
  881   HG11  VAL 111          1HG1      VAL 111  28.380  13.977  20.914
  882   HG12  VAL 111          2HG1      VAL 111  28.483  15.223  22.175
  883   HG13  VAL 111          3HG1      VAL 111  29.015  13.570  22.524
  884   HG21  VAL 111          3HG2      VAL 111  25.927  14.507  20.633
  885   HG22  VAL 111          1HG2      VAL 111  24.845  14.462  22.043
  886   HG23  VAL 111          2HG2      VAL 111  26.062  15.737  21.902
  887    H    ASP 112           H        ASP 112  24.634  11.008  21.377
  888    HA   ASP 112           HA       ASP 112  22.591  11.611  23.354
  889    HB2  ASP 112           2HB      ASP 112  22.140  11.507  20.952
  890    HB3  ASP 112           3HB      ASP 112  22.624   9.818  20.904
  Start of MODEL   21
    1    H1   GLY   1           H1       GLY   1  -3.019  22.631  16.114
    2    H2   GLY   1           H2       GLY   1  -4.640  22.490  16.315
    3    H3   GLY   1           H3       GLY   1  -4.041  23.446  15.126
    4    HA2  GLY   1           2HA      GLY   1  -4.876  21.392  14.187
    5    HA3  GLY   1           3HA      GLY   1  -3.126  21.561  13.958
    6    H    SER   2           H        SER   2  -5.294  19.291  14.554
    7    HA   SER   2           HA       SER   2  -3.984  17.968  16.866
    8    HB2  SER   2           2HB      SER   2  -6.601  17.324  15.477
    9    HB3  SER   2           3HB      SER   2  -6.001  16.629  16.997
   10    HG   SER   2           HG       SER   2  -7.477  18.354  17.357
   11    H    LYS   3           H        LYS   3  -3.419  17.790  13.629
   12    HA   LYS   3           HA       LYS   3  -3.471  14.956  13.110
   13    HB2  LYS   3           2HB      LYS   3  -3.530  16.669  11.331
   14    HB3  LYS   3           3HB      LYS   3  -1.893  17.192  11.760
   15    HG2  LYS   3           2HG      LYS   3  -1.034  14.952  11.201
   16    HG3  LYS   3           3HG      LYS   3  -2.666  14.417  10.750
   17    HD2  LYS   3           2HD      LYS   3  -2.650  16.152   8.937
   18    HD3  LYS   3           3HD      LYS   3  -1.000  16.596   9.403
   19    HE2  LYS   3           2HE      LYS   3  -1.942  13.887   8.354
   20    HE3  LYS   3           3HE      LYS   3  -0.978  15.076   7.471
   21    HZ1  LYS   3           3HZ      LYS   3   0.443  13.326   8.395
   22    HZ2  LYS   3           1HZ      LYS   3   0.803  14.749   9.153
   23    HZ3  LYS   3           2HZ      LYS   3  -0.089  13.607   9.902
   24    H    ALA   4           H        ALA   4  -1.949  13.401  13.231
   25    HA   ALA   4           HA       ALA   4   0.689  13.976  14.505
   26    HB1  ALA   4           1HB      ALA   4  -0.695  12.300  15.667
   27    HB2  ALA   4           2HB      ALA   4  -0.793  11.336  14.175
   28    HB3  ALA   4           3HB      ALA   4   0.772  11.574  14.985
   29    H    GLU   5           H        GLU   5   2.598  13.230  13.515
   30    HA   GLU   5           HA       GLU   5   2.468  13.155  10.568
   31    HB2  GLU   5           2HB      GLU   5   4.779  13.509  12.496
   32    HB3  GLU   5           3HB      GLU   5   4.937  13.550  10.740
   33    HG2  GLU   5           2HG      GLU   5   3.184  15.473  12.332
   34    HG3  GLU   5           3HG      GLU   5   4.830  15.799  11.819
   35    H    LYS   6           H        LYS   6   2.020  10.705  12.500
   36    HA   LYS   6           HA       LYS   6   3.979   8.772  11.572
   37    HB2  LYS   6           2HB      LYS   6   1.237   8.245  12.780
   38    HB3  LYS   6           3HB      LYS   6   2.572   7.097  12.587
   39    HG2  LYS   6           2HG      LYS   6   3.944   8.877  13.993
   40    HG3  LYS   6           3HG      LYS   6   2.344   9.436  14.497
   41    HD2  LYS   6           2HD      LYS   6   3.535   6.663  14.822
   42    HD3  LYS   6           3HD      LYS   6   3.269   7.843  16.110
   43    HE2  LYS   6           2HE      LYS   6   0.827   7.627  15.831
   44    HE3  LYS   6           3HE      LYS   6   1.061   6.542  14.451
   45    HZ1  LYS   6           3HZ      LYS   6   0.665   5.236  16.426
   46    HZ2  LYS   6           1HZ      LYS   6   2.225   4.996  15.961
   47    HZ3  LYS   6           2HZ      LYS   6   1.882   5.959  17.241
   48    H    THR   7           H        THR   7   1.086  10.007  10.106
   49    HA   THR   7           HA       THR   7   1.836   8.453   7.669
   50    HB   THR   7           HB       THR   7  -0.926   9.580   8.164
   51    HG1  THR   7           1HG      THR   7  -0.545   7.924   9.641
   52   HG21  THR   7          1HG2      THR   7  -0.336   7.291   6.296
   53   HG22  THR   7          2HG2      THR   7  -1.603   8.548   6.218
   54   HG23  THR   7          3HG2      THR   7   0.034   8.890   5.742
   55    H    LEU   8           H        LEU   8   2.063   9.728   5.762
   56    HA   LEU   8           HA       LEU   8   2.211  12.618   6.068
   57    HB2  LEU   8           2HB      LEU   8   3.029  12.743   3.979
   58    HB3  LEU   8           3HB      LEU   8   3.481  11.102   4.398
   59    HG   LEU   8           HG       LEU   8   1.103  11.932   2.669
   60   HD11  LEU   8          1HD1      LEU   8   2.339  11.085   0.784
   61   HD12  LEU   8          2HD1      LEU   8   3.302  12.329   1.601
   62   HD13  LEU   8          3HD1      LEU   8   3.691  10.610   1.822
   63   HD21  LEU   8          3HD2      LEU   8   2.207   9.191   3.374
   64   HD22  LEU   8          1HD2      LEU   8   0.586   9.788   3.718
   65   HD23  LEU   8          2HD2      LEU   8   1.060   9.485   2.050
   66    H    GLY   9           H        GLY   9  -0.531  10.611   5.506
   67    HA2  GLY   9           2HA      GLY   9  -2.771  11.262   5.492
   68    HA3  GLY   9           3HA      GLY   9  -2.315  12.930   5.171
   69    H    ASP  10           H        ASP  10  -1.472   9.995   3.234
   70    HA   ASP  10           HA       ASP  10  -3.189  10.859   1.011
   71    HB2  ASP  10           2HB      ASP  10  -0.469  11.694   1.138
   72    HB3  ASP  10           3HB      ASP  10  -0.492  10.345   0.005
   73    H    PHE  11           H        PHE  11  -1.213   8.321   2.516
   74    HA   PHE  11           HA       PHE  11  -2.646   6.352   0.881
   75    HB2  PHE  11           2HB      PHE  11  -0.396   5.102   0.556
   76    HB3  PHE  11           3HB      PHE  11  -0.901   6.352  -0.520
   77    HD1  PHE  11           HD2      PHE  11   1.234   6.160   2.635
   78    HD2  PHE  11           HD1      PHE  11   0.684   7.745  -1.338
   79    HE1  PHE  11           HE2      PHE  11   3.523   7.096   2.680
   80    HE2  PHE  11           HE1      PHE  11   2.944   8.747  -1.252
   81    HZ   PHE  11           HZ       PHE  11   4.370   8.409   0.748
   82    H    ALA  12           H        ALA  12  -2.559   4.175   1.633
   83    HA   ALA  12           HA       ALA  12  -2.393   3.931   4.603
   84    HB1  ALA  12           1HB      ALA  12  -4.797   3.291   2.848
   85    HB2  ALA  12           2HB      ALA  12  -4.698   3.112   4.610
   86    HB3  ALA  12           3HB      ALA  12  -4.645   4.729   3.872
   87    H    ALA  13           H        ALA  13  -2.504   1.757   5.439
   88    HA   ALA  13           HA       ALA  13  -2.042  -0.478   3.515
   89    HB1  ALA  13           1HB      ALA  13  -0.412   0.183   6.012
   90    HB2  ALA  13           2HB      ALA  13  -0.152  -1.186   4.895
   91    HB3  ALA  13           3HB      ALA  13   0.093   0.483   4.337
   92    H    GLU  14           H        GLU  14  -2.910  -2.446   4.112
   93    HA   GLU  14           HA       GLU  14  -4.195  -2.993   6.675
   94    HB2  GLU  14           2HB      GLU  14  -5.709  -1.321   5.679
   95    HB3  GLU  14           3HB      GLU  14  -5.724  -2.189   4.156
   96    HG2  GLU  14           2HG      GLU  14  -7.812  -2.362   5.361
   97    HG3  GLU  14           3HG      GLU  14  -7.097  -3.921   5.066
   98    H    TYR  15           H        TYR  15  -5.484  -5.152   6.358
   99    HA   TYR  15           HA       TYR  15  -4.202  -6.910   4.286
  100    HB2  TYR  15           2HB      TYR  15  -5.709  -7.619   6.804
  101    HB3  TYR  15           3HB      TYR  15  -5.119  -8.770   5.612
  102    HD1  TYR  15           HD1      TYR  15  -2.672  -9.104   5.244
  103    HD2  TYR  15           HD2      TYR  15  -4.155  -6.484   8.325
  104    HE1  TYR  15           HE1      TYR  15  -0.440  -9.173   6.374
  105    HE2  TYR  15           HE2      TYR  15  -1.961  -6.632   9.492
  106    HH   TYR  15           HH       TYR  15   0.799  -8.464   8.099
  107    H    ALA  16           H        ALA  16  -5.329  -8.076   2.830
  108    HA   ALA  16           HA       ALA  16  -7.877  -7.116   1.902
  109    HB1  ALA  16           1HB      ALA  16  -6.251  -9.575   1.297
  110    HB2  ALA  16           2HB      ALA  16  -7.625  -8.995   0.317
  111    HB3  ALA  16           3HB      ALA  16  -6.145  -8.015   0.461
  112    H    LYS  17           H        LYS  17  -9.667  -7.366   3.146
  113    HA   LYS  17           HA       LYS  17 -10.067  -9.652   4.917
  114    HB2  LYS  17           2HB      LYS  17 -12.055  -7.465   4.207
  115    HB3  LYS  17           3HB      LYS  17 -12.079  -8.508   5.624
  116    HG2  LYS  17           2HG      LYS  17 -10.053  -6.320   5.017
  117    HG3  LYS  17           3HG      LYS  17 -11.361  -6.250   6.188
  118    HD2  LYS  17           2HD      LYS  17 -10.284  -7.952   7.590
  119    HD3  LYS  17           3HD      LYS  17  -9.043  -8.225   6.359
  120    HE2  LYS  17           2HE      LYS  17  -8.052  -6.847   8.042
  121    HE3  LYS  17           3HE      LYS  17  -8.263  -5.896   6.577
  122    HZ1  LYS  17           3HZ      LYS  17  -8.967  -4.545   8.357
  123    HZ2  LYS  17           1HZ      LYS  17 -10.360  -5.019   7.669
  124    HZ3  LYS  17           2HZ      LYS  17  -9.873  -5.727   9.062
  125    H    SER  18           H        SER  18 -10.857  -9.112   1.650
  126    HA   SER  18           HA       SER  18 -12.090 -11.760   1.479
  127    HB2  SER  18           2HB      SER  18 -14.009 -10.100   1.744
  128    HB3  SER  18           3HB      SER  18 -13.528  -9.425   0.169
  129    HG   SER  18           HG       SER  18 -15.158 -11.152   0.131
  130    H    ASN  19           H        ASN  19 -12.127 -12.526  -0.775
  131    HA   ASN  19           HA       ASN  19  -9.680 -11.676  -2.160
  132    HB2  ASN  19           2HB      ASN  19 -10.585 -14.111  -1.534
  133    HB3  ASN  19           3HB      ASN  19 -11.408 -13.983  -3.074
  134   HD21  ASN  19          2HD2      ASN  19  -8.690 -15.252  -1.724
  135   HD22  ASN  19          1HD2      ASN  19  -7.568 -15.037  -3.075
  136    H    ARG  20           H        ARG  20 -11.498  -9.683  -2.319
  137    HA   ARG  20           HA       ARG  20 -12.784  -9.762  -5.037
  138    HB2  ARG  20           2HB      ARG  20 -13.945  -8.754  -2.408
  139    HB3  ARG  20           3HB      ARG  20 -14.732  -8.615  -3.976
  140    HG2  ARG  20           2HG      ARG  20 -14.078 -11.243  -2.574
  141    HG3  ARG  20           3HG      ARG  20 -15.653 -10.447  -2.625
  142    HD2  ARG  20           2HD      ARG  20 -15.680 -10.668  -5.100
  143    HD3  ARG  20           3HD      ARG  20 -14.126 -11.524  -5.029
  144    HE   ARG  20           HE       ARG  20 -15.967 -12.824  -3.284
  145   HH11  ARG  20          1HH2      ARG  20 -15.470 -12.452  -6.732
  146   HH12  ARG  20          2HH2      ARG  20 -16.256 -13.963  -7.102
  147   HH21  ARG  20          1HH1      ARG  20 -16.958 -14.739  -3.825
  148   HH22  ARG  20          2HH1      ARG  20 -17.073 -15.219  -5.492
  149    H    SER  21           H        SER  21 -10.770  -7.855  -3.004
  150    HA   SER  21           HA       SER  21 -11.283  -5.323  -4.414
  151    HB2  SER  21           2HB      SER  21  -9.224  -4.593  -3.172
  152    HB3  SER  21           3HB      SER  21 -10.575  -5.124  -2.157
  153    HG   SER  21           HG       SER  21  -8.656  -6.051  -1.416
  154    H    THR  22           H        THR  22  -9.361  -4.263  -5.603
  155    HA   THR  22           HA       THR  22  -7.863  -6.241  -7.250
  156    HB   THR  22           HB       THR  22  -9.642  -4.061  -8.344
  157    HG1  THR  22           1HG      THR  22 -10.851  -5.770  -9.165
  158   HG21  THR  22          1HG2      THR  22  -9.155  -5.004 -10.571
  159   HG22  THR  22          2HG2      THR  22  -7.669  -4.427  -9.813
  160   HG23  THR  22          3HG2      THR  22  -8.032  -6.167  -9.845
  161    H    CYS  23           HN       CYS  23  -5.913  -5.645  -7.812
  162    HA   CYS  23           HA       CYS  23  -4.781  -3.225  -6.737
  163    HB2  CYS  23           2HB      CYS  23  -3.525  -5.216  -6.589
  164    HB3  CYS  23           3HB      CYS  23  -3.848  -5.619  -8.275
  165    H    LYS  24           H        LYS  24  -5.065  -1.378  -7.729
  166    HA   LYS  24           HA       LYS  24  -5.533  -1.012 -10.582
  167    HB2  LYS  24           2HB      LYS  24  -4.886   0.963  -8.367
  168    HB3  LYS  24           3HB      LYS  24  -5.581   1.360  -9.948
  169    HG2  LYS  24           2HG      LYS  24  -6.923  -0.231  -7.712
  170    HG3  LYS  24           3HG      LYS  24  -7.307   1.400  -8.223
  171    HD2  LYS  24           2HD      LYS  24  -8.025   0.544 -10.449
  172    HD3  LYS  24           3HD      LYS  24  -7.724  -1.118  -9.876
  173    HE2  LYS  24           2HE      LYS  24  -9.342  -0.820  -8.052
  174    HE3  LYS  24           3HE      LYS  24  -9.615   0.859  -8.533
  175    HZ1  LYS  24           3HZ      LYS  24 -10.510   0.050 -10.649
  176    HZ2  LYS  24           1HZ      LYS  24 -10.264  -1.508 -10.215
  177    HZ3  LYS  24           2HZ      LYS  24 -11.348  -0.594  -9.409
  178    H    GLY  25           H        GLY  25  -2.699  -1.620  -8.849
  179    HA2  GLY  25           2HA      GLY  25  -0.832  -0.097 -10.522
  180    HA3  GLY  25           3HA      GLY  25  -0.441  -1.347  -9.342
  181    H    CYS  26           HN       CYS  26  -2.156  -3.379 -10.639
  182    HA   CYS  26           HA       CYS  26  -0.890  -3.668 -13.315
  183    HB2  CYS  26           2HB      CYS  26  -0.253  -5.929 -12.976
  184    HB3  CYS  26           3HB      CYS  26   0.473  -4.945 -11.706
  185    H    MET  27           H        MET  27  -3.799  -3.642 -11.740
  186    HA   MET  27           HA       MET  27  -5.894  -4.098 -12.276
  187    HB2  MET  27           2HB      MET  27  -5.074  -3.131 -14.547
  188    HB3  MET  27           3HB      MET  27  -5.173  -4.791 -15.120
  189    HG2  MET  27           2HG      MET  27  -7.294  -4.246 -15.623
  190    HG3  MET  27           3HG      MET  27  -7.625  -4.569 -13.929
  191    HE1  MET  27           3HE      MET  27  -7.614  -2.500 -12.050
  192    HE2  MET  27           1HE      MET  27  -6.106  -1.799 -12.692
  193    HE3  MET  27           2HE      MET  27  -7.550  -0.785 -12.522
  194    H    GLU  28           H        GLU  28  -4.807  -6.016 -10.834
  195    HA   GLU  28           HA       GLU  28  -6.250  -8.429 -11.794
  196    HB2  GLU  28           2HB      GLU  28  -3.455  -8.567 -10.600
  197    HB3  GLU  28           3HB      GLU  28  -4.538  -9.931 -10.902
  198    HG2  GLU  28           2HG      GLU  28  -4.566  -9.255 -13.348
  199    HG3  GLU  28           3HG      GLU  28  -3.243  -8.142 -12.987
  200    H    LYS  29           H        LYS  29  -7.036  -9.792 -10.094
  201    HA   LYS  29           HA       LYS  29  -7.955  -8.148  -7.926
  202    HB2  LYS  29           2HB      LYS  29  -9.358  -9.981  -7.256
  203    HB3  LYS  29           3HB      LYS  29  -9.476  -9.607  -8.960
  204    HG2  LYS  29           2HG      LYS  29  -9.566 -11.886  -8.981
  205    HG3  LYS  29           3HG      LYS  29  -7.865 -11.620  -9.357
  206    HD2  LYS  29           2HD      LYS  29  -7.245 -12.193  -7.041
  207    HD3  LYS  29           3HD      LYS  29  -8.954 -12.230  -6.570
  208    HE2  LYS  29           2HE      LYS  29  -9.355 -14.122  -8.078
  209    HE3  LYS  29           3HE      LYS  29  -7.678 -14.064  -8.647
  210    HZ1  LYS  29           3HZ      LYS  29  -8.411 -14.510  -5.812
  211    HZ2  LYS  29           1HZ      LYS  29  -8.075 -15.740  -6.861
  212    HZ3  LYS  29           2HZ      LYS  29  -6.921 -14.646  -6.456
  213    H    ILE  30           H        ILE  30  -7.525  -8.068  -5.856
  214    HA   ILE  30           HA       ILE  30  -4.955  -9.111  -4.961
  215    HB   ILE  30           HB       ILE  30  -7.036  -7.261  -3.792
  216   HG12  ILE  30          2HG1      ILE  30  -4.115  -6.741  -4.509
  217   HG13  ILE  30          3HG1      ILE  30  -5.402  -6.597  -5.693
  218   HG21  ILE  30          1HG2      ILE  30  -6.026  -8.483  -1.882
  219   HG22  ILE  30          2HG2      ILE  30  -4.404  -8.036  -2.474
  220   HG23  ILE  30          3HG2      ILE  30  -5.545  -6.797  -1.910
  221   HD11  ILE  30          3HD1      ILE  30  -6.504  -4.855  -4.337
  222   HD12  ILE  30          1HD1      ILE  30  -5.162  -4.932  -3.161
  223   HD13  ILE  30          2HD1      ILE  30  -4.859  -4.423  -4.828
  224    H    GLU  31           H        GLU  31  -4.528 -10.707  -3.539
  225    HA   GLU  31           HA       GLU  31  -6.569 -12.716  -3.046
  226    HB2  GLU  31           2HB      GLU  31  -3.654 -12.529  -2.184
  227    HB3  GLU  31           3HB      GLU  31  -4.682 -13.932  -1.929
  228    HG2  GLU  31           2HG      GLU  31  -3.796 -12.784  -4.600
  229    HG3  GLU  31           3HG      GLU  31  -3.202 -14.252  -3.829
  230    H    LYS  32           H        LYS  32  -7.458 -13.340  -1.174
  231    HA   LYS  32           HA       LYS  32  -7.751 -11.522   1.050
  232    HB2  LYS  32           2HB      LYS  32  -9.456 -13.181   0.306
  233    HB3  LYS  32           3HB      LYS  32  -8.420 -14.491   0.882
  234    HG2  LYS  32           2HG      LYS  32  -8.607 -13.587   3.205
  235    HG3  LYS  32           3HG      LYS  32  -9.637 -12.275   2.598
  236    HD2  LYS  32           2HD      LYS  32 -11.296 -13.957   1.842
  237    HD3  LYS  32           3HD      LYS  32 -10.230 -15.257   2.425
  238    HE2  LYS  32           2HE      LYS  32 -10.381 -14.363   4.730
  239    HE3  LYS  32           3HE      LYS  32 -11.427 -13.055   4.168
  240    HZ1  LYS  32           3HZ      LYS  32 -12.719 -14.883   5.102
  241    HZ2  LYS  32           1HZ      LYS  32 -13.071 -14.733   3.517
  242    HZ3  LYS  32           2HZ      LYS  32 -12.102 -15.947   4.032
  243    H    GLY  33           H        GLY  33  -6.993 -11.603   3.145
  244    HA2  GLY  33           2HA      GLY  33  -5.800 -12.260   4.998
  245    HA3  GLY  33           3HA      GLY  33  -5.442 -13.794   4.203
  246    H    GLN  34           H        GLN  34  -4.391 -11.175   2.316
  247    HA   GLN  34           HA       GLN  34  -1.736 -10.959   3.608
  248    HB2  GLN  34           2HB      GLN  34  -0.559 -11.149   1.512
  249    HB3  GLN  34           3HB      GLN  34  -1.454 -12.604   1.888
  250    HG2  GLN  34           2HG      GLN  34  -1.686 -12.307  -0.444
  251    HG3  GLN  34           3HG      GLN  34  -3.239 -11.868   0.237
  252   HE21  GLN  34          1HE2      GLN  34  -4.037  -9.772  -0.316
  253   HE22  GLN  34          2HE2      GLN  34  -2.942  -8.462  -0.795
  254    H    VAL  35           H        VAL  35  -0.493  -9.041   2.565
  255    HA   VAL  35           HA       VAL  35  -1.986  -6.783   3.452
  256    HB   VAL  35           HB       VAL  35   0.725  -7.002   2.118
  257   HG11  VAL  35          1HG1      VAL  35  -0.504  -4.570   3.494
  258   HG12  VAL  35          2HG1      VAL  35   1.214  -4.756   3.087
  259   HG13  VAL  35          3HG1      VAL  35   0.027  -4.685   1.796
  260   HG21  VAL  35          3HG2      VAL  35  -0.099  -6.580   5.025
  261   HG22  VAL  35          1HG2      VAL  35   0.542  -8.089   4.337
  262   HG23  VAL  35          2HG2      VAL  35   1.564  -6.655   4.406
  263    H    ARG  36           H        ARG  36  -2.719  -4.961   2.496
  264    HA   ARG  36           HA       ARG  36  -2.500  -4.560  -0.418
  265    HB2  ARG  36           2HB      ARG  36  -4.845  -3.832  -0.590
  266    HB3  ARG  36           3HB      ARG  36  -4.673  -5.551  -0.243
  267    HG2  ARG  36           2HG      ARG  36  -5.270  -5.235   2.087
  268    HG3  ARG  36           3HG      ARG  36  -5.306  -3.480   1.904
  269    HD2  ARG  36           2HD      ARG  36  -7.153  -3.655   0.300
  270    HD3  ARG  36           3HD      ARG  36  -7.132  -5.419   0.443
  271    HE   ARG  36           HE       ARG  36  -7.525  -4.910   2.991
  272   HH11  ARG  36          1HH2      ARG  36  -9.011  -3.021   0.432
  273   HH12  ARG  36          2HH2      ARG  36 -10.427  -2.697   1.389
  274   HH21  ARG  36          1HH1      ARG  36  -9.277  -4.378   4.158
  275   HH22  ARG  36          2HH1      ARG  36 -10.563  -3.432   3.460
  276    H    LEU  37           H        LEU  37  -2.126  -2.466  -0.956
  277    HA   LEU  37           HA       LEU  37  -2.168  -0.413   1.212
  278    HB2  LEU  37           2HB      LEU  37  -0.405  -0.326  -1.250
  279    HB3  LEU  37           3HB      LEU  37  -0.394   0.711   0.206
  280    HG   LEU  37           HG       LEU  37   1.525  -0.493   0.335
  281   HD11  LEU  37          1HD1      LEU  37   0.186  -0.383   2.388
  282   HD12  LEU  37          2HD1      LEU  37  -0.323  -2.063   2.147
  283   HD13  LEU  37          3HD1      LEU  37   1.394  -1.683   2.383
  284   HD21  LEU  37          3HD2      LEU  37   0.094  -3.159  -0.025
  285   HD22  LEU  37          1HD2      LEU  37   1.010  -2.312  -1.286
  286   HD23  LEU  37          2HD2      LEU  37   1.823  -2.861   0.195
  287    H    SER  38           H        SER  38  -2.829   1.730   0.594
  288    HA   SER  38           HA       SER  38  -4.220   1.964  -2.017
  289    HB2  SER  38           2HB      SER  38  -5.975   1.494  -0.423
  290    HB3  SER  38           3HB      SER  38  -5.382   2.767   0.660
  291    HG   SER  38           HG       SER  38  -7.125   3.497  -0.549
  292    H    LYS  39           H        LYS  39  -4.297   4.008  -2.898
  293    HA   LYS  39           HA       LYS  39  -2.930   6.293  -1.490
  294    HB2  LYS  39           2HB      LYS  39  -1.545   5.604  -3.391
  295    HB3  LYS  39           3HB      LYS  39  -2.968   5.533  -4.422
  296    HG2  LYS  39           2HG      LYS  39  -2.049   7.436  -5.162
  297    HG3  LYS  39           3HG      LYS  39  -3.196   8.097  -4.012
  298    HD2  LYS  39           2HD      LYS  39  -1.411   8.540  -2.413
  299    HD3  LYS  39           3HD      LYS  39  -0.230   7.715  -3.474
  300    HE2  LYS  39           2HE      LYS  39  -0.700   9.309  -5.291
  301    HE3  LYS  39           3HE      LYS  39  -1.920  10.120  -4.292
  302    HZ1  LYS  39           3HZ      LYS  39   0.231  11.269  -4.320
  303    HZ2  LYS  39           1HZ      LYS  39  -0.238  10.874  -2.819
  304    HZ3  LYS  39           2HZ      LYS  39   0.958   9.995  -3.599
  305    H    LYS  40           H        LYS  40  -4.227   8.022  -1.172
  306    HA   LYS  40           HA       LYS  40  -6.871   8.199  -2.518
  307    HB2  LYS  40           2HB      LYS  40  -6.984   8.553  -0.214
  308    HB3  LYS  40           3HB      LYS  40  -5.629   9.647  -0.177
  309    HG2  LYS  40           2HG      LYS  40  -8.225  10.268  -1.716
  310    HG3  LYS  40           3HG      LYS  40  -8.064  10.565   0.008
  311    HD2  LYS  40           2HD      LYS  40  -6.635  11.962  -2.246
  312    HD3  LYS  40           3HD      LYS  40  -7.685  12.644  -1.009
  313    HE2  LYS  40           2HE      LYS  40  -5.940  12.160   0.722
  314    HE3  LYS  40           3HE      LYS  40  -4.913  11.469  -0.545
  315    HZ1  LYS  40           3HZ      LYS  40  -4.152  13.602  -0.270
  316    HZ2  LYS  40           1HZ      LYS  40  -4.999  13.687  -1.642
  317    HZ3  LYS  40           2HZ      LYS  40  -5.652  14.309  -0.263
  318    H    MET  41           H        MET  41  -6.828   9.014  -4.526
  319    HA   MET  41           HA       MET  41  -5.728  11.654  -4.973
  320    HB2  MET  41           2HB      MET  41  -4.225  11.213  -6.787
  321    HB3  MET  41           3HB      MET  41  -3.646  10.450  -5.318
  322    HG2  MET  41           2HG      MET  41  -4.464   8.261  -6.111
  323    HG3  MET  41           3HG      MET  41  -5.113   9.025  -7.567
  324    HE1  MET  41           3HE      MET  41  -2.294   6.974  -9.075
  325    HE2  MET  41           1HE      MET  41  -3.264   6.545  -7.641
  326    HE3  MET  41           2HE      MET  41  -4.034   7.377  -9.011
  327    H    VAL  42           H        VAL  42  -6.618  12.693  -6.825
  328    HA   VAL  42           HA       VAL  42  -8.843  11.577  -8.145
  329    HB   VAL  42           HB       VAL  42  -8.523  13.947  -8.047
  330   HG11  VAL  42          1HG1      VAL  42  -6.184  13.664  -9.975
  331   HG12  VAL  42          2HG1      VAL  42  -6.911  15.173  -9.395
  332   HG13  VAL  42          3HG1      VAL  42  -6.056  14.121  -8.262
  333   HG21  VAL  42          3HG2      VAL  42  -9.862  12.988  -9.883
  334   HG22  VAL  42          1HG2      VAL  42  -9.140  14.554 -10.285
  335   HG23  VAL  42          2HG2      VAL  42  -8.424  13.065 -10.937
  336    H    ASP  43           H        ASP  43  -9.113  10.254  -9.853
  337    HA   ASP  43           HA       ASP  43  -6.862   8.662 -10.658
  338    HB2  ASP  43           2HB      ASP  43  -9.153   7.776 -10.389
  339    HB3  ASP  43           3HB      ASP  43  -9.668   8.702 -11.804
  340    HA   PRO  44           HA       PRO  44  -5.556  11.277 -13.955
  341    HB2  PRO  44           2HB      PRO  44  -3.602   9.728 -15.131
  342    HB3  PRO  44           3HB      PRO  44  -3.431  10.461 -13.508
  343    HG2  PRO  44           2HG      PRO  44  -4.362   7.642 -14.179
  344    HG3  PRO  44           3HG      PRO  44  -3.087   8.136 -13.011
  345    HD2  PRO  44           2HD      PRO  44  -5.595   7.600 -12.202
  346    HD3  PRO  44           3HD      PRO  44  -4.679   8.961 -11.485
  347    H    GLU  45           H        GLU  45  -7.186   8.313 -14.682
  348    HA   GLU  45           HA       GLU  45  -7.466   9.092 -17.572
  349    HB2  GLU  45           2HB      GLU  45  -7.982   6.430 -16.196
  350    HB3  GLU  45           3HB      GLU  45  -8.305   6.794 -17.893
  351    HG2  GLU  45           2HG      GLU  45  -5.878   7.326 -18.219
  352    HG3  GLU  45           3HG      GLU  45  -5.564   6.822 -16.557
  353    H    LYS  46           H        LYS  46  -9.031   9.206 -14.581
  354    HA   LYS  46           HA       LYS  46 -11.664   9.903 -15.777
  355    HB2  LYS  46           2HB      LYS  46 -11.232   7.766 -13.652
  356    HB3  LYS  46           3HB      LYS  46 -12.796   8.510 -14.017
  357    HG2  LYS  46           2HG      LYS  46 -12.611   7.715 -16.370
  358    HG3  LYS  46           3HG      LYS  46 -11.157   6.798 -15.922
  359    HD2  LYS  46           2HD      LYS  46 -13.846   6.524 -14.520
  360    HD3  LYS  46           3HD      LYS  46 -13.344   5.511 -15.891
  361    HE2  LYS  46           2HE      LYS  46 -11.346   4.766 -14.589
  362    HE3  LYS  46           3HE      LYS  46 -11.903   5.715 -13.206
  363    HZ1  LYS  46           3HZ      LYS  46 -12.595   3.394 -13.015
  364    HZ2  LYS  46           1HZ      LYS  46 -13.925   4.330 -13.171
  365    HZ3  LYS  46           2HZ      LYS  46 -13.388   3.451 -14.439
  366    HA   PRO  47           HA       PRO  47 -10.190  12.520 -12.174
  367    HB2  PRO  47           2HB      PRO  47 -10.134  15.006 -13.379
  368    HB3  PRO  47           3HB      PRO  47  -8.753  13.875 -13.309
  369    HG2  PRO  47           2HG      PRO  47 -10.757  14.227 -15.569
  370    HG3  PRO  47           3HG      PRO  47  -8.965  14.150 -15.678
  371    HD2  PRO  47           2HD      PRO  47 -10.494  11.978 -16.180
  372    HD3  PRO  47           3HD      PRO  47  -8.944  11.831 -15.297
  373    H    GLN  48           H        GLN  48 -12.873  12.519 -14.333
  374    HA   GLN  48           HA       GLN  48 -14.682  14.323 -13.070
  375    HB2  GLN  48           2HB      GLN  48 -15.259  11.673 -14.481
  376    HB3  GLN  48           3HB      GLN  48 -16.420  12.936 -14.105
  377    HG2  GLN  48           2HG      GLN  48 -15.996  13.305 -16.347
  378    HG3  GLN  48           3HG      GLN  48 -15.008  14.523 -15.554
  379   HE21  GLN  48          2HE2      GLN  48 -14.138  14.314 -17.967
  380   HE22  GLN  48          1HE2      GLN  48 -12.799  13.189 -18.149
  381    H    LEU  49           H        LEU  49 -13.550  11.112 -12.034
  382    HA   LEU  49           HA       LEU  49 -15.500  10.524 -10.017
  383    HB2  LEU  49           2HB      LEU  49 -12.497  10.077 -10.327
  384    HB3  LEU  49           3HB      LEU  49 -13.344   9.501  -8.915
  385    HG   LEU  49           HG       LEU  49 -14.187   8.633 -11.702
  386   HD11  LEU  49          1HD1      LEU  49 -11.856   8.036 -11.372
  387   HD12  LEU  49          2HD1      LEU  49 -12.179   7.443  -9.743
  388   HD13  LEU  49          3HD1      LEU  49 -12.844   6.574 -11.155
  389   HD21  LEU  49          3HD2      LEU  49 -15.836   8.307  -9.873
  390   HD22  LEU  49          1HD2      LEU  49 -15.162   6.750 -10.384
  391   HD23  LEU  49          2HD2      LEU  49 -14.594   7.521  -8.881
  392    H    GLY  50           H        GLY  50 -12.867  12.900 -10.040
  393    HA2  GLY  50           2HA      GLY  50 -11.829  14.098  -8.340
  394    HA3  GLY  50           3HA      GLY  50 -13.101  13.625  -7.207
  395    H    MET  51           H        MET  51 -11.460  13.113  -5.716
  396    HA   MET  51           HA       MET  51  -9.324  11.337  -6.114
  397    HB2  MET  51           2HB      MET  51 -10.378  12.045  -3.382
  398    HB3  MET  51           3HB      MET  51  -8.721  11.790  -3.921
  399    HG2  MET  51           2HG      MET  51  -9.221  13.946  -5.420
  400    HG3  MET  51           3HG      MET  51 -10.530  14.192  -4.266
  401    HE1  MET  51           3HE      MET  51  -6.016  14.583  -3.692
  402    HE2  MET  51           1HE      MET  51  -6.828  13.119  -4.313
  403    HE3  MET  51           2HE      MET  51  -6.951  14.640  -5.210
  404    H    ILE  52           H        ILE  52  -9.115   9.161  -5.838
  405    HA   ILE  52           HA       ILE  52 -11.318   7.726  -4.427
  406    HB   ILE  52           HB       ILE  52 -10.830   5.784  -5.927
  407   HG12  ILE  52          2HG1      ILE  52  -9.591   7.770  -7.873
  408   HG13  ILE  52          3HG1      ILE  52  -8.595   6.812  -6.771
  409   HG21  ILE  52          1HG2      ILE  52 -12.812   7.237  -6.108
  410   HG22  ILE  52          2HG2      ILE  52 -11.960   8.232  -7.314
  411   HG23  ILE  52          3HG2      ILE  52 -12.335   6.521  -7.649
  412   HD11  ILE  52          3HD1      ILE  52  -9.565   4.731  -7.639
  413   HD12  ILE  52          1HD1      ILE  52 -10.516   5.664  -8.825
  414   HD13  ILE  52          2HD1      ILE  52  -8.744   5.682  -8.899
  415    H    ASP  53           H        ASP  53 -10.801   5.696  -3.585
  416    HA   ASP  53           HA       ASP  53  -8.158   5.592  -2.225
  417    HB2  ASP  53           2HB      ASP  53 -10.779   4.106  -1.756
  418    HB3  ASP  53           3HB      ASP  53  -9.280   3.779  -0.892
  419    H    ARG  54           H        ARG  54  -6.901   4.970  -3.880
  420    HA   ARG  54           HA       ARG  54  -7.674   2.842  -5.777
  421    HB2  ARG  54           2HB      ARG  54  -6.462   5.279  -6.043
  422    HB3  ARG  54           3HB      ARG  54  -5.035   4.242  -5.976
  423    HG2  ARG  54           2HG      ARG  54  -5.677   3.057  -7.922
  424    HG3  ARG  54           3HG      ARG  54  -7.337   3.714  -7.884
  425    HD2  ARG  54           2HD      ARG  54  -6.395   5.999  -8.225
  426    HD3  ARG  54           3HD      ARG  54  -4.786   5.279  -8.373
  427    HE   ARG  54           HE       ARG  54  -6.935   5.308 -10.367
  428   HH11  ARG  54          1HH2      ARG  54  -3.857   3.706  -9.619
  429   HH12  ARG  54          2HH2      ARG  54  -3.678   3.233 -11.286
  430   HH21  ARG  54          1HH1      ARG  54  -6.602   4.798 -12.292
  431   HH22  ARG  54          2HH1      ARG  54  -5.208   3.853 -12.825
  432    H    TRP  55           H        TRP  55  -7.302   0.785  -5.136
  433    HA   TRP  55           HA       TRP  55  -5.244   0.202  -3.162
  434    HB2  TRP  55           2HB      TRP  55  -7.335  -1.538  -4.478
  435    HB3  TRP  55           3HB      TRP  55  -6.179  -2.120  -3.287
  436    HD1  TRP  55           HD1      TRP  55  -9.396  -0.182  -3.571
  437    HE1  TRP  55           HE1      TRP  55 -10.284   0.453  -1.254
  438    HE3  TRP  55           HE3      TRP  55  -5.349  -1.552  -0.745
  439    HZ2  TRP  55           HZ2      TRP  55  -9.333   0.447   1.473
  440    HZ3  TRP  55           HZ3      TRP  55  -5.341  -1.155   1.710
  441    HH2  TRP  55           HH2      TRP  55  -7.326  -0.173   2.828
  442    H    TYR  56           H        TYR  56  -3.636  -1.338  -3.287
  443    HA   TYR  56           HA       TYR  56  -2.564  -2.260  -5.888
  444    HB2  TYR  56           2HB      TYR  56  -1.078  -0.657  -3.758
  445    HB3  TYR  56           3HB      TYR  56  -0.347  -1.377  -5.188
  446    HD1  TYR  56           HD2      TYR  56  -1.039  -0.594  -7.457
  447    HD2  TYR  56           HD1      TYR  56  -2.146   1.513  -3.886
  448    HE1  TYR  56           HE2      TYR  56  -1.691   1.411  -8.841
  449    HE2  TYR  56           HE1      TYR  56  -2.812   3.477  -5.248
  450    HH   TYR  56           HH       TYR  56  -2.977   4.366  -7.324
  451    H    HIS  57           H        HIS  57  -1.076  -3.907  -5.738
  452    HA   HIS  57           HA       HIS  57  -1.111  -5.787  -3.489
  453    HB2  HIS  57           2HB      HIS  57   0.564  -5.656  -6.002
  454    HB3  HIS  57           3HB      HIS  57   0.800  -6.886  -4.799
  455    HD2  HIS  57           HD2      HIS  57  -1.609  -8.354  -4.173
  456    HE1  HIS  57           HE1      HIS  57  -2.921  -8.221  -8.216
  457    HE2  HIS  57           HE2      HIS  57  -3.182  -9.422  -6.010
  458    HA   PRO  58           HA       PRO  58   2.561  -4.178  -1.352
  459    HB2  PRO  58           2HB      PRO  58   3.747  -6.457  -0.392
  460    HB3  PRO  58           3HB      PRO  58   2.245  -5.752   0.282
  461    HG2  PRO  58           2HG      PRO  58   2.498  -7.992  -1.752
  462    HG3  PRO  58           3HG      PRO  58   1.508  -7.963  -0.256
  463    HD2  PRO  58           2HD      PRO  58   0.406  -7.391  -2.646
  464    HD3  PRO  58           3HD      PRO  58  -0.037  -6.438  -1.206
  465    H    GLY  59           H        GLY  59   2.905  -6.348  -4.065
  466    HA2  GLY  59           2HA      GLY  59   5.761  -5.667  -4.494
  467    HA3  GLY  59           3HA      GLY  59   4.711  -6.598  -5.564
  468    H    CYS  60           HN       CYS  60   2.585  -4.912  -6.061
  469    HA   CYS  60           HA       CYS  60   3.705  -3.305  -8.063
  470    HB2  CYS  60           2HB      CYS  60   0.858  -3.339  -7.005
  471    HB3  CYS  60           3HB      CYS  60   1.376  -2.757  -8.595
  472    H    PHE  61           H        PHE  61   2.309  -2.286  -4.897
  473    HA   PHE  61           HA       PHE  61   2.281   0.491  -5.556
  474    HB2  PHE  61           2HB      PHE  61   1.583   0.846  -3.478
  475    HB3  PHE  61           3HB      PHE  61   1.364  -0.894  -3.450
  476    HD1  PHE  61           HD2      PHE  61   3.287  -2.328  -2.539
  477    HD2  PHE  61           HD1      PHE  61   3.081   1.926  -2.015
  478    HE1  PHE  61           HE2      PHE  61   4.839  -2.504  -0.586
  479    HE2  PHE  61           HE1      PHE  61   4.599   1.767  -0.033
  480    HZ   PHE  61           HZ       PHE  61   5.470  -0.454   0.682
  481    H    VAL  62           H        VAL  62   4.944  -1.583  -4.500
  482    HA   VAL  62           HA       VAL  62   6.982   0.442  -4.271
  483    HB   VAL  62           HB       VAL  62   7.449  -2.397  -5.230
  484   HG11  VAL  62          1HG1      VAL  62   9.186  -0.473  -3.644
  485   HG12  VAL  62          2HG1      VAL  62   9.603  -2.143  -4.074
  486   HG13  VAL  62          3HG1      VAL  62   9.405  -0.937  -5.346
  487   HG21  VAL  62          3HG2      VAL  62   6.075  -2.586  -3.218
  488   HG22  VAL  62          1HG2      VAL  62   7.725  -3.077  -2.890
  489   HG23  VAL  62          2HG2      VAL  62   7.148  -1.482  -2.347
  490    H    LYS  63           H        LYS  63   5.830  -1.512  -7.031
  491    HA   LYS  63           HA       LYS  63   7.754  -0.648  -8.939
  492    HB2  LYS  63           2HB      LYS  63   6.381  -2.655  -9.218
  493    HB3  LYS  63           3HB      LYS  63   4.908  -1.692  -9.247
  494    HG2  LYS  63           2HG      LYS  63   5.592  -0.646 -11.383
  495    HG3  LYS  63           3HG      LYS  63   7.077  -1.604 -11.359
  496    HD2  LYS  63           2HD      LYS  63   5.435  -2.631 -12.839
  497    HD3  LYS  63           3HD      LYS  63   5.765  -3.681 -11.471
  498    HE2  LYS  63           2HE      LYS  63   3.409  -3.735 -11.999
  499    HE3  LYS  63           3HE      LYS  63   3.625  -3.023 -10.404
  500    HZ1  LYS  63           3HZ      LYS  63   3.277  -1.373 -12.853
  501    HZ2  LYS  63           1HZ      LYS  63   2.016  -1.852 -11.938
  502    HZ3  LYS  63           2HZ      LYS  63   3.130  -0.870 -11.289
  503    H    ASN  64           H        ASN  64   4.641   0.809  -8.022
  504    HA   ASN  64           HA       ASN  64   5.209   3.118  -9.810
  505    HB2  ASN  64           2HB      ASN  64   2.596   3.488  -9.092
  506    HB3  ASN  64           3HB      ASN  64   3.208   2.849 -10.592
  507   HD21  ASN  64          1HD2      ASN  64   1.677   1.937  -7.503
  508   HD22  ASN  64          2HD2      ASN  64   1.179   0.373  -8.137
  509    H    ARG  65           H        ARG  65   6.182   2.505  -6.830
  510    HA   ARG  65           HA       ARG  65   5.127   4.371  -5.111
  511    HB2  ARG  65           2HB      ARG  65   7.143   4.193  -3.859
  512    HB3  ARG  65           3HB      ARG  65   6.929   2.654  -4.668
  513    HG2  ARG  65           2HG      ARG  65   8.506   3.556  -6.504
  514    HG3  ARG  65           3HG      ARG  65   8.844   4.909  -5.409
  515    HD2  ARG  65           2HD      ARG  65   9.696   3.398  -3.721
  516    HD3  ARG  65           3HD      ARG  65   9.253   1.982  -4.688
  517    HE   ARG  65           HE       ARG  65  11.596   3.686  -4.999
  518   HH11  ARG  65          1HH2      ARG  65   9.542   1.457  -6.808
  519   HH12  ARG  65          2HH2      ARG  65  10.820   1.103  -7.941
  520   HH21  ARG  65          1HH1      ARG  65  13.141   3.174  -6.497
  521   HH22  ARG  65          2HH1      ARG  65  12.782   2.053  -7.774
  522    H    GLU  66           H        GLU  66   7.397   5.038  -7.704
  523    HA   GLU  66           HA       GLU  66   7.834   7.803  -6.939
  524    HB2  GLU  66           2HB      GLU  66   9.232   7.875  -8.955
  525    HB3  GLU  66           3HB      GLU  66   9.623   6.532  -7.869
  526    HG2  GLU  66           2HG      GLU  66   8.480   4.937  -9.318
  527    HG3  GLU  66           3HG      GLU  66   7.923   6.235 -10.381
  528    H    GLU  67           H        GLU  67   5.490   6.175  -8.905
  529    HA   GLU  67           HA       GLU  67   4.442   8.645 -10.130
  530    HB2  GLU  67           2HB      GLU  67   4.368   6.487 -11.337
  531    HB3  GLU  67           3HB      GLU  67   3.306   5.827 -10.086
  532    HG2  GLU  67           2HG      GLU  67   1.576   7.473 -10.624
  533    HG3  GLU  67           3HG      GLU  67   2.661   8.294 -11.752
  534    H    LEU  68           H        LEU  68   3.676   6.361  -7.478
  535    HA   LEU  68           HA       LEU  68   1.439   7.866  -6.423
  536    HB2  LEU  68           2HB      LEU  68   3.236   5.761  -5.163
  537    HB3  LEU  68           3HB      LEU  68   1.728   6.343  -4.467
  538    HG   LEU  68           HG       LEU  68   1.980   4.825  -7.104
  539   HD11  LEU  68          1HD1      LEU  68   0.947   3.962  -4.378
  540   HD12  LEU  68          2HD1      LEU  68   0.850   3.003  -5.863
  541   HD13  LEU  68          3HD1      LEU  68   2.436   3.399  -5.168
  542   HD21  LEU  68          3HD2      LEU  68  -0.435   4.647  -7.053
  543   HD22  LEU  68          1HD2      LEU  68  -0.512   5.648  -5.590
  544   HD23  LEU  68          2HD2      LEU  68   0.031   6.342  -7.139
  545    H    GLY  69           H        GLY  69   4.862   8.381  -6.140
  546    HA2  GLY  69           2HA      GLY  69   5.616  10.580  -5.706
  547    HA3  GLY  69           3HA      GLY  69   4.197  10.905  -4.715
  548    H    PHE  70           H        PHE  70   5.927   7.949  -4.054
  549    HA   PHE  70           HA       PHE  70   6.547   8.666  -1.339
  550    HB2  PHE  70           2HB      PHE  70   7.292   6.364  -3.169
  551    HB3  PHE  70           3HB      PHE  70   7.938   6.495  -1.553
  552    HD1  PHE  70           HD2      PHE  70   4.787   5.905  -3.461
  553    HD2  PHE  70           HD1      PHE  70   6.611   6.154   0.409
  554    HE1  PHE  70           HE2      PHE  70   2.909   4.608  -2.497
  555    HE2  PHE  70           HE1      PHE  70   4.761   4.859   1.395
  556    HZ   PHE  70           HZ       PHE  70   2.905   4.049  -0.082
  557    H    ARG  71           H        ARG  71   8.262   9.622  -0.462
  558    HA   ARG  71           HA       ARG  71  10.978   9.437  -1.638
  559    HB2  ARG  71           2HB      ARG  71   9.746  11.923  -0.351
  560    HB3  ARG  71           3HB      ARG  71  11.415  11.765  -0.888
  561    HG2  ARG  71           2HG      ARG  71  10.689  11.551  -3.233
  562    HG3  ARG  71           3HG      ARG  71   8.988  11.651  -2.735
  563    HD2  ARG  71           2HD      ARG  71   9.406  13.882  -1.749
  564    HD3  ARG  71           3HD      ARG  71  11.075  13.811  -2.311
  565    HE   ARG  71           HE       ARG  71  10.387  14.092  -4.543
  566   HH11  ARG  71          1HH2      ARG  71   7.519  14.074  -2.490
  567   HH12  ARG  71          2HH2      ARG  71   6.488  14.536  -3.815
  568   HH21  ARG  71          1HH1      ARG  71   9.005  14.742  -6.139
  569   HH22  ARG  71          2HH1      ARG  71   7.313  14.948  -5.801
  570    HA   PRO  72           HA       PRO  72  12.135   7.927   2.318
  571    HB2  PRO  72           2HB      PRO  72  14.050  10.227   2.694
  572    HB3  PRO  72           3HB      PRO  72  14.299   8.488   3.024
  573    HG2  PRO  72           2HG      PRO  72  15.228   9.555   0.702
  574    HG3  PRO  72           3HG      PRO  72  14.357   7.988   0.652
  575    HD2  PRO  72           2HD      PRO  72  13.299  10.751   0.007
  576    HD3  PRO  72           3HD      PRO  72  13.054   9.216  -0.877
  577    H    GLU  73           H        GLU  73  11.446  11.420   2.381
  578    HA   GLU  73           HA       GLU  73  11.072  11.752   5.164
  579    HB2  GLU  73           2HB      GLU  73   9.283  13.076   3.094
  580    HB3  GLU  73           3HB      GLU  73   9.899  13.762   4.590
  581    HG2  GLU  73           2HG      GLU  73  11.406  13.248   1.991
  582    HG3  GLU  73           3HG      GLU  73  10.926  14.804   2.643
  583    H    TYR  74           H        TYR  74   9.072  10.094   2.879
  584    HA   TYR  74           HA       TYR  74   7.170   9.279   4.911
  585    HB2  TYR  74           2HB      TYR  74   5.235   9.981   3.326
  586    HB3  TYR  74           3HB      TYR  74   5.929  11.093   4.474
  587    HD1  TYR  74           HD2      TYR  74   6.749  10.093   0.916
  588    HD2  TYR  74           HD1      TYR  74   6.120  13.272   3.757
  589    HE1  TYR  74           HE2      TYR  74   7.203  11.784  -0.864
  590    HE2  TYR  74           HE1      TYR  74   6.582  14.951   1.983
  591    HH   TYR  74           HH       TYR  74   7.123  15.298  -0.205
  592    H    SER  75           H        SER  75   8.864   7.582   4.054
  593    HA   SER  75           HA       SER  75   8.109   5.994   1.760
  594    HB2  SER  75           2HB      SER  75   9.828   5.450   4.174
  595    HB3  SER  75           3HB      SER  75   9.596   4.325   2.827
  596    HG   SER  75           HG       SER  75  11.418   5.581   2.423
  597    H    ALA  76           H        ALA  76   7.921   3.367   2.787
  598    HA   ALA  76           HA       ALA  76   5.175   3.070   3.237
  599    HB1  ALA  76           1HB      ALA  76   6.646   1.301   2.385
  600    HB2  ALA  76           2HB      ALA  76   7.471   1.201   3.963
  601    HB3  ALA  76           3HB      ALA  76   5.758   0.754   3.819
  602    H    SER  77           H        SER  77   7.588   3.827   5.694
  603    HA   SER  77           HA       SER  77   6.142   2.970   7.988
  604    HB2  SER  77           2HB      SER  77   8.026   5.346   7.794
  605    HB3  SER  77           3HB      SER  77   7.651   4.380   9.229
  606    HG   SER  77           HG       SER  77   9.663   3.816   8.269
  607    H    GLN  78           H        GLN  78   5.546   5.618   5.792
  608    HA   GLN  78           HA       GLN  78   3.775   6.953   7.685
  609    HB2  GLN  78           2HB      GLN  78   5.212   7.960   5.225
  610    HB3  GLN  78           3HB      GLN  78   3.908   8.846   5.992
  611    HG2  GLN  78           2HG      GLN  78   5.852   9.788   6.907
  612    HG3  GLN  78           3HG      GLN  78   5.132   8.806   8.171
  613   HE21  GLN  78          2HE2      GLN  78   7.134   8.584   9.338
  614   HE22  GLN  78          1HE2      GLN  78   8.509   7.721   8.623
  615    H    LEU  79           H        LEU  79   3.104   4.465   6.172
  616    HA   LEU  79           HA       LEU  79   0.652   5.332   4.725
  617    HB2  LEU  79           2HB      LEU  79   1.845   2.632   5.471
  618    HB3  LEU  79           3HB      LEU  79   0.272   2.805   4.716
  619    HG   LEU  79           HG       LEU  79   2.693   3.962   3.318
  620   HD11  LEU  79          1HD1      LEU  79   3.326   1.596   3.894
  621   HD12  LEU  79          2HD1      LEU  79   1.867   1.037   3.081
  622   HD13  LEU  79          3HD1      LEU  79   3.123   1.874   2.157
  623   HD21  LEU  79          3HD2      LEU  79   1.385   3.533   1.353
  624   HD22  LEU  79          1HD2      LEU  79   0.249   2.510   2.241
  625   HD23  LEU  79          2HD2      LEU  79   0.304   4.248   2.551
  626    H    LYS  80           H        LYS  80  -1.346   5.381   5.622
  627    HA   LYS  80           HA       LYS  80  -1.764   5.463   8.411
  628    HB2  LYS  80           2HB      LYS  80  -3.863   4.689   6.323
  629    HB3  LYS  80           3HB      LYS  80  -4.179   5.193   7.984
  630    HG2  LYS  80           2HG      LYS  80  -3.015   7.359   7.467
  631    HG3  LYS  80           3HG      LYS  80  -2.994   6.872   5.758
  632    HD2  LYS  80           2HD      LYS  80  -5.457   7.279   7.527
  633    HD3  LYS  80           3HD      LYS  80  -4.846   8.433   6.337
  634    HE2  LYS  80           2HE      LYS  80  -5.256   6.804   4.518
  635    HE3  LYS  80           3HE      LYS  80  -5.867   5.631   5.698
  636    HZ1  LYS  80           3HZ      LYS  80  -7.685   6.856   4.648
  637    HZ2  LYS  80           1HZ      LYS  80  -7.649   7.199   6.243
  638    HZ3  LYS  80           2HZ      LYS  80  -7.090   8.288   5.159
  639    H    GLY  81           H        GLY  81  -2.069   3.984   9.962
  640    HA2  GLY  81           2HA      GLY  81  -2.442   1.983  11.046
  641    HA3  GLY  81           3HA      GLY  81  -3.201   1.371   9.575
  642    H    PHE  82           H        PHE  82   0.064   2.333   8.904
  643    HA   PHE  82           HA       PHE  82   0.972  -0.281   8.284
  644    HB2  PHE  82           2HB      PHE  82   2.100   1.508   7.285
  645    HB3  PHE  82           3HB      PHE  82   2.276   2.398   8.792
  646    HD1  PHE  82           HD1      PHE  82   3.732  -0.306   6.709
  647    HD2  PHE  82           HD2      PHE  82   4.050   1.986  10.348
  648    HE1  PHE  82           HE1      PHE  82   6.036  -1.166   7.061
  649    HE2  PHE  82           HE2      PHE  82   6.342   1.094  10.712
  650    HZ   PHE  82           HZ       PHE  82   7.319  -0.505   9.074
  651    H    SER  83           H        SER  83   1.340   1.653  11.255
  652    HA   SER  83           HA       SER  83   3.087  -0.041  12.694
  653    HB2  SER  83           2HB      SER  83   2.240   1.247  14.648
  654    HB3  SER  83           3HB      SER  83   2.617   2.287  13.253
  655    HG   SER  83           HG       SER  83   0.585   2.799  14.218
  656    H    LEU  84           H        LEU  84  -0.294  -0.467  12.002
  657    HA   LEU  84           HA       LEU  84  -0.771  -2.358  14.221
  658    HB2  LEU  84           2HB      LEU  84  -2.662  -1.356  12.066
  659    HB3  LEU  84           3HB      LEU  84  -3.097  -2.244  13.518
  660    HG   LEU  84           HG       LEU  84  -1.983   0.596  13.429
  661   HD11  LEU  84          1HD1      LEU  84  -4.745  -0.463  14.141
  662   HD12  LEU  84          2HD1      LEU  84  -4.219   1.234  14.190
  663   HD13  LEU  84          3HD1      LEU  84  -4.306   0.382  12.639
  664   HD21  LEU  84          3HD2      LEU  84  -2.917  -1.077  15.805
  665   HD22  LEU  84          1HD2      LEU  84  -1.258  -0.502  15.506
  666   HD23  LEU  84          2HD2      LEU  84  -2.541   0.661  15.849
  667    H    LEU  85           H        LEU  85   0.470  -2.635  11.083
  668    HA   LEU  85           HA       LEU  85  -0.657  -5.240  10.405
  669    HB2  LEU  85           2HB      LEU  85   1.607  -3.534   9.383
  670    HB3  LEU  85           3HB      LEU  85   1.614  -5.239   9.013
  671    HG   LEU  85           HG       LEU  85  -0.494  -5.121   7.855
  672   HD11  LEU  85          1HD1      LEU  85  -1.623  -2.994   7.356
  673   HD12  LEU  85          2HD1      LEU  85  -1.690  -3.358   9.080
  674   HD13  LEU  85          3HD1      LEU  85  -0.535  -2.149   8.478
  675   HD21  LEU  85          3HD2      LEU  85   1.368  -2.881   6.984
  676   HD22  LEU  85          1HD2      LEU  85   1.579  -4.609   6.630
  677   HD23  LEU  85          2HD2      LEU  85   0.193  -3.738   5.959
  678    H    ALA  86           H        ALA  86   0.795  -7.199  10.232
  679    HA   ALA  86           HA       ALA  86   1.986  -7.892  12.783
  680    HB1  ALA  86           1HB      ALA  86   0.851  -9.535  11.300
  681    HB2  ALA  86           2HB      ALA  86   2.121  -9.296  10.080
  682    HB3  ALA  86           3HB      ALA  86   2.527 -10.003  11.656
  683    H    THR  87           H        THR  87   4.188  -8.215  13.267
  684    HA   THR  87           HA       THR  87   5.972  -6.251  12.515
  685    HB   THR  87           HB       THR  87   6.798  -9.017  13.441
  686    HG1  THR  87           1HG      THR  87   6.384  -8.233  15.520
  687   HG21  THR  87          1HG2      THR  87   8.695  -7.491  12.982
  688   HG22  THR  87          2HG2      THR  87   7.947  -6.237  13.995
  689   HG23  THR  87          3HG2      THR  87   8.524  -7.755  14.721
  690    H    GLU  88           H        GLU  88   5.831  -9.564  11.131
  691    HA   GLU  88           HA       GLU  88   8.124  -9.296   9.464
  692    HB2  GLU  88           2HB      GLU  88   7.336 -11.276   8.335
  693    HB3  GLU  88           3HB      GLU  88   7.146 -11.441  10.080
  694    HG2  GLU  88           2HG      GLU  88   4.700 -10.870   9.820
  695    HG3  GLU  88           3HG      GLU  88   4.929 -10.852   8.070
  696    H    ASP  89           H        ASP  89   4.767  -8.232   8.882
  697    HA   ASP  89           HA       ASP  89   5.334  -7.541   6.074
  698    HB2  ASP  89           2HB      ASP  89   2.973  -6.940   7.884
  699    HB3  ASP  89           3HB      ASP  89   3.094  -6.476   6.188
  700    H    LYS  90           H        LYS  90   5.169  -5.852   9.216
  701    HA   LYS  90           HA       LYS  90   5.665  -3.193   8.228
  702    HB2  LYS  90           2HB      LYS  90   6.241  -4.528  10.902
  703    HB3  LYS  90           3HB      LYS  90   6.544  -2.809  10.593
  704    HG2  LYS  90           2HG      LYS  90   4.274  -2.334  10.189
  705    HG3  LYS  90           3HG      LYS  90   3.822  -4.036  10.076
  706    HD2  LYS  90           2HD      LYS  90   3.048  -3.090  12.161
  707    HD3  LYS  90           3HD      LYS  90   4.219  -4.386  12.443
  708    HE2  LYS  90           2HE      LYS  90   5.973  -2.724  12.919
  709    HE3  LYS  90           3HE      LYS  90   4.852  -1.407  12.543
  710    HZ1  LYS  90           3HZ      LYS  90   4.532  -3.359  14.768
  711    HZ2  LYS  90           1HZ      LYS  90   4.948  -1.789  14.939
  712    HZ3  LYS  90           2HZ      LYS  90   3.447  -2.190  14.409
  713    H    GLU  91           H        GLU  91   7.914  -5.827   9.073
  714    HA   GLU  91           HA       GLU  91  10.316  -4.357   8.361
  715    HB2  GLU  91           2HB      GLU  91   9.706  -7.341   8.448
  716    HB3  GLU  91           3HB      GLU  91  11.291  -6.661   8.062
  717    HG2  GLU  91           2HG      GLU  91  11.316  -5.496  10.267
  718    HG3  GLU  91           3HG      GLU  91   9.796  -6.280  10.689
  719    H    ALA  92           H        ALA  92   8.300  -6.702   6.451
  720    HA   ALA  92           HA       ALA  92   9.923  -6.586   4.164
  721    HB1  ALA  92           1HB      ALA  92   6.958  -7.195   4.380
  722    HB2  ALA  92           2HB      ALA  92   8.026  -7.638   3.027
  723    HB3  ALA  92           3HB      ALA  92   8.297  -8.345   4.633
  724    H    LEU  93           H        LEU  93   7.117  -4.468   4.919
  725    HA   LEU  93           HA       LEU  93   7.087  -3.173   2.333
  726    HB2  LEU  93           2HB      LEU  93   6.098  -2.303   5.072
  727    HB3  LEU  93           3HB      LEU  93   5.777  -1.422   3.581
  728    HG   LEU  93           HG       LEU  93   4.869  -4.293   4.029
  729   HD11  LEU  93          1HD1      LEU  93   3.340  -1.671   4.323
  730   HD12  LEU  93          2HD1      LEU  93   2.642  -3.303   4.417
  731   HD13  LEU  93          3HD1      LEU  93   3.801  -2.773   5.643
  732   HD21  LEU  93          3HD2      LEU  93   5.041  -3.661   1.651
  733   HD22  LEU  93          1HD2      LEU  93   3.357  -3.834   2.153
  734   HD23  LEU  93          2HD2      LEU  93   4.052  -2.212   1.966
  735    H    LYS  94           H        LYS  94   8.785  -2.378   5.393
  736    HA   LYS  94           HA       LYS  94  10.082   0.013   4.339
  737    HB2  LYS  94           2HB      LYS  94  10.710  -1.787   6.714
  738    HB3  LYS  94           3HB      LYS  94  11.607  -0.315   6.320
  739    HG2  LYS  94           2HG      LYS  94   9.471   0.995   6.458
  740    HG3  LYS  94           3HG      LYS  94   8.649  -0.457   7.026
  741    HD2  LYS  94           2HD      LYS  94  10.974   0.976   8.387
  742    HD3  LYS  94           3HD      LYS  94   9.283   1.004   8.897
  743    HE2  LYS  94           2HE      LYS  94   9.370  -1.454   9.309
  744    HE3  LYS  94           3HE      LYS  94  11.070  -1.470   8.829
  745    HZ1  LYS  94           3HZ      LYS  94  11.550   0.029  10.688
  746    HZ2  LYS  94           1HZ      LYS  94   9.979   0.053  11.138
  747    HZ3  LYS  94           2HZ      LYS  94  10.840  -1.330  11.242
  748    H    LYS  95           H        LYS  95  11.003  -3.420   4.482
  749    HA   LYS  95           HA       LYS  95  13.662  -3.089   3.498
  750    HB2  LYS  95           2HB      LYS  95  11.726  -5.416   3.394
  751    HB3  LYS  95           3HB      LYS  95  13.328  -5.519   2.655
  752    HG2  LYS  95           2HG      LYS  95  14.445  -5.088   4.754
  753    HG3  LYS  95           3HG      LYS  95  12.932  -4.712   5.565
  754    HD2  LYS  95           2HD      LYS  95  13.635  -6.913   6.228
  755    HD3  LYS  95           3HD      LYS  95  12.170  -7.064   5.248
  756    HE2  LYS  95           2HE      LYS  95  13.546  -7.679   3.273
  757    HE3  LYS  95           3HE      LYS  95  15.022  -7.452   4.220
  758    HZ1  LYS  95           3HZ      LYS  95  14.387  -9.792   4.119
  759    HZ2  LYS  95           1HZ      LYS  95  14.300  -9.279   5.663
  760    HZ3  LYS  95           2HZ      LYS  95  12.932  -9.491   4.792
  761    H    GLN  96           H        GLN  96  10.700  -2.842   1.790
  762    HA   GLN  96           HA       GLN  96  11.962  -2.938  -0.899
  763    HB2  GLN  96           2HB      GLN  96   9.190  -3.114   0.220
  764    HB3  GLN  96           3HB      GLN  96   9.357  -2.309  -1.328
  765    HG2  GLN  96           2HG      GLN  96   8.866  -4.795  -1.414
  766    HG3  GLN  96           3HG      GLN  96  10.175  -4.194  -2.426
  767   HE21  GLN  96          2HE2      GLN  96   9.868  -5.530   0.986
  768   HE22  GLN  96          1HE2      GLN  96  11.225  -6.624   0.739
  769    H    LEU  97           H        LEU  97  10.289  -0.541   1.214
  770    HA   LEU  97           HA       LEU  97  12.077   1.488   0.096
  771    HB2  LEU  97           2HB      LEU  97  10.333   3.190  -0.146
  772    HB3  LEU  97           3HB      LEU  97  10.420   1.996  -1.412
  773    HG   LEU  97           HG       LEU  97   8.390   1.455   0.748
  774   HD11  LEU  97          1HD1      LEU  97   8.030   3.618  -1.367
  775   HD12  LEU  97          2HD1      LEU  97   6.772   2.984  -0.287
  776   HD13  LEU  97          3HD1      LEU  97   8.139   3.887   0.384
  777   HD21  LEU  97          3HD2      LEU  97   8.637  -0.031  -1.215
  778   HD22  LEU  97          1HD2      LEU  97   7.056   0.759  -1.196
  779   HD23  LEU  97          2HD2      LEU  97   8.314   1.343  -2.297
  780    HA   PRO  98           HA       PRO  98  11.607   2.177   4.558
  781    HB2  PRO  98           2HB      PRO  98  14.293   2.424   5.159
  782    HB3  PRO  98           3HB      PRO  98  13.395   0.885   5.064
  783    HG2  PRO  98           2HG      PRO  98  15.429   1.920   3.191
  784    HG3  PRO  98           3HG      PRO  98  14.747   0.269   3.352
  785    HD2  PRO  98           2HD      PRO  98  14.026   2.377   1.454
  786    HD3  PRO  98           3HD      PRO  98  13.541   0.658   1.489
  787    H    GLY  99           H        GLY  99  11.943   4.213   5.865
  788    HA2  GLY  99           2HA      GLY  99  13.372   6.478   4.638
  789    HA3  GLY  99           3HA      GLY  99  11.623   6.628   4.730
  790    H    VAL 100           H        VAL 100  11.893   8.453   6.015
  791    HA   VAL 100           HA       VAL 100  13.336   8.569   8.457
  792    HB   VAL 100           HB       VAL 100  11.092  10.286   7.313
  793   HG11  VAL 100          1HG1      VAL 100  12.865  10.874   9.728
  794   HG12  VAL 100          2HG1      VAL 100  11.830  12.057   8.900
  795   HG13  VAL 100          3HG1      VAL 100  11.091  10.694   9.730
  796   HG21  VAL 100          3HG2      VAL 100  14.111  10.717   7.501
  797   HG22  VAL 100          1HG2      VAL 100  13.219  10.310   6.023
  798   HG23  VAL 100          2HG2      VAL 100  12.939  11.861   6.817
  799    H    LYS 101           H        LYS 101  12.650   8.642  10.534
  800    HA   LYS 101           HA       LYS 101  10.468   6.732  11.136
  801    HB2  LYS 101           2HB      LYS 101  12.942   6.216  11.514
  802    HB3  LYS 101           3HB      LYS 101  12.900   7.391  12.843
  803    HG2  LYS 101           2HG      LYS 101  10.997   6.123  13.818
  804    HG3  LYS 101           3HG      LYS 101  11.110   4.955  12.488
  805    HD2  LYS 101           2HD      LYS 101  13.336   4.270  13.207
  806    HD3  LYS 101           3HD      LYS 101  13.384   5.525  14.449
  807    HE2  LYS 101           2HE      LYS 101  11.376   3.219  14.366
  808    HE3  LYS 101           3HE      LYS 101  12.863   3.219  15.318
  809    HZ1  LYS 101           3HZ      LYS 101  12.011   5.231  16.464
  810    HZ2  LYS 101           1HZ      LYS 101  10.588   5.107  15.670
  811    HZ3  LYS 101           2HZ      LYS 101  11.045   3.918  16.706
  812    H    SER 102           H        SER 102   9.002   8.690  10.908
  813    HA   SER 102           HA       SER 102   8.956  10.672  12.998
  814    HB2  SER 102           2HB      SER 102   6.656  11.133  12.216
  815    HB3  SER 102           3HB      SER 102   7.865  11.146  10.925
  816    HG   SER 102           HG       SER 102   5.791  10.002  10.582
  817    H    GLU 103           H        GLU 103   7.744   7.378  12.884
  818    HA   GLU 103           HA       GLU 103   6.204   7.643  15.382
  819    HB2  GLU 103           2HB      GLU 103   5.533   5.984  13.723
  820    HB3  GLU 103           3HB      GLU 103   7.085   5.150  13.876
  821    HG2  GLU 103           2HG      GLU 103   6.623   4.507  16.154
  822    HG3  GLU 103           3HG      GLU 103   5.278   5.639  16.276
  823    H    GLY 104           H        GLY 104   7.115   7.808  17.337
  824    HA2  GLY 104           2HA      GLY 104   8.647   7.441  19.079
  825    HA3  GLY 104           3HA      GLY 104   9.726   6.567  17.995
  826    H    LYS 105           H        LYS 105   8.710   9.533  16.620
  827    HA   LYS 105           HA       LYS 105   9.671  11.539  16.213
  828    HB2  LYS 105           2HB      LYS 105   8.734  11.712  18.548
  829    HB3  LYS 105           3HB      LYS 105  10.380  11.534  19.164
  830    HG2  LYS 105           2HG      LYS 105  11.045  13.589  17.886
  831    HG3  LYS 105           3HG      LYS 105   9.388  13.721  17.269
  832    HD2  LYS 105           2HD      LYS 105   8.543  13.977  19.590
  833    HD3  LYS 105           3HD      LYS 105  10.205  13.834  20.209
  834    HE2  LYS 105           2HE      LYS 105  10.859  15.847  18.904
  835    HE3  LYS 105           3HE      LYS 105   9.207  15.988  18.286
  836    HZ1  LYS 105           3HZ      LYS 105   9.976  16.195  21.151
  837    HZ2  LYS 105           1HZ      LYS 105   9.567  17.449  20.192
  838    HZ3  LYS 105           2HZ      LYS 105   8.450  16.326  20.580
  839    H    ARG 106           H        ARG 106  11.151  10.045  15.035
  840    HA   ARG 106           HA       ARG 106  13.034   9.668  13.995
  841    HB2  ARG 106           2HB      ARG 106  13.124  12.107  13.892
  842    HB3  ARG 106           3HB      ARG 106  14.040  12.170  15.394
  843    HG2  ARG 106           2HG      ARG 106  15.477  12.538  13.458
  844    HG3  ARG 106           3HG      ARG 106  15.959  11.098  14.342
  845    HD2  ARG 106           2HD      ARG 106  14.666   9.720  12.600
  846    HD3  ARG 106           3HD      ARG 106  14.395  11.227  11.725
  847    HE   ARG 106           HE       ARG 106  16.602  11.199  10.999
  848   HH11  ARG 106          1HH2      ARG 106  16.376   8.814  13.595
  849   HH12  ARG 106          2HH2      ARG 106  17.932   8.137  13.193
  850   HH21  ARG 106          1HH1      ARG 106  18.578  10.287  10.596
  851   HH22  ARG 106          2HH1      ARG 106  19.144   8.959  11.565
  852    H    LYS 107           H        LYS 107  13.420   9.648  17.444
  853    HA   LYS 107           HA       LYS 107  15.932   8.180  17.497
  854    HB2  LYS 107           2HB      LYS 107  13.624   8.407  19.484
  855    HB3  LYS 107           3HB      LYS 107  15.083   7.461  19.783
  856    HG2  LYS 107           2HG      LYS 107  16.470   9.516  19.454
  857    HG3  LYS 107           3HG      LYS 107  14.975  10.471  19.336
  858    HD2  LYS 107           2HD      LYS 107  14.313   9.782  21.600
  859    HD3  LYS 107           3HD      LYS 107  15.692   8.669  21.693
  860    HE2  LYS 107           2HE      LYS 107  17.239  10.632  21.438
  861    HE3  LYS 107           3HE      LYS 107  15.837  11.709  21.539
  862    HZ1  LYS 107           3HZ      LYS 107  15.394  10.801  23.757
  863    HZ2  LYS 107           1HZ      LYS 107  16.640   9.745  23.632
  864    HZ3  LYS 107           2HZ      LYS 107  16.931  11.358  23.713
  865    H    GLY 108           H        GLY 108  16.257   5.968  17.944
  866    HA2  GLY 108           2HA      GLY 108  14.727   4.071  16.430
  867    HA3  GLY 108           3HA      GLY 108  16.003   3.711  17.594
  868    H    ASP 109           H        ASP 109  14.239   5.274  19.638
  869    HA   ASP 109           HA       ASP 109  12.908   4.829  21.353
  870    HB2  ASP 109           2HB      ASP 109  11.226   4.974  19.500
  871    HB3  ASP 109           3HB      ASP 109  11.171   3.212  19.478
  872    H    GLU 110           H        GLU 110  15.050   2.804  20.599
  873    HA   GLU 110           HA       GLU 110  14.544   0.996  22.883
  874    HB2  GLU 110           2HB      GLU 110  15.507   0.036  20.150
  875    HB3  GLU 110           3HB      GLU 110  15.560  -0.904  21.643
  876    HG2  GLU 110           2HG      GLU 110  13.066  -0.728  21.812
  877    HG3  GLU 110           3HG      GLU 110  13.043   0.069  20.234
  878    H    VAL 111           H        VAL 111  16.401   0.469  24.009
  879    HA   VAL 111           HA       VAL 111  18.408   0.856  24.954
  880    HB   VAL 111           HB       VAL 111  19.666   0.576  22.218
  881   HG11  VAL 111          1HG1      VAL 111  21.193   0.908  24.184
  882   HG12  VAL 111          2HG1      VAL 111  20.431  -0.473  24.991
  883   HG13  VAL 111          3HG1      VAL 111  21.353  -0.703  23.490
  884   HG21  VAL 111          3HG2      VAL 111  18.444  -1.628  23.936
  885   HG22  VAL 111          1HG2      VAL 111  17.962  -1.171  22.284
  886   HG23  VAL 111          2HG2      VAL 111  19.543  -1.891  22.564
  887    H    ASP 112           H        ASP 112  17.245   3.153  24.933
  888    HA   ASP 112           HA       ASP 112  19.442   5.121  24.628
  889    HB2  ASP 112           2HB      ASP 112  18.008   5.378  22.626
  890    HB3  ASP 112           3HB      ASP 112  16.604   5.623  23.658
  Start of MODEL   22
    1    H1   GLY   1           H1       GLY   1  10.076  22.854  17.487
    2    H2   GLY   1           H2       GLY   1   8.807  23.327  18.405
    3    H3   GLY   1           H3       GLY   1   9.083  24.048  16.960
    4    HA2  GLY   1           2HA      GLY   1   7.235  22.530  16.761
    5    HA3  GLY   1           3HA      GLY   1   8.613  22.008  15.776
    6    H    SER   2           H        SER   2   7.462  19.910  15.924
    7    HA   SER   2           HA       SER   2   8.492  18.260  18.153
    8    HB2  SER   2           2HB      SER   2   6.300  17.176  18.486
    9    HB3  SER   2           3HB      SER   2   6.279  18.888  18.932
   10    HG   SER   2           HG       SER   2   4.440  18.298  17.691
   11    H    LYS   3           H        LYS   3   8.315  15.940  17.732
   12    HA   LYS   3           HA       LYS   3   9.078  15.281  14.986
   13    HB2  LYS   3           2HB      LYS   3   8.767  13.547  17.473
   14    HB3  LYS   3           3HB      LYS   3   9.401  12.989  15.921
   15    HG2  LYS   3           2HG      LYS   3  11.251  14.639  16.064
   16    HG3  LYS   3           3HG      LYS   3  10.644  15.185  17.638
   17    HD2  LYS   3           2HD      LYS   3  10.961  12.900  18.558
   18    HD3  LYS   3           3HD      LYS   3  11.591  12.359  16.986
   19    HE2  LYS   3           2HE      LYS   3  13.422  14.030  17.146
   20    HE3  LYS   3           3HE      LYS   3  12.791  14.582  18.703
   21    HZ1  LYS   3           3HZ      LYS   3  14.600  12.990  18.996
   22    HZ2  LYS   3           1HZ      LYS   3  13.223  12.353  19.593
   23    HZ3  LYS   3           2HZ      LYS   3  13.806  11.841  18.154
   24    H    ALA   4           H        ALA   4   8.090  13.875  13.566
   25    HA   ALA   4           HA       ALA   4   5.157  13.653  13.775
   26    HB1  ALA   4           1HB      ALA   4   7.056  13.003  11.490
   27    HB2  ALA   4           2HB      ALA   4   5.282  13.007  11.413
   28    HB3  ALA   4           3HB      ALA   4   6.156  14.522  11.709
   29    H    GLU   5           H        GLU   5   4.012  11.811  13.945
   30    HA   GLU   5           HA       GLU   5   5.364   9.144  14.035
   31    HB2  GLU   5           2HB      GLU   5   3.408  10.227  16.105
   32    HB3  GLU   5           3HB      GLU   5   4.052   8.581  16.046
   33    HG2  GLU   5           2HG      GLU   5   6.360   9.492  16.338
   34    HG3  GLU   5           3HG      GLU   5   5.671  11.108  16.543
   35    H    LYS   6           H        LYS   6   3.818  10.384  11.922
   36    HA   LYS   6           HA       LYS   6   1.320   8.749  11.809
   37    HB2  LYS   6           2HB      LYS   6   0.026  10.736  11.242
   38    HB3  LYS   6           3HB      LYS   6   0.790  10.927  12.813
   39    HG2  LYS   6           2HG      LYS   6   2.533  12.381  11.834
   40    HG3  LYS   6           3HG      LYS   6   1.858  12.134  10.215
   41    HD2  LYS   6           2HD      LYS   6  -0.272  13.183  10.943
   42    HD3  LYS   6           3HD      LYS   6   0.420  13.450  12.559
   43    HE2  LYS   6           2HE      LYS   6   2.223  14.836  11.545
   44    HE3  LYS   6           3HE      LYS   6   1.532  14.564   9.941
   45    HZ1  LYS   6           3HZ      LYS   6   0.151  15.963  12.172
   46    HZ2  LYS   6           1HZ      LYS   6   0.807  16.689  10.867
   47    HZ3  LYS   6           2HZ      LYS   6  -0.487  15.712  10.688
   48    H    THR   7           H        THR   7   0.159   9.077   9.732
   49    HA   THR   7           HA       THR   7   1.615   8.394   7.385
   50    HB   THR   7           HB       THR   7  -1.180   9.541   7.621
   51    HG1  THR   7           1HG      THR   7  -0.246   6.919   8.090
   52   HG21  THR   7          1HG2      THR   7  -0.125   8.894   5.243
   53   HG22  THR   7          2HG2      THR   7  -0.541   7.280   5.751
   54   HG23  THR   7          3HG2      THR   7  -1.782   8.549   5.656
   55    H    LEU   8           H        LEU   8   1.979   9.604   5.446
   56    HA   LEU   8           HA       LEU   8   2.264  12.498   5.730
   57    HB2  LEU   8           2HB      LEU   8   3.371  12.530   3.770
   58    HB3  LEU   8           3HB      LEU   8   3.716  10.899   4.300
   59    HG   LEU   8           HG       LEU   8   1.701  11.766   2.164
   60   HD11  LEU   8          1HD1      LEU   8   4.087  11.876   1.510
   61   HD12  LEU   8          2HD1      LEU   8   4.273  10.163   1.947
   62   HD13  LEU   8          3HD1      LEU   8   3.196  10.634   0.617
   63   HD21  LEU   8          3HD2      LEU   8   2.399   8.963   3.107
   64   HD22  LEU   8          1HD2      LEU   8   0.826   9.740   3.281
   65   HD23  LEU   8          2HD2      LEU   8   1.426   9.363   1.671
   66    H    GLY   9           H        GLY   9  -0.463  10.634   5.081
   67    HA2  GLY   9           2HA      GLY   9  -2.634  11.439   4.935
   68    HA3  GLY   9           3HA      GLY   9  -2.048  13.006   4.395
   69    H    ASP  10           H        ASP  10  -1.033  10.053   2.617
   70    HA   ASP  10           HA       ASP  10  -3.116  10.578   0.588
   71    HB2  ASP  10           2HB      ASP  10  -0.674  11.809   0.313
   72    HB3  ASP  10           3HB      ASP  10  -0.403  10.305  -0.575
   73    H    PHE  11           H        PHE  11  -1.183   8.136   2.115
   74    HA   PHE  11           HA       PHE  11  -2.566   6.164   0.447
   75    HB2  PHE  11           2HB      PHE  11  -0.333   4.872   0.187
   76    HB3  PHE  11           3HB      PHE  11  -0.829   6.093  -0.934
   77    HD1  PHE  11           HD2      PHE  11   1.250   6.074   2.263
   78    HD2  PHE  11           HD1      PHE  11   0.820   7.377  -1.830
   79    HE1  PHE  11           HE2      PHE  11   3.570   6.926   2.284
   80    HE2  PHE  11           HE1      PHE  11   3.108   8.323  -1.760
   81    HZ   PHE  11           HZ       PHE  11   4.501   8.067   0.287
   82    H    ALA  12           H        ALA  12  -2.503   3.987   1.192
   83    HA   ALA  12           HA       ALA  12  -2.428   3.775   4.165
   84    HB1  ALA  12           1HB      ALA  12  -4.739   3.020   2.341
   85    HB2  ALA  12           2HB      ALA  12  -4.712   2.936   4.110
   86    HB3  ALA  12           3HB      ALA  12  -4.667   4.512   3.284
   87    H    ALA  13           H        ALA  13  -2.545   1.656   5.019
   88    HA   ALA  13           HA       ALA  13  -1.992  -0.662   3.238
   89    HB1  ALA  13           1HB      ALA  13  -0.381   0.143   5.709
   90    HB2  ALA  13           2HB      ALA  13  -0.070  -1.237   4.619
   91    HB3  ALA  13           3HB      ALA  13   0.123   0.429   4.036
   92    H    GLU  14           H        GLU  14  -2.975  -2.593   3.949
   93    HA   GLU  14           HA       GLU  14  -3.723  -3.023   6.714
   94    HB2  GLU  14           2HB      GLU  14  -6.135  -3.285   6.281
   95    HB3  GLU  14           3HB      GLU  14  -5.620  -1.614   6.110
   96    HG2  GLU  14           2HG      GLU  14  -5.710  -1.764   3.676
   97    HG3  GLU  14           3HG      GLU  14  -6.000  -3.505   3.751
   98    H    TYR  15           H        TYR  15  -4.830  -5.239   6.876
   99    HA   TYR  15           HA       TYR  15  -3.913  -7.088   4.761
  100    HB2  TYR  15           2HB      TYR  15  -5.532  -7.533   7.284
  101    HB3  TYR  15           3HB      TYR  15  -4.989  -8.792   6.177
  102    HD1  TYR  15           HD1      TYR  15  -2.291  -8.318   5.505
  103    HD2  TYR  15           HD2      TYR  15  -4.197  -7.300   9.226
  104    HE1  TYR  15           HE1      TYR  15  -0.157  -8.780   6.724
  105    HE2  TYR  15           HE2      TYR  15  -2.051  -7.689  10.428
  106    HH   TYR  15           HH       TYR  15   0.890  -8.837   8.709
  107    H    ALA  16           H        ALA  16  -5.068  -7.950   3.196
  108    HA   ALA  16           HA       ALA  16  -7.421  -6.680   2.286
  109    HB1  ALA  16           1HB      ALA  16  -6.105  -9.275   1.458
  110    HB2  ALA  16           2HB      ALA  16  -7.320  -8.390   0.505
  111    HB3  ALA  16           3HB      ALA  16  -5.730  -7.667   0.815
  112    H    LYS  17           H        LYS  17  -9.152  -6.769   3.676
  113    HA   LYS  17           HA       LYS  17 -10.160  -9.170   4.915
  114    HB2  LYS  17           2HB      LYS  17 -11.526  -6.509   4.301
  115    HB3  LYS  17           3HB      LYS  17 -12.190  -7.774   5.341
  116    HG2  LYS  17           2HG      LYS  17 -10.232  -7.579   6.853
  117    HG3  LYS  17           3HG      LYS  17  -9.592  -6.262   5.850
  118    HD2  LYS  17           2HD      LYS  17 -11.653  -4.943   6.260
  119    HD3  LYS  17           3HD      LYS  17 -12.270  -6.216   7.319
  120    HE2  LYS  17           2HE      LYS  17  -9.660  -4.686   7.753
  121    HE3  LYS  17           3HE      LYS  17 -11.202  -4.247   8.489
  122    HZ1  LYS  17           3HZ      LYS  17  -9.780  -6.817   8.947
  123    HZ2  LYS  17           1HZ      LYS  17  -9.891  -5.583  10.008
  124    HZ3  LYS  17           2HZ      LYS  17 -11.228  -6.419   9.597
  125    H    SER  18           H        SER  18 -10.307  -8.193   1.678
  126    HA   SER  18           HA       SER  18 -12.311 -10.240   0.953
  127    HB2  SER  18           2HB      SER  18 -13.543  -8.594  -0.412
  128    HB3  SER  18           3HB      SER  18 -13.570  -8.152   1.299
  129    HG   SER  18           HG       SER  18 -13.078  -6.332   0.070
  130    H    ASN  19           H        ASN  19 -12.244 -10.829  -1.276
  131    HA   ASN  19           HA       ASN  19  -9.788 -10.163  -2.801
  132    HB2  ASN  19           2HB      ASN  19 -10.495 -12.502  -2.606
  133    HB3  ASN  19           3HB      ASN  19 -12.072 -12.117  -3.297
  134   HD21  ASN  19          2HD2      ASN  19  -8.609 -11.457  -4.266
  135   HD22  ASN  19          1HD2      ASN  19  -8.826 -12.223  -5.828
  136    H    ARG  20           H        ARG  20 -12.333  -8.356  -2.226
  137    HA   ARG  20           HA       ARG  20 -13.352  -7.709  -4.909
  138    HB2  ARG  20           2HB      ARG  20 -13.786  -6.453  -2.179
  139    HB3  ARG  20           3HB      ARG  20 -14.536  -5.891  -3.682
  140    HG2  ARG  20           2HG      ARG  20 -15.491  -8.204  -4.026
  141    HG3  ARG  20           3HG      ARG  20 -14.891  -8.647  -2.416
  142    HD2  ARG  20           2HD      ARG  20 -16.210  -6.785  -1.433
  143    HD3  ARG  20           3HD      ARG  20 -16.817  -6.371  -3.037
  144    HE   ARG  20           HE       ARG  20 -17.613  -8.644  -1.331
  145   HH11  ARG  20          1HH2      ARG  20 -17.870  -7.334  -4.577
  146   HH12  ARG  20          2HH2      ARG  20 -19.257  -8.316  -4.953
  147   HH21  ARG  20          1HH1      ARG  20 -19.377  -9.860  -1.886
  148   HH22  ARG  20          2HH1      ARG  20 -20.083  -9.704  -3.468
  149    H    SER  21           H        SER  21 -10.730  -6.579  -2.892
  150    HA   SER  21           HA       SER  21 -10.191  -4.151  -4.398
  151    HB2  SER  21           2HB      SER  21  -7.891  -4.406  -3.343
  152    HB3  SER  21           3HB      SER  21  -9.259  -4.206  -2.242
  153    HG   SER  21           HG       SER  21  -8.232  -6.764  -2.971
  154    H    THR  22           H        THR  22  -8.952  -3.869  -6.165
  155    HA   THR  22           HA       THR  22  -7.537  -6.183  -7.421
  156    HB   THR  22           HB       THR  22  -9.193  -4.133  -8.888
  157    HG1  THR  22           1HG      THR  22 -10.534  -5.617  -7.865
  158   HG21  THR  22          1HG2      THR  22  -8.892  -5.452 -10.890
  159   HG22  THR  22          2HG2      THR  22  -7.293  -5.043 -10.256
  160   HG23  THR  22          3HG2      THR  22  -7.968  -6.672 -10.006
  161    H    CYS  23           HN       CYS  23  -5.566  -5.695  -8.246
  162    HA   CYS  23           HA       CYS  23  -4.356  -3.280  -7.274
  163    HB2  CYS  23           2HB      CYS  23  -3.276  -5.415  -7.157
  164    HB3  CYS  23           3HB      CYS  23  -3.503  -5.676  -8.887
  165    H    LYS  24           H        LYS  24  -4.541  -1.388  -8.318
  166    HA   LYS  24           HA       LYS  24  -4.786  -1.113 -11.239
  167    HB2  LYS  24           2HB      LYS  24  -4.693   0.694  -8.860
  168    HB3  LYS  24           3HB      LYS  24  -3.980   1.357 -10.324
  169    HG2  LYS  24           2HG      LYS  24  -6.314   1.950 -10.283
  170    HG3  LYS  24           3HG      LYS  24  -5.970   0.885 -11.630
  171    HD2  LYS  24           2HD      LYS  24  -8.092   0.267 -10.696
  172    HD3  LYS  24           3HD      LYS  24  -6.958  -1.039 -10.352
  173    HE2  LYS  24           2HE      LYS  24  -6.642  -0.107  -8.036
  174    HE3  LYS  24           3HE      LYS  24  -7.834   1.147  -8.421
  175    HZ1  LYS  24           3HZ      LYS  24  -8.280  -1.757  -8.198
  176    HZ2  LYS  24           1HZ      LYS  24  -9.016  -0.584  -7.333
  177    HZ3  LYS  24           2HZ      LYS  24  -9.403  -0.773  -8.909
  178    H    GLY  25           H        GLY  25  -2.177  -1.775  -9.213
  179    HA2  GLY  25           2HA      GLY  25  -0.030  -0.568 -10.745
  180    HA3  GLY  25           3HA      GLY  25   0.106  -1.858  -9.547
  181    H    CYS  26           HN       CYS  26  -1.657  -3.729 -10.951
  182    HA   CYS  26           HA       CYS  26  -0.325  -4.118 -13.564
  183    HB2  CYS  26           2HB      CYS  26   0.263  -6.405 -13.161
  184    HB3  CYS  26           3HB      CYS  26   1.023  -5.379 -11.941
  185    H    MET  27           H        MET  27  -3.266  -3.999 -12.096
  186    HA   MET  27           HA       MET  27  -5.345  -4.437 -12.697
  187    HB2  MET  27           2HB      MET  27  -4.394  -3.493 -14.913
  188    HB3  MET  27           3HB      MET  27  -4.506  -5.149 -15.499
  189    HG2  MET  27           2HG      MET  27  -6.578  -4.526 -16.113
  190    HG3  MET  27           3HG      MET  27  -7.008  -4.877 -14.448
  191    HE1  MET  27           3HE      MET  27  -5.615  -2.214 -12.977
  192    HE2  MET  27           1HE      MET  27  -7.054  -1.177 -12.918
  193    HE3  MET  27           2HE      MET  27  -7.196  -2.909 -12.539
  194    H    GLU  28           H        GLU  28  -4.431  -6.382 -11.189
  195    HA   GLU  28           HA       GLU  28  -6.324  -8.410 -12.016
  196    HB2  GLU  28           2HB      GLU  28  -5.113 -10.360 -11.824
  197    HB3  GLU  28           3HB      GLU  28  -4.137  -9.333 -12.870
  198    HG2  GLU  28           2HG      GLU  28  -2.635  -8.844 -10.960
  199    HG3  GLU  28           3HG      GLU  28  -3.634  -9.843  -9.907
  200    H    LYS  29           H        LYS  29  -6.796  -9.982 -10.142
  201    HA   LYS  29           HA       LYS  29  -7.621  -8.083  -8.137
  202    HB2  LYS  29           2HB      LYS  29  -8.195 -11.042  -8.092
  203    HB3  LYS  29           3HB      LYS  29  -9.026  -9.730  -7.234
  204    HG2  LYS  29           2HG      LYS  29  -9.766  -8.799  -9.456
  205    HG3  LYS  29           3HG      LYS  29  -9.011 -10.192 -10.248
  206    HD2  LYS  29           2HD      LYS  29 -11.303 -10.771 -10.055
  207    HD3  LYS  29           3HD      LYS  29 -10.469 -11.693  -8.796
  208    HE2  LYS  29           2HE      LYS  29 -11.074  -9.664  -7.244
  209    HE3  LYS  29           3HE      LYS  29 -12.194  -9.198  -8.523
  210    HZ1  LYS  29           3HZ      LYS  29 -13.201 -11.459  -8.269
  211    HZ2  LYS  29           1HZ      LYS  29 -12.192 -11.750  -6.997
  212    HZ3  LYS  29           2HZ      LYS  29 -13.309 -10.570  -6.897
  213    H    ILE  30           H        ILE  30  -7.218  -7.922  -6.011
  214    HA   ILE  30           HA       ILE  30  -4.666  -9.035  -5.088
  215    HB   ILE  30           HB       ILE  30  -6.601  -6.985  -4.039
  216   HG12  ILE  30          2HG1      ILE  30  -3.648  -6.670  -4.676
  217   HG13  ILE  30          3HG1      ILE  30  -4.851  -6.617  -5.957
  218   HG21  ILE  30          1HG2      ILE  30  -4.088  -7.929  -2.608
  219   HG22  ILE  30          2HG2      ILE  30  -5.087  -6.518  -2.197
  220   HG23  ILE  30          3HG2      ILE  30  -5.762  -8.130  -2.023
  221   HD11  ILE  30          3HD1      ILE  30  -5.991  -4.738  -4.879
  222   HD12  ILE  30          1HD1      ILE  30  -4.763  -4.730  -3.582
  223   HD13  ILE  30          2HD1      ILE  30  -4.302  -4.383  -5.265
  224    H    GLU  31           H        GLU  31  -4.334 -10.560  -3.589
  225    HA   GLU  31           HA       GLU  31  -6.465 -12.446  -3.085
  226    HB2  GLU  31           2HB      GLU  31  -3.576 -12.308  -2.134
  227    HB3  GLU  31           3HB      GLU  31  -4.653 -13.666  -1.816
  228    HG2  GLU  31           2HG      GLU  31  -3.851 -12.720  -4.602
  229    HG3  GLU  31           3HG      GLU  31  -3.056 -14.003  -3.704
  230    H    LYS  32           H        LYS  32  -7.550 -12.899  -1.310
  231    HA   LYS  32           HA       LYS  32  -7.770 -11.025   0.887
  232    HB2  LYS  32           2HB      LYS  32  -9.646 -12.391  -0.006
  233    HB3  LYS  32           3HB      LYS  32  -8.857 -13.856   0.594
  234    HG2  LYS  32           2HG      LYS  32  -9.041 -12.990   2.928
  235    HG3  LYS  32           3HG      LYS  32  -9.824 -11.520   2.307
  236    HD2  LYS  32           2HD      LYS  32 -11.683 -12.857   1.437
  237    HD3  LYS  32           3HD      LYS  32 -10.872 -14.353   1.965
  238    HE2  LYS  32           2HE      LYS  32 -10.968 -13.582   4.319
  239    HE3  LYS  32           3HE      LYS  32 -11.765 -12.090   3.810
  240    HZ1  LYS  32           3HZ      LYS  32 -13.373 -13.734   4.585
  241    HZ2  LYS  32           1HZ      LYS  32 -13.630 -13.436   3.003
  242    HZ3  LYS  32           2HZ      LYS  32 -12.891 -14.820   3.467
  243    H    GLY  33           H        GLY  33  -7.149 -11.218   2.988
  244    HA2  GLY  33           2HA      GLY  33  -6.142 -12.015   4.908
  245    HA3  GLY  33           3HA      GLY  33  -5.853 -13.559   4.109
  246    H    GLN  34           H        GLN  34  -4.486 -10.962   2.364
  247    HA   GLN  34           HA       GLN  34  -1.899 -10.995   3.814
  248    HB2  GLN  34           2HB      GLN  34  -0.632 -11.212   1.750
  249    HB3  GLN  34           3HB      GLN  34  -1.628 -12.614   2.073
  250    HG2  GLN  34           2HG      GLN  34  -1.775 -12.294  -0.249
  251    HG3  GLN  34           3HG      GLN  34  -3.312 -11.725   0.374
  252   HE21  GLN  34          1HE2      GLN  34  -3.903  -9.547  -0.176
  253   HE22  GLN  34          2HE2      GLN  34  -2.691  -8.364  -0.698
  254    H    VAL  35           H        VAL  35  -0.443  -9.102   2.899
  255    HA   VAL  35           HA       VAL  35  -1.913  -6.746   3.597
  256    HB   VAL  35           HB       VAL  35   0.874  -6.981   2.417
  257   HG11  VAL  35          1HG1      VAL  35  -0.478  -4.647   3.853
  258   HG12  VAL  35          2HG1      VAL  35   1.254  -4.759   3.478
  259   HG13  VAL  35          3HG1      VAL  35   0.091  -4.669   2.163
  260   HG21  VAL  35          3HG2      VAL  35  -0.046  -6.686   5.314
  261   HG22  VAL  35          1HG2      VAL  35   0.651  -8.156   4.595
  262   HG23  VAL  35          2HG2      VAL  35   1.633  -6.704   4.751
  263    H    ARG  36           H        ARG  36  -2.830  -5.133   2.476
  264    HA   ARG  36           HA       ARG  36  -2.268  -4.827  -0.420
  265    HB2  ARG  36           2HB      ARG  36  -4.530  -4.310  -0.968
  266    HB3  ARG  36           3HB      ARG  36  -4.412  -5.926  -0.264
  267    HG2  ARG  36           2HG      ARG  36  -5.415  -5.189   1.815
  268    HG3  ARG  36           3HG      ARG  36  -5.420  -3.509   1.271
  269    HD2  ARG  36           2HD      ARG  36  -6.944  -4.095  -0.600
  270    HD3  ARG  36           3HD      ARG  36  -6.926  -5.784  -0.089
  271    HE   ARG  36           HE       ARG  36  -7.835  -3.820   1.944
  272   HH11  ARG  36          1HH2      ARG  36  -9.042  -6.031  -0.545
  273   HH12  ARG  36          2HH2      ARG  36 -10.587  -6.164   0.255
  274   HH21  ARG  36          1HH1      ARG  36  -9.696  -3.989   2.798
  275   HH22  ARG  36          2HH1      ARG  36 -11.005  -4.934   2.069
  276    H    LEU  37           H        LEU  37  -1.894  -2.798  -1.101
  277    HA   LEU  37           HA       LEU  37  -2.048  -0.609   0.916
  278    HB2  LEU  37           2HB      LEU  37  -0.225  -0.617  -1.503
  279    HB3  LEU  37           3HB      LEU  37  -0.267   0.484  -0.108
  280    HG   LEU  37           HG       LEU  37   1.664  -0.643   0.165
  281   HD11  LEU  37          1HD1      LEU  37   0.278  -0.515   2.147
  282   HD12  LEU  37          2HD1      LEU  37  -0.232  -2.200   1.938
  283   HD13  LEU  37          3HD1      LEU  37   1.479  -1.818   2.229
  284   HD21  LEU  37          3HD2      LEU  37   2.042  -3.017   0.077
  285   HD22  LEU  37          1HD2      LEU  37   0.327  -3.369  -0.185
  286   HD23  LEU  37          2HD2      LEU  37   1.263  -2.524  -1.438
  287    H    SER  38           H        SER  38  -2.658   1.522   0.123
  288    HA   SER  38           HA       SER  38  -3.629   1.664  -2.630
  289    HB2  SER  38           2HB      SER  38  -5.830   2.635  -1.985
  290    HB3  SER  38           3HB      SER  38  -5.647   0.945  -1.530
  291    HG   SER  38           HG       SER  38  -6.451   1.934   0.250
  292    H    LYS  39           H        LYS  39  -4.117   3.779  -3.401
  293    HA   LYS  39           HA       LYS  39  -2.937   6.034  -1.799
  294    HB2  LYS  39           2HB      LYS  39  -1.580   5.664  -3.717
  295    HB3  LYS  39           3HB      LYS  39  -2.981   5.592  -4.795
  296    HG2  LYS  39           2HG      LYS  39  -3.424   7.948  -4.543
  297    HG3  LYS  39           3HG      LYS  39  -2.223   8.105  -3.238
  298    HD2  LYS  39           2HD      LYS  39  -0.404   7.629  -4.738
  299    HD3  LYS  39           3HD      LYS  39  -1.524   7.170  -6.038
  300    HE2  LYS  39           2HE      LYS  39  -0.850   9.247  -6.728
  301    HE3  LYS  39           3HE      LYS  39  -2.391   9.600  -5.940
  302    HZ1  LYS  39           3HZ      LYS  39  -0.577  11.138  -5.307
  303    HZ2  LYS  39           1HZ      LYS  39  -1.150  10.374  -3.992
  304    HZ3  LYS  39           2HZ      LYS  39   0.280   9.904  -4.658
  305    H    LYS  40           H        LYS  40  -4.218   7.631  -1.247
  306    HA   LYS  40           HA       LYS  40  -7.058   7.639  -2.103
  307    HB2  LYS  40           2HB      LYS  40  -6.859   7.705   0.187
  308    HB3  LYS  40           3HB      LYS  40  -5.567   8.866   0.194
  309    HG2  LYS  40           2HG      LYS  40  -8.404   9.531  -0.782
  310    HG3  LYS  40           3HG      LYS  40  -7.946   9.595   0.912
  311    HD2  LYS  40           2HD      LYS  40  -7.014  11.422  -1.306
  312    HD3  LYS  40           3HD      LYS  40  -7.849  11.818   0.194
  313    HE2  LYS  40           2HE      LYS  40  -5.849  11.173   1.499
  314    HE3  LYS  40           3HE      LYS  40  -5.017  10.737  -0.012
  315    HZ1  LYS  40           3HZ      LYS  40  -5.943  13.499   0.376
  316    HZ2  LYS  40           1HZ      LYS  40  -4.510  12.959   0.986
  317    HZ3  LYS  40           2HZ      LYS  40  -4.733  12.891  -0.604
  318    H    MET  41           H        MET  41  -7.513   8.696  -3.906
  319    HA   MET  41           HA       MET  41  -6.629  11.455  -4.280
  320    HB2  MET  41           2HB      MET  41  -5.622  11.105  -6.500
  321    HB3  MET  41           3HB      MET  41  -4.689  10.324  -5.227
  322    HG2  MET  41           2HG      MET  41  -5.694   8.138  -5.818
  323    HG3  MET  41           3HG      MET  41  -6.650   8.916  -7.085
  324    HE1  MET  41           3HE      MET  41  -4.844   6.377  -7.522
  325    HE2  MET  41           1HE      MET  41  -5.876   7.155  -8.748
  326    HE3  MET  41           2HE      MET  41  -4.176   6.771  -9.123
  327    H    VAL  42           H        VAL  42  -8.056  12.643  -5.674
  328    HA   VAL  42           HA       VAL  42 -10.461  11.613  -6.608
  329    HB   VAL  42           HB       VAL  42  -8.820  13.827  -7.901
  330   HG11  VAL  42          1HG1      VAL  42 -10.625  13.133  -9.400
  331   HG12  VAL  42          2HG1      VAL  42 -11.801  13.200  -8.063
  332   HG13  VAL  42          3HG1      VAL  42 -11.035  14.683  -8.671
  333   HG21  VAL  42          3HG2      VAL  42 -10.972  13.982  -5.747
  334   HG22  VAL  42          1HG2      VAL  42  -9.241  14.339  -5.533
  335   HG23  VAL  42          2HG2      VAL  42 -10.227  15.366  -6.566
  336    H    ASP  43           H        ASP  43 -11.073  10.332  -8.288
  337    HA   ASP  43           HA       ASP  43  -9.124   8.913  -9.851
  338    HB2  ASP  43           2HB      ASP  43 -11.358   8.061  -9.114
  339    HB3  ASP  43           3HB      ASP  43 -12.125   9.126 -10.276
  340    HA   PRO  44           HA       PRO  44  -8.809  12.174 -12.988
  341    HB2  PRO  44           2HB      PRO  44  -7.029  10.965 -14.712
  342    HB3  PRO  44           3HB      PRO  44  -6.555  11.682 -13.141
  343    HG2  PRO  44           2HG      PRO  44  -7.217   8.769 -13.723
  344    HG3  PRO  44           3HG      PRO  44  -5.764   9.426 -12.895
  345    HD2  PRO  44           2HD      PRO  44  -7.855   8.502 -11.492
  346    HD3  PRO  44           3HD      PRO  44  -7.020   9.994 -10.968
  347    H    GLU  45           H        GLU  45 -10.083   8.963 -13.509
  348    HA   GLU  45           HA       GLU  45 -11.197   9.733 -16.183
  349    HB2  GLU  45           2HB      GLU  45 -11.099   7.047 -14.757
  350    HB3  GLU  45           3HB      GLU  45 -11.843   7.359 -16.328
  351    HG2  GLU  45           2HG      GLU  45  -9.620   8.144 -17.194
  352    HG3  GLU  45           3HG      GLU  45  -8.885   7.666 -15.662
  353    H    LYS  46           H        LYS  46 -12.030   9.749 -12.897
  354    HA   LYS  46           HA       LYS  46 -14.896  10.155 -13.466
  355    HB2  LYS  46           2HB      LYS  46 -13.875   8.054 -11.522
  356    HB3  LYS  46           3HB      LYS  46 -15.531   8.670 -11.549
  357    HG2  LYS  46           2HG      LYS  46 -15.808   7.871 -13.867
  358    HG3  LYS  46           3HG      LYS  46 -14.192   7.136 -13.811
  359    HD2  LYS  46           2HD      LYS  46 -16.369   6.530 -11.777
  360    HD3  LYS  46           3HD      LYS  46 -16.172   5.613 -13.289
  361    HE2  LYS  46           2HE      LYS  46 -13.812   5.085 -12.631
  362    HE3  LYS  46           3HE      LYS  46 -14.069   5.910 -11.095
  363    HZ1  LYS  46           3HZ      LYS  46 -15.565   3.513 -12.022
  364    HZ2  LYS  46           1HZ      LYS  46 -14.411   3.524 -10.871
  365    HZ3  LYS  46           2HZ      LYS  46 -15.833   4.279 -10.602
  366    HA   PRO  47           HA       PRO  47 -12.803  12.939 -10.297
  367    HB2  PRO  47           2HB      PRO  47 -13.452  15.386 -11.430
  368    HB3  PRO  47           3HB      PRO  47 -11.967  14.452 -11.777
  369    HG2  PRO  47           2HG      PRO  47 -14.557  14.486 -13.358
  370    HG3  PRO  47           3HG      PRO  47 -12.874  14.637 -13.972
  371    HD2  PRO  47           2HD      PRO  47 -14.175  12.282 -14.062
  372    HD3  PRO  47           3HD      PRO  47 -12.440  12.349 -13.626
  373    H    GLN  48           H        GLN  48 -16.020  12.729 -11.633
  374    HA   GLN  48           HA       GLN  48 -17.483  14.331  -9.805
  375    HB2  GLN  48           2HB      GLN  48 -18.304  13.373 -11.962
  376    HB3  GLN  48           3HB      GLN  48 -18.255  11.762 -11.254
  377    HG2  GLN  48           2HG      GLN  48 -20.531  12.568 -11.300
  378    HG3  GLN  48           3HG      GLN  48 -20.018  12.399  -9.634
  379   HE21  GLN  48          2HE2      GLN  48 -22.001  13.851  -9.341
  380   HE22  GLN  48          1HE2      GLN  48 -21.739  15.585  -9.488
  381    H    LEU  49           H        LEU  49 -15.999  11.127  -9.311
  382    HA   LEU  49           HA       LEU  49 -17.411  10.337  -6.937
  383    HB2  LEU  49           2HB      LEU  49 -14.547   9.983  -7.933
  384    HB3  LEU  49           3HB      LEU  49 -15.133   9.195  -6.484
  385    HG   LEU  49           HG       LEU  49 -16.402   8.730  -9.212
  386   HD11  LEU  49          1HD1      LEU  49 -15.058   6.629  -9.159
  387   HD12  LEU  49          2HD1      LEU  49 -14.037   8.084  -9.202
  388   HD13  LEU  49          3HD1      LEU  49 -14.247   7.215  -7.685
  389   HD21  LEU  49          3HD2      LEU  49 -17.843   8.172  -7.281
  390   HD22  LEU  49          1HD2      LEU  49 -17.254   6.689  -8.050
  391   HD23  LEU  49          2HD2      LEU  49 -16.513   7.263  -6.533
  392    H    GLY  50           H        GLY  50 -14.880  12.766  -7.415
  393    HA2  GLY  50           2HA      GLY  50 -13.453  13.849  -5.931
  394    HA3  GLY  50           3HA      GLY  50 -14.404  13.259  -4.564
  395    H    MET  51           H        MET  51 -12.593  12.538  -3.479
  396    HA   MET  51           HA       MET  51 -10.493  11.000  -4.557
  397    HB2  MET  51           2HB      MET  51 -10.984  11.296  -1.599
  398    HB3  MET  51           3HB      MET  51  -9.466  11.193  -2.489
  399    HG2  MET  51           2HG      MET  51 -10.296  13.490  -3.548
  400    HG3  MET  51           3HG      MET  51 -11.350  13.529  -2.138
  401    HE1  MET  51           3HE      MET  51  -6.793  13.949  -2.369
  402    HE2  MET  51           1HE      MET  51  -7.783  12.733  -3.223
  403    HE3  MET  51           2HE      MET  51  -7.962  14.453  -3.610
  404    H    ILE  52           H        ILE  52 -10.057   8.892  -4.543
  405    HA   ILE  52           HA       ILE  52 -11.693   7.035  -2.909
  406    HB   ILE  52           HB       ILE  52 -11.506   5.394  -4.835
  407   HG12  ILE  52          2HG1      ILE  52 -11.126   7.824  -6.625
  408   HG13  ILE  52          3HG1      ILE  52  -9.751   6.872  -6.061
  409   HG21  ILE  52          1HG2      ILE  52 -13.253   7.811  -5.380
  410   HG22  ILE  52          2HG2      ILE  52 -13.529   6.114  -5.863
  411   HG23  ILE  52          3HG2      ILE  52 -13.575   6.554  -4.155
  412   HD11  ILE  52          3HD1      ILE  52 -12.063   5.795  -7.703
  413   HD12  ILE  52          1HD1      ILE  52 -10.391   6.105  -8.220
  414   HD13  ILE  52          2HD1      ILE  52 -10.720   4.828  -7.031
  415    H    ASP  53           H        ASP  53 -10.710   4.907  -2.722
  416    HA   ASP  53           HA       ASP  53  -7.796   5.108  -2.172
  417    HB2  ASP  53           2HB      ASP  53  -9.907   3.162  -1.166
  418    HB3  ASP  53           3HB      ASP  53  -8.197   3.117  -0.752
  419    H    ARG  54           H        ARG  54  -6.978   4.773  -4.190
  420    HA   ARG  54           HA       ARG  54  -7.718   2.591  -5.983
  421    HB2  ARG  54           2HB      ARG  54  -6.487   4.996  -6.336
  422    HB3  ARG  54           3HB      ARG  54  -5.056   4.014  -6.154
  423    HG2  ARG  54           2HG      ARG  54  -5.411   4.143  -8.449
  424    HG3  ARG  54           3HG      ARG  54  -5.944   2.522  -8.031
  425    HD2  ARG  54           2HD      ARG  54  -8.201   3.046  -8.472
  426    HD3  ARG  54           3HD      ARG  54  -8.029   4.702  -7.903
  427    HE   ARG  54           HE       ARG  54  -6.547   4.604 -10.274
  428   HH11  ARG  54          1HH2      ARG  54  -9.917   4.055  -9.509
  429   HH12  ARG  54          2HH2      ARG  54 -10.476   5.152 -10.753
  430   HH21  ARG  54          1HH1      ARG  54  -7.356   5.868 -11.964
  431   HH22  ARG  54          2HH1      ARG  54  -9.077   6.171 -12.045
  432    H    TRP  55           H        TRP  55  -7.284   0.463  -5.360
  433    HA   TRP  55           HA       TRP  55  -5.127  -0.131  -3.527
  434    HB2  TRP  55           2HB      TRP  55  -7.028  -2.008  -4.943
  435    HB3  TRP  55           3HB      TRP  55  -5.899  -2.454  -3.670
  436    HD1  TRP  55           HD1      TRP  55  -9.305  -1.005  -4.192
  437    HE1  TRP  55           HE1      TRP  55 -10.408  -0.392  -1.970
  438    HE3  TRP  55           HE3      TRP  55  -5.302  -1.730  -1.034
  439    HZ2  TRP  55           HZ2      TRP  55  -9.633  -0.075   0.783
  440    HZ3  TRP  55           HZ3      TRP  55  -5.499  -1.140   1.356
  441    HH2  TRP  55           HH2      TRP  55  -7.651  -0.311   2.280
  442    H    TYR  56           H        TYR  56  -3.439  -1.528  -3.718
  443    HA   TYR  56           HA       TYR  56  -2.326  -2.408  -6.309
  444    HB2  TYR  56           2HB      TYR  56  -0.912  -0.676  -4.228
  445    HB3  TYR  56           3HB      TYR  56  -0.154  -1.390  -5.644
  446    HD1  TYR  56           HD2      TYR  56  -0.703  -0.585  -7.907
  447    HD2  TYR  56           HD1      TYR  56  -2.246   1.371  -4.416
  448    HE1  TYR  56           HE2      TYR  56  -1.337   1.396  -9.306
  449    HE2  TYR  56           HE1      TYR  56  -2.896   3.333  -5.795
  450    HH   TYR  56           HH       TYR  56  -2.907   4.275  -7.891
  451    H    HIS  57           H        HIS  57  -0.760  -4.054  -6.080
  452    HA   HIS  57           HA       HIS  57  -0.838  -5.782  -3.717
  453    HB2  HIS  57           2HB      HIS  57   0.946  -5.876  -6.150
  454    HB3  HIS  57           3HB      HIS  57   1.037  -7.034  -4.856
  455    HD2  HIS  57           HD2      HIS  57  -1.372  -8.428  -4.306
  456    HE1  HIS  57           HE1      HIS  57  -2.588  -8.382  -8.378
  457    HE2  HIS  57           HE2      HIS  57  -2.926  -9.509  -6.151
  458    HA   PRO  58           HA       PRO  58   2.871  -4.279  -1.507
  459    HB2  PRO  58           2HB      PRO  58   3.567  -7.211  -1.369
  460    HB3  PRO  58           3HB      PRO  58   3.636  -5.969  -0.075
  461    HG2  PRO  58           2HG      PRO  58   1.553  -7.677  -0.155
  462    HG3  PRO  58           3HG      PRO  58   1.242  -5.926   0.100
  463    HD2  PRO  58           2HD      PRO  58   1.047  -7.509  -2.481
  464    HD3  PRO  58           3HD      PRO  58  -0.122  -6.350  -1.777
  465    H    GLY  59           H        GLY  59   3.279  -6.512  -4.235
  466    HA2  GLY  59           2HA      GLY  59   6.113  -5.825  -4.663
  467    HA3  GLY  59           3HA      GLY  59   5.058  -6.741  -5.746
  468    H    CYS  60           HN       CYS  60   2.982  -5.012  -6.235
  469    HA   CYS  60           HA       CYS  60   4.138  -3.448  -8.272
  470    HB2  CYS  60           2HB      CYS  60   1.265  -3.468  -7.281
  471    HB3  CYS  60           3HB      CYS  60   1.837  -3.009  -8.893
  472    H    PHE  61           H        PHE  61   2.646  -2.441  -5.150
  473    HA   PHE  61           HA       PHE  61   2.520   0.320  -5.831
  474    HB2  PHE  61           2HB      PHE  61   1.776   0.674  -3.764
  475    HB3  PHE  61           3HB      PHE  61   1.587  -1.069  -3.757
  476    HD1  PHE  61           HD1      PHE  61   3.483  -2.468  -2.767
  477    HD2  PHE  61           HD2      PHE  61   3.223   1.778  -2.251
  478    HE1  PHE  61           HE1      PHE  61   4.884  -2.652  -0.700
  479    HE2  PHE  61           HE2      PHE  61   4.617   1.613  -0.177
  480    HZ   PHE  61           HZ       PHE  61   5.412  -0.607   0.611
  481    H    VAL  62           H        VAL  62   5.244  -1.596  -4.588
  482    HA   VAL  62           HA       VAL  62   7.166   0.538  -4.419
  483    HB   VAL  62           HB       VAL  62   7.703  -2.352  -5.181
  484   HG11  VAL  62          1HG1      VAL  62   9.520  -0.212  -3.991
  485   HG12  VAL  62          2HG1      VAL  62   9.942  -1.921  -4.205
  486   HG13  VAL  62          3HG1      VAL  62   9.653  -0.915  -5.620
  487   HG21  VAL  62          3HG2      VAL  62   8.213  -2.684  -2.808
  488   HG22  VAL  62          1HG2      VAL  62   7.671  -1.028  -2.435
  489   HG23  VAL  62          2HG2      VAL  62   6.521  -2.251  -3.019
  490    H    LYS  63           H        LYS  63   6.170  -1.481  -7.209
  491    HA   LYS  63           HA       LYS  63   8.119  -0.510  -9.056
  492    HB2  LYS  63           2HB      LYS  63   6.844  -2.581  -9.376
  493    HB3  LYS  63           3HB      LYS  63   5.337  -1.674  -9.486
  494    HG2  LYS  63           2HG      LYS  63   6.101  -0.595 -11.578
  495    HG3  LYS  63           3HG      LYS  63   7.626  -1.481 -11.467
  496    HD2  LYS  63           2HD      LYS  63   6.107  -2.563 -13.050
  497    HD3  LYS  63           3HD      LYS  63   6.441  -3.614 -11.684
  498    HE2  LYS  63           2HE      LYS  63   4.111  -3.786 -12.317
  499    HE3  LYS  63           3HE      LYS  63   4.234  -3.111 -10.696
  500    HZ1  LYS  63           3HZ      LYS  63   3.865  -1.424 -13.116
  501    HZ2  LYS  63           1HZ      LYS  63   2.616  -1.990 -12.233
  502    HZ3  LYS  63           2HZ      LYS  63   3.663  -0.954 -11.547
  503    H    ASN  64           H        ASN  64   4.940   0.806  -8.190
  504    HA   ASN  64           HA       ASN  64   5.421   3.157  -9.971
  505    HB2  ASN  64           2HB      ASN  64   2.776   3.347  -9.154
  506    HB3  ASN  64           3HB      ASN  64   3.402   2.895 -10.719
  507   HD21  ASN  64          1HD2      ASN  64   1.897   1.674  -7.765
  508   HD22  ASN  64          2HD2      ASN  64   1.580   0.091  -8.465
  509    H    ARG  65           H        ARG  65   6.383   2.537  -6.985
  510    HA   ARG  65           HA       ARG  65   5.210   4.258  -5.218
  511    HB2  ARG  65           2HB      ARG  65   7.247   4.206  -3.975
  512    HB3  ARG  65           3HB      ARG  65   7.104   2.670  -4.800
  513    HG2  ARG  65           2HG      ARG  65   8.638   3.667  -6.625
  514    HG3  ARG  65           3HG      ARG  65   8.917   5.016  -5.509
  515    HD2  ARG  65           2HD      ARG  65   9.860   3.542  -3.856
  516    HD3  ARG  65           3HD      ARG  65   9.461   2.108  -4.816
  517    HE   ARG  65           HE       ARG  65  11.723   3.915  -5.161
  518   HH11  ARG  65          1HH2      ARG  65   9.752   1.593  -6.940
  519   HH12  ARG  65          2HH2      ARG  65  11.036   1.286  -8.082
  520   HH21  ARG  65          1HH1      ARG  65  13.274   3.467  -6.671
  521   HH22  ARG  65          2HH1      ARG  65  12.954   2.321  -7.938
  522    H    GLU  66           H        GLU  66   7.497   5.210  -7.705
  523    HA   GLU  66           HA       GLU  66   7.729   7.940  -6.790
  524    HB2  GLU  66           2HB      GLU  66   9.115   8.234  -8.805
  525    HB3  GLU  66           3HB      GLU  66   9.604   6.868  -7.791
  526    HG2  GLU  66           2HG      GLU  66   8.575   5.272  -9.326
  527    HG3  GLU  66           3HG      GLU  66   7.932   6.584 -10.323
  528    H    GLU  67           H        GLU  67   5.562   6.276  -8.927
  529    HA   GLU  67           HA       GLU  67   4.325   8.682 -10.049
  530    HB2  GLU  67           2HB      GLU  67   4.440   6.461 -11.251
  531    HB3  GLU  67           3HB      GLU  67   3.323   5.819 -10.050
  532    HG2  GLU  67           2HG      GLU  67   2.034   6.375 -11.948
  533    HG3  GLU  67           3HG      GLU  67   1.649   7.570 -10.723
  534    H    LEU  68           H        LEU  68   3.683   6.253  -7.471
  535    HA   LEU  68           HA       LEU  68   1.275   7.460  -6.469
  536    HB2  LEU  68           2HB      LEU  68   3.344   5.753  -5.030
  537    HB3  LEU  68           3HB      LEU  68   1.736   6.121  -4.427
  538    HG   LEU  68           HG       LEU  68   2.370   4.458  -6.900
  539   HD11  LEU  68          1HD1      LEU  68   1.242   3.703  -4.177
  540   HD12  LEU  68          2HD1      LEU  68   1.455   2.607  -5.555
  541   HD13  LEU  68          3HD1      LEU  68   2.873   3.327  -4.774
  542   HD21  LEU  68          3HD2      LEU  68  -0.328   5.021  -5.638
  543   HD22  LEU  68          1HD2      LEU  68   0.234   5.642  -7.216
  544   HD23  LEU  68          2HD2      LEU  68   0.017   3.912  -6.980
  545    H    GLY  69           H        GLY  69   4.677   8.186  -5.823
  546    HA2  GLY  69           2HA      GLY  69   5.164  10.548  -5.445
  547    HA3  GLY  69           3HA      GLY  69   3.782  10.661  -4.362
  548    H    PHE  70           H        PHE  70   5.780   7.813  -3.986
  549    HA   PHE  70           HA       PHE  70   6.635   8.515  -1.315
  550    HB2  PHE  70           2HB      PHE  70   7.382   6.317  -3.260
  551    HB3  PHE  70           3HB      PHE  70   8.208   6.502  -1.731
  552    HD1  PHE  70           HD1      PHE  70   4.928   5.657  -3.262
  553    HD2  PHE  70           HD2      PHE  70   7.216   5.941   0.380
  554    HE1  PHE  70           HE1      PHE  70   3.224   4.292  -2.084
  555    HE2  PHE  70           HE2      PHE  70   5.511   4.571   1.555
  556    HZ   PHE  70           HZ       PHE  70   3.526   3.738   0.320
  557    H    ARG  71           H        ARG  71   8.514   9.196  -0.554
  558    HA   ARG  71           HA       ARG  71  10.981   9.270  -2.101
  559    HB2  ARG  71           2HB      ARG  71   9.885  11.801  -0.757
  560    HB3  ARG  71           3HB      ARG  71  11.571  11.555  -1.148
  561    HG2  ARG  71           2HG      ARG  71  11.015  12.721  -2.985
  562    HG3  ARG  71           3HG      ARG  71  10.686  11.106  -3.609
  563    HD2  ARG  71           2HD      ARG  71   8.240  11.472  -3.039
  564    HD3  ARG  71           3HD      ARG  71   8.661  13.065  -2.441
  565    HE   ARG  71           HE       ARG  71   8.908  13.868  -4.600
  566   HH11  ARG  71          1HH2      ARG  71   8.513  10.376  -4.902
  567   HH12  ARG  71          2HH2      ARG  71   8.016  10.526  -6.575
  568   HH21  ARG  71          1HH1      ARG  71   8.357  13.922  -6.733
  569   HH22  ARG  71          2HH1      ARG  71   7.981  12.450  -7.579
  570    HA   PRO  72           HA       PRO  72  12.529   7.466   1.452
  571    HB2  PRO  72           2HB      PRO  72  14.725   9.539   1.684
  572    HB3  PRO  72           3HB      PRO  72  14.854   7.752   1.760
  573    HG2  PRO  72           2HG      PRO  72  15.467   9.028  -0.531
  574    HG3  PRO  72           3HG      PRO  72  14.434   7.559  -0.599
  575    HD2  PRO  72           2HD      PRO  72  13.588  10.465  -0.683
  576    HD3  PRO  72           3HD      PRO  72  13.057   9.104  -1.714
  577    H    GLU  73           H        GLU  73  12.118  10.955   1.990
  578    HA   GLU  73           HA       GLU  73  12.240  10.809   4.870
  579    HB2  GLU  73           2HB      GLU  73  11.410  13.080   4.835
  580    HB3  GLU  73           3HB      GLU  73  12.659  12.867   3.610
  581    HG2  GLU  73           2HG      GLU  73  10.855  12.642   1.863
  582    HG3  GLU  73           3HG      GLU  73   9.651  12.954   3.114
  583    H    TYR  74           H        TYR  74   9.764   9.773   2.721
  584    HA   TYR  74           HA       TYR  74   8.071   9.097   5.018
  585    HB2  TYR  74           2HB      TYR  74   5.993   9.853   3.717
  586    HB3  TYR  74           3HB      TYR  74   6.935  10.981   4.661
  587    HD1  TYR  74           HD2      TYR  74   7.359   9.810   1.099
  588    HD2  TYR  74           HD1      TYR  74   6.690  13.081   3.824
  589    HE1  TYR  74           HE2      TYR  74   7.340  11.428  -0.815
  590    HE2  TYR  74           HE1      TYR  74   6.721  14.682   1.928
  591    HH   TYR  74           HH       TYR  74   6.908  14.946  -0.335
  592    H    SER  75           H        SER  75   9.499   7.307   4.228
  593    HA   SER  75           HA       SER  75   8.602   5.413   2.284
  594    HB2  SER  75           2HB      SER  75   9.896   3.860   3.746
  595    HB3  SER  75           3HB      SER  75  10.778   5.326   3.306
  596    HG   SER  75           HG       SER  75  10.722   4.583   5.643
  597    H    ALA  76           H        ALA  76   8.042   3.110   3.409
  598    HA   ALA  76           HA       ALA  76   5.349   2.951   3.573
  599    HB1  ALA  76           1HB      ALA  76   5.719   0.713   4.574
  600    HB2  ALA  76           2HB      ALA  76   6.839   1.045   3.239
  601    HB3  ALA  76           3HB      ALA  76   7.401   1.148   4.928
  602    H    SER  77           H        SER  77   7.271   3.772   6.486
  603    HA   SER  77           HA       SER  77   5.255   3.108   8.403
  604    HB2  SER  77           2HB      SER  77   7.250   5.372   8.625
  605    HB3  SER  77           3HB      SER  77   6.513   4.452   9.946
  606    HG   SER  77           HG       SER  77   7.659   2.613   9.206
  607    H    GLN  78           H        GLN  78   5.486   5.708   6.116
  608    HA   GLN  78           HA       GLN  78   3.459   7.326   7.441
  609    HB2  GLN  78           2HB      GLN  78   5.302   7.756   5.095
  610    HB3  GLN  78           3HB      GLN  78   3.877   8.753   5.290
  611    HG2  GLN  78           2HG      GLN  78   5.877   9.818   6.241
  612    HG3  GLN  78           3HG      GLN  78   4.563   9.636   7.362
  613   HE21  GLN  78          2HE2      GLN  78   4.985   8.656   9.318
  614   HE22  GLN  78          1HE2      GLN  78   6.527   7.892   9.709
  615    H    LEU  79           H        LEU  79   2.982   4.530   6.020
  616    HA   LEU  79           HA       LEU  79   0.589   5.277   4.419
  617    HB2  LEU  79           2HB      LEU  79   1.770   2.626   5.334
  618    HB3  LEU  79           3HB      LEU  79   0.248   2.757   4.481
  619    HG   LEU  79           HG       LEU  79   2.725   3.891   3.169
  620   HD11  LEU  79          1HD1      LEU  79   1.983   0.951   2.984
  621   HD12  LEU  79          2HD1      LEU  79   3.281   1.796   2.132
  622   HD13  LEU  79          3HD1      LEU  79   3.365   1.576   3.887
  623   HD21  LEU  79          3HD2      LEU  79   0.366   2.372   2.018
  624   HD22  LEU  79          1HD2      LEU  79   0.378   4.121   2.268
  625   HD23  LEU  79          2HD2      LEU  79   1.530   3.384   1.154
  626    H    LYS  80           H        LYS  80  -1.470   5.302   5.191
  627    HA   LYS  80           HA       LYS  80  -2.103   5.392   7.970
  628    HB2  LYS  80           2HB      LYS  80  -4.014   4.625   5.722
  629    HB3  LYS  80           3HB      LYS  80  -4.452   5.151   7.344
  630    HG2  LYS  80           2HG      LYS  80  -3.286   7.328   6.881
  631    HG3  LYS  80           3HG      LYS  80  -3.100   6.805   5.194
  632    HD2  LYS  80           2HD      LYS  80  -5.736   7.188   6.695
  633    HD3  LYS  80           3HD      LYS  80  -5.028   8.340   5.556
  634    HE2  LYS  80           2HE      LYS  80  -5.197   6.666   3.735
  635    HE3  LYS  80           3HE      LYS  80  -5.908   5.502   4.866
  636    HZ1  LYS  80           3HZ      LYS  80  -7.134   8.111   4.144
  637    HZ2  LYS  80           1HZ      LYS  80  -7.615   6.655   3.579
  638    HZ3  LYS  80           2HZ      LYS  80  -7.783   7.011   5.163
  639    H    GLY  81           H        GLY  81  -2.589   3.849   9.457
  640    HA2  GLY  81           2HA      GLY  81  -3.124   1.802  10.399
  641    HA3  GLY  81           3HA      GLY  81  -3.637   1.245   8.806
  642    H    PHE  82           H        PHE  82  -0.368   2.197   8.539
  643    HA   PHE  82           HA       PHE  82   0.702  -0.378   8.116
  644    HB2  PHE  82           2HB      PHE  82   1.820   1.517   7.252
  645    HB3  PHE  82           3HB      PHE  82   1.833   2.349   8.796
  646    HD1  PHE  82           HD1      PHE  82   3.424   1.801  10.560
  647    HD2  PHE  82           HD2      PHE  82   3.642  -0.031   6.666
  648    HE1  PHE  82           HE1      PHE  82   5.773   1.116  11.017
  649    HE2  PHE  82           HE2      PHE  82   6.003  -0.677   7.111
  650    HZ   PHE  82           HZ       PHE  82   7.063  -0.118   9.280
  651    H    SER  83           H        SER  83   0.774   1.661  11.061
  652    HA   SER  83           HA       SER  83   2.347   0.026  12.677
  653    HB2  SER  83           2HB      SER  83   0.098   1.903  13.492
  654    HB3  SER  83           3HB      SER  83   1.410   1.330  14.548
  655    HG   SER  83           HG       SER  83   1.874   3.390  13.640
  656    H    LEU  84           H        LEU  84  -0.983  -0.509  11.813
  657    HA   LEU  84           HA       LEU  84  -1.572  -2.269  14.113
  658    HB2  LEU  84           2HB      LEU  84  -3.193  -1.164  11.792
  659    HB3  LEU  84           3HB      LEU  84  -3.785  -2.471  12.796
  660    HG   LEU  84           HG       LEU  84  -3.665  -1.077  14.811
  661   HD11  LEU  84          1HD1      LEU  84  -1.953   0.569  14.322
  662   HD12  LEU  84          2HD1      LEU  84  -2.861   1.165  12.907
  663   HD13  LEU  84          3HD1      LEU  84  -3.479   1.413  14.555
  664   HD21  LEU  84          3HD2      LEU  84  -5.728  -1.226  13.458
  665   HD22  LEU  84          1HD2      LEU  84  -5.579   0.355  14.238
  666   HD23  LEU  84          2HD2      LEU  84  -5.211   0.184  12.507
  667    H    LEU  85           H        LEU  85  -0.054  -2.682  11.103
  668    HA   LEU  85           HA       LEU  85  -0.928  -5.437  10.574
  669    HB2  LEU  85           2HB      LEU  85   1.468  -3.826   9.643
  670    HB3  LEU  85           3HB      LEU  85   1.064  -5.423   9.045
  671    HG   LEU  85           HG       LEU  85  -0.799  -3.025   8.743
  672   HD11  LEU  85          1HD1      LEU  85   0.028  -2.898   6.432
  673   HD12  LEU  85          2HD1      LEU  85   1.365  -2.651   7.567
  674   HD13  LEU  85          3HD1      LEU  85   1.179  -4.217   6.748
  675   HD21  LEU  85          3HD2      LEU  85  -0.725  -5.743   7.408
  676   HD22  LEU  85          1HD2      LEU  85  -1.971  -5.131   8.522
  677   HD23  LEU  85          2HD2      LEU  85  -1.765  -4.398   6.926
  678    H    ALA  86           H        ALA  86   0.825  -7.204  10.570
  679    HA   ALA  86           HA       ALA  86   1.952  -7.575  13.209
  680    HB1  ALA  86           1HB      ALA  86   2.480  -9.066  10.603
  681    HB2  ALA  86           2HB      ALA  86   2.876  -9.632  12.241
  682    HB3  ALA  86           3HB      ALA  86   1.180  -9.439  11.758
  683    H    THR  87           H        THR  87   4.143  -7.553  13.852
  684    HA   THR  87           HA       THR  87   5.812  -5.501  12.966
  685    HB   THR  87           HB       THR  87   6.753  -8.079  14.255
  686    HG1  THR  87           1HG      THR  87   6.209  -7.067  16.200
  687   HG21  THR  87          1HG2      THR  87   8.596  -6.528  13.680
  688   HG22  THR  87          2HG2      THR  87   7.742  -5.192  14.483
  689   HG23  THR  87          3HG2      THR  87   8.356  -6.568  15.431
  690    H    GLU  88           H        GLU  88   5.849  -8.925  11.905
  691    HA   GLU  88           HA       GLU  88   8.205  -8.696  10.280
  692    HB2  GLU  88           2HB      GLU  88   7.560 -10.825   9.345
  693    HB3  GLU  88           3HB      GLU  88   7.374 -10.828  11.097
  694    HG2  GLU  88           2HG      GLU  88   4.898 -10.457  10.792
  695    HG3  GLU  88           3HG      GLU  88   5.128 -10.583   9.046
  696    H    ASP  89           H        ASP  89   4.820  -7.866   9.588
  697    HA   ASP  89           HA       ASP  89   5.368  -7.455   6.714
  698    HB2  ASP  89           2HB      ASP  89   2.936  -6.940   8.449
  699    HB3  ASP  89           3HB      ASP  89   3.039  -6.476   6.754
  700    H    LYS  90           H        LYS  90   5.068  -5.477   9.658
  701    HA   LYS  90           HA       LYS  90   5.412  -2.896   8.414
  702    HB2  LYS  90           2HB      LYS  90   6.000  -3.972  11.202
  703    HB3  LYS  90           3HB      LYS  90   6.230  -2.272  10.770
  704    HG2  LYS  90           2HG      LYS  90   3.948  -1.906  10.353
  705    HG3  LYS  90           3HG      LYS  90   3.593  -3.621  10.177
  706    HD2  LYS  90           2HD      LYS  90   2.621  -2.848  12.204
  707    HD3  LYS  90           3HD      LYS  90   3.906  -4.001  12.573
  708    HE2  LYS  90           2HE      LYS  90   5.416  -2.133  13.173
  709    HE3  LYS  90           3HE      LYS  90   4.160  -0.970  12.721
  710    HZ1  LYS  90           3HZ      LYS  90   4.139  -1.369  15.121
  711    HZ2  LYS  90           1HZ      LYS  90   2.741  -1.944  14.483
  712    HZ3  LYS  90           2HZ      LYS  90   3.935  -2.974  14.912
  713    H    GLU  91           H        GLU  91   7.783  -5.275   9.597
  714    HA   GLU  91           HA       GLU  91  10.131  -3.806   8.734
  715    HB2  GLU  91           2HB      GLU  91   9.553  -6.737   9.286
  716    HB3  GLU  91           3HB      GLU  91  11.125  -6.194   8.708
  717    HG2  GLU  91           2HG      GLU  91   9.811  -5.076  11.220
  718    HG3  GLU  91           3HG      GLU  91  10.896  -6.467  11.218
  719    H    ALA  92           H        ALA  92   8.223  -6.419   7.099
  720    HA   ALA  92           HA       ALA  92   9.785  -6.502   4.774
  721    HB1  ALA  92           1HB      ALA  92   6.807  -7.032   5.049
  722    HB2  ALA  92           2HB      ALA  92   7.856  -7.592   3.733
  723    HB3  ALA  92           3HB      ALA  92   8.119  -8.194   5.380
  724    H    LEU  93           H        LEU  93   6.964  -4.329   5.390
  725    HA   LEU  93           HA       LEU  93   6.930  -3.234   2.736
  726    HB2  LEU  93           2HB      LEU  93   5.903  -2.208   5.397
  727    HB3  LEU  93           3HB      LEU  93   5.636  -1.371   3.866
  728    HG   LEU  93           HG       LEU  93   4.679  -4.213   4.373
  729   HD11  LEU  93          1HD1      LEU  93   2.459  -3.170   4.666
  730   HD12  LEU  93          2HD1      LEU  93   3.595  -2.617   5.903
  731   HD13  LEU  93          3HD1      LEU  93   3.189  -1.556   4.531
  732   HD21  LEU  93          3HD2      LEU  93   4.017  -2.178   2.202
  733   HD22  LEU  93          1HD2      LEU  93   4.935  -3.686   1.984
  734   HD23  LEU  93          2HD2      LEU  93   3.228  -3.754   2.422
  735    H    LYS  94           H        LYS  94   8.726  -2.173   5.680
  736    HA   LYS  94           HA       LYS  94   9.974   0.096   4.386
  737    HB2  LYS  94           2HB      LYS  94  10.818  -1.625   6.744
  738    HB3  LYS  94           3HB      LYS  94  11.653  -0.154   6.236
  739    HG2  LYS  94           2HG      LYS  94   9.616   1.189   6.645
  740    HG3  LYS  94           3HG      LYS  94   8.752  -0.252   7.183
  741    HD2  LYS  94           2HD      LYS  94  11.222   0.965   8.487
  742    HD3  LYS  94           3HD      LYS  94   9.565   1.062   9.102
  743    HE2  LYS  94           2HE      LYS  94   9.502  -1.405   9.373
  744    HE3  LYS  94           3HE      LYS  94  11.136  -1.525   8.713
  745    HZ1  LYS  94           3HZ      LYS  94  11.328  -1.624  11.014
  746    HZ2  LYS  94           1HZ      LYS  94  11.885  -0.125  10.603
  747    HZ3  LYS  94           2HZ      LYS  94  10.401  -0.283  11.288
  748    H    LYS  95           H        LYS  95  10.883  -3.383   4.738
  749    HA   LYS  95           HA       LYS  95  13.374  -3.096   3.343
  750    HB2  LYS  95           2HB      LYS  95  11.572  -5.497   3.795
  751    HB3  LYS  95           3HB      LYS  95  13.135  -5.610   2.981
  752    HG2  LYS  95           2HG      LYS  95  14.327  -4.813   4.922
  753    HG3  LYS  95           3HG      LYS  95  12.832  -4.422   5.774
  754    HD2  LYS  95           2HD      LYS  95  12.202  -6.834   5.780
  755    HD3  LYS  95           3HD      LYS  95  13.741  -7.216   4.973
  756    HE2  LYS  95           2HE      LYS  95  14.969  -6.184   6.894
  757    HE3  LYS  95           3HE      LYS  95  13.425  -5.863   7.697
  758    HZ1  LYS  95           3HZ      LYS  95  14.424  -7.923   8.504
  759    HZ2  LYS  95           1HZ      LYS  95  13.031  -8.281   7.733
  760    HZ3  LYS  95           2HZ      LYS  95  14.467  -8.563   7.004
  761    H    GLN  96           H        GLN  96  10.129  -3.334   2.113
  762    HA   GLN  96           HA       GLN  96  10.799  -3.789  -0.663
  763    HB2  GLN  96           2HB      GLN  96   8.379  -3.314   0.986
  764    HB3  GLN  96           3HB      GLN  96   8.313  -2.510  -0.551
  765    HG2  GLN  96           2HG      GLN  96   7.311  -4.596  -0.912
  766    HG3  GLN  96           3HG      GLN  96   8.899  -4.750  -1.650
  767   HE21  GLN  96          2HE2      GLN  96  10.579  -6.045  -0.377
  768   HE22  GLN  96          1HE2      GLN  96   9.968  -7.252   0.741
  769    H    LEU  97           H        LEU  97  10.013  -0.768   1.170
  770    HA   LEU  97           HA       LEU  97  11.824   0.650  -0.644
  771    HB2  LEU  97           2HB      LEU  97  10.454   2.339  -1.389
  772    HB3  LEU  97           3HB      LEU  97   9.683   0.819  -1.771
  773    HG   LEU  97           HG       LEU  97   8.790   2.930   0.222
  774   HD11  LEU  97          1HD1      LEU  97   6.776   2.895  -1.187
  775   HD12  LEU  97          2HD1      LEU  97   8.230   3.275  -2.113
  776   HD13  LEU  97          3HD1      LEU  97   7.500   1.649  -2.215
  777   HD21  LEU  97          3HD2      LEU  97   7.622   0.144  -0.136
  778   HD22  LEU  97          1HD2      LEU  97   8.348   0.814   1.343
  779   HD23  LEU  97          2HD2      LEU  97   6.845   1.495   0.731
  780    HA   PRO  98           HA       PRO  98  12.285   1.773   3.700
  781    HB2  PRO  98           2HB      PRO  98  15.109   1.728   3.758
  782    HB3  PRO  98           3HB      PRO  98  13.996   0.409   4.188
  783    HG2  PRO  98           2HG      PRO  98  15.708   0.625   1.820
  784    HG3  PRO  98           3HG      PRO  98  14.743  -0.766   2.398
  785    HD2  PRO  98           2HD      PRO  98  14.140   1.098   0.243
  786    HD3  PRO  98           3HD      PRO  98  13.271  -0.381   0.737
  787    H    GLY  99           H        GLY  99  12.788   3.749   4.767
  788    HA2  GLY  99           2HA      GLY  99  13.157   6.064   3.023
  789    HA3  GLY  99           3HA      GLY  99  12.665   6.046   4.710
  790    H    VAL 100           H        VAL 100  13.996   7.841   4.964
  791    HA   VAL 100           HA       VAL 100  16.897   7.736   4.888
  792    HB   VAL 100           HB       VAL 100  15.084   9.472   6.608
  793   HG11  VAL 100          1HG1      VAL 100  17.056  10.990   6.713
  794   HG12  VAL 100          2HG1      VAL 100  17.375   9.450   7.502
  795   HG13  VAL 100          3HG1      VAL 100  18.037   9.766   5.879
  796   HG21  VAL 100          3HG2      VAL 100  14.664   9.864   4.215
  797   HG22  VAL 100          1HG2      VAL 100  15.544  11.225   4.901
  798   HG23  VAL 100          2HG2      VAL 100  16.405  10.027   3.910
  799    H    LYS 101           H        LYS 101  18.189   6.610   6.152
  800    HA   LYS 101           HA       LYS 101  17.063   5.150   8.484
  801    HB2  LYS 101           2HB      LYS 101  19.470   4.722   6.715
  802    HB3  LYS 101           3HB      LYS 101  19.220   3.799   8.205
  803    HG2  LYS 101           2HG      LYS 101  17.145   2.898   7.489
  804    HG3  LYS 101           3HG      LYS 101  16.975   4.022   6.164
  805    HD2  LYS 101           2HD      LYS 101  19.147   1.895   6.308
  806    HD3  LYS 101           3HD      LYS 101  17.608   1.670   5.482
  807    HE2  LYS 101           2HE      LYS 101  19.610   3.872   4.794
  808    HE3  LYS 101           3HE      LYS 101  19.557   2.305   3.994
  809    HZ1  LYS 101           3HZ      LYS 101  17.338   2.793   3.207
  810    HZ2  LYS 101           1HZ      LYS 101  17.265   4.219   4.007
  811    HZ3  LYS 101           2HZ      LYS 101  18.316   4.018   2.771
  812    H    SER 102           H        SER 102  19.232   7.804   8.015
  813    HA   SER 102           HA       SER 102  20.251   7.951  10.701
  814    HB2  SER 102           2HB      SER 102  19.424  10.225   8.855
  815    HB3  SER 102           3HB      SER 102  20.509  10.329  10.255
  816    HG   SER 102           HG       SER 102  21.672  10.164   8.284
  817    H    GLU 103           H        GLU 103  17.019   8.305   9.435
  818    HA   GLU 103           HA       GLU 103  15.903   9.683  11.768
  819    HB2  GLU 103           2HB      GLU 103  15.113   9.708   9.279
  820    HB3  GLU 103           3HB      GLU 103  14.387   8.141   9.646
  821    HG2  GLU 103           2HG      GLU 103  13.031   9.204  11.446
  822    HG3  GLU 103           3HG      GLU 103  13.813  10.752  11.116
  823    H    GLY 104           H        GLY 104  16.961   6.493  11.200
  824    HA2  GLY 104           2HA      GLY 104  16.852   4.633  12.529
  825    HA3  GLY 104           3HA      GLY 104  15.724   5.448  13.613
  826    H    LYS 105           H        LYS 105  14.921   5.171  10.170
  827    HA   LYS 105           HA       LYS 105  12.534   3.604  10.617
  828    HB2  LYS 105           2HB      LYS 105  14.163   4.115   8.074
  829    HB3  LYS 105           3HB      LYS 105  12.644   3.235   8.102
  830    HG2  LYS 105           2HG      LYS 105  13.035   6.180   8.715
  831    HG3  LYS 105           3HG      LYS 105  12.225   5.439   7.335
  832    HD2  LYS 105           2HD      LYS 105  10.782   4.359   9.425
  833    HD3  LYS 105           3HD      LYS 105  11.250   5.909  10.117
  834    HE2  LYS 105           2HE      LYS 105   9.568   5.323   7.653
  835    HE3  LYS 105           3HE      LYS 105   9.085   6.104   9.152
  836    HZ1  LYS 105           3HZ      LYS 105   9.305   7.774   7.556
  837    HZ2  LYS 105           1HZ      LYS 105  10.641   7.967   8.500
  838    HZ3  LYS 105           2HZ      LYS 105  10.770   7.257   7.025
  839    H    ARG 106           H        ARG 106  15.805   2.694   9.630
  840    HA   ARG 106           HA       ARG 106  15.530   0.208  11.028
  841    HB2  ARG 106           2HB      ARG 106  14.939   0.083   8.240
  842    HB3  ARG 106           3HB      ARG 106  16.578  -0.521   8.352
  843    HG2  ARG 106           2HG      ARG 106  14.188  -1.566   9.942
  844    HG3  ARG 106           3HG      ARG 106  14.837  -2.289   8.466
  845    HD2  ARG 106           2HD      ARG 106  17.005  -2.693   9.612
  846    HD3  ARG 106           3HD      ARG 106  16.321  -2.020  11.112
  847    HE   ARG 106           HE       ARG 106  14.541  -4.030  10.364
  848   HH11  ARG 106          1HH2      ARG 106  17.940  -3.969  11.363
  849   HH12  ARG 106          2HH2      ARG 106  17.814  -5.590  11.999
  850   HH21  ARG 106          1HH1      ARG 106  14.469  -5.903  11.165
  851   HH22  ARG 106          2HH1      ARG 106  15.857  -6.704  11.917
  852    H    LYS 107           H        LYS 107  17.536  -0.795  11.469
  853    HA   LYS 107           HA       LYS 107  20.033   0.287  10.330
  854    HB2  LYS 107           2HB      LYS 107  21.107   0.502  12.518
  855    HB3  LYS 107           3HB      LYS 107  19.760   1.622  12.341
  856    HG2  LYS 107           2HG      LYS 107  18.351   0.307  13.810
  857    HG3  LYS 107           3HG      LYS 107  19.483  -1.050  13.790
  858    HD2  LYS 107           2HD      LYS 107  19.675   0.126  15.896
  859    HD3  LYS 107           3HD      LYS 107  21.171   0.282  14.969
  860    HE2  LYS 107           2HE      LYS 107  20.386   2.563  14.204
  861    HE3  LYS 107           3HE      LYS 107  18.984   2.395  15.276
  862    HZ1  LYS 107           3HZ      LYS 107  20.562   2.203  17.143
  863    HZ2  LYS 107           1HZ      LYS 107  21.838   2.341  16.118
  864    HZ3  LYS 107           2HZ      LYS 107  20.820   3.607  16.342
  865    H    GLY 108           H        GLY 108  21.898  -1.070  10.817
  866    HA2  GLY 108           2HA      GLY 108  21.762  -3.681  11.965
  867    HA3  GLY 108           3HA      GLY 108  21.481  -3.816  10.225
  868    H    ASP 109           H        ASP 109  23.668  -1.413  11.698
  869    HA   ASP 109           HA       ASP 109  26.052  -2.799  10.604
  870    HB2  ASP 109           2HB      ASP 109  24.938  -1.431   8.807
  871    HB3  ASP 109           3HB      ASP 109  25.218   0.008   9.783
  872    H    GLU 110           H        GLU 110  25.381  -2.421  13.309
  873    HA   GLU 110           HA       GLU 110  27.600  -0.656  14.249
  874    HB2  GLU 110           2HB      GLU 110  24.833  -0.868  15.507
  875    HB3  GLU 110           3HB      GLU 110  26.235  -0.083  16.241
  876    HG2  GLU 110           2HG      GLU 110  26.354   1.441  14.218
  877    HG3  GLU 110           3HG      GLU 110  24.796   0.780  13.706
  878    H    VAL 111           H        VAL 111  28.326  -1.176  16.446
  879    HA   VAL 111           HA       VAL 111  29.416  -2.569  17.824
  880    HB   VAL 111           HB       VAL 111  26.991  -4.381  17.875
  881   HG11  VAL 111          1HG1      VAL 111  29.019  -3.541  20.008
  882   HG12  VAL 111          2HG1      VAL 111  27.651  -4.651  20.240
  883   HG13  VAL 111          3HG1      VAL 111  28.991  -5.116  19.192
  884   HG21  VAL 111          3HG2      VAL 111  27.401  -1.721  19.314
  885   HG22  VAL 111          1HG2      VAL 111  26.125  -2.105  18.135
  886   HG23  VAL 111          2HG2      VAL 111  26.139  -2.913  19.699
  887    H    ASP 112           H        ASP 112  30.574  -2.815  15.670
  888    HA   ASP 112           HA       ASP 112  31.325  -5.668  15.339
  889    HB2  ASP 112           2HB      ASP 112  29.771  -5.169  13.500
  890    HB3  ASP 112           3HB      ASP 112  30.728  -3.765  13.043
  Start of MODEL   23
    1    H1   GLY   1           H1       GLY   1  14.539  11.197  20.450
    2    H2   GLY   1           H2       GLY   1  14.971   9.884  19.560
    3    H3   GLY   1           H3       GLY   1  15.068   9.831  21.198
    4    HA2  GLY   1           2HA      GLY   1  13.152   8.595  20.414
    5    HA3  GLY   1           3HA      GLY   1  12.682   9.987  21.412
    6    H    SER   2           H        SER   2  11.450   8.439  18.967
    7    HA   SER   2           HA       SER   2  11.118  10.214  16.797
    8    HB2  SER   2           2HB      SER   2   8.991   8.370  17.949
    9    HB3  SER   2           3HB      SER   2   9.105   8.959  16.283
   10    HG   SER   2           HG       SER   2  10.903   7.691  15.966
   11    H    LYS   3           H        LYS   3   9.830  11.976  16.405
   12    HA   LYS   3           HA       LYS   3   8.502  13.333  18.652
   13    HB2  LYS   3           2HB      LYS   3   8.941  14.189  15.765
   14    HB3  LYS   3           3HB      LYS   3   8.253  15.199  17.045
   15    HG2  LYS   3           2HG      LYS   3  10.350  14.973  18.363
   16    HG3  LYS   3           3HG      LYS   3  11.070  14.031  17.042
   17    HD2  LYS   3           2HD      LYS   3  10.770  15.953  15.501
   18    HD3  LYS   3           3HD      LYS   3  10.058  16.900  16.825
   19    HE2  LYS   3           2HE      LYS   3  12.163  16.659  18.125
   20    HE3  LYS   3           3HE      LYS   3  12.873  15.719  16.806
   21    HZ1  LYS   3           3HZ      LYS   3  12.644  17.682  15.375
   22    HZ2  LYS   3           1HZ      LYS   3  11.988  18.551  16.596
   23    HZ3  LYS   3           2HZ      LYS   3  13.538  18.052  16.688
   24    H    ALA   4           H        ALA   4   7.193  11.132  18.393
   25    HA   ALA   4           HA       ALA   4   5.412   9.896  17.926
   26    HB1  ALA   4           1HB      ALA   4   3.923  12.451  17.256
   27    HB2  ALA   4           2HB      ALA   4   3.217  10.864  17.608
   28    HB3  ALA   4           3HB      ALA   4   4.105  11.735  18.874
   29    H    GLU   5           H        GLU   5   4.747   8.564  16.337
   30    HA   GLU   5           HA       GLU   5   5.705   9.142  13.596
   31    HB2  GLU   5           2HB      GLU   5   4.749   6.592  14.936
   32    HB3  GLU   5           3HB      GLU   5   5.200   6.718  13.227
   33    HG2  GLU   5           2HG      GLU   5   7.468   7.461  13.837
   34    HG3  GLU   5           3HG      GLU   5   7.051   7.425  15.549
   35    H    LYS   6           H        LYS   6   4.454   9.082  11.750
   36    HA   LYS   6           HA       LYS   6   1.513   9.535  12.050
   37    HB2  LYS   6           2HB      LYS   6   3.448  11.533  10.794
   38    HB3  LYS   6           3HB      LYS   6   1.708  11.735  11.016
   39    HG2  LYS   6           2HG      LYS   6   2.053  11.720  13.502
   40    HG3  LYS   6           3HG      LYS   6   3.799  11.605  13.214
   41    HD2  LYS   6           2HD      LYS   6   3.633  13.771  11.874
   42    HD3  LYS   6           3HD      LYS   6   1.963  13.896  12.445
   43    HE2  LYS   6           2HE      LYS   6   3.280  15.225  13.931
   44    HE3  LYS   6           3HE      LYS   6   2.834  13.764  14.819
   45    HZ1  LYS   6           3HZ      LYS   6   5.074  12.873  14.284
   46    HZ2  LYS   6           1HZ      LYS   6   5.468  14.277  13.526
   47    HZ3  LYS   6           2HZ      LYS   6   5.184  14.232  15.140
   48    H    THR   7           H        THR   7   0.532  10.096   9.887
   49    HA   THR   7           HA       THR   7   1.744   8.567   7.608
   50    HB   THR   7           HB       THR   7  -1.045   9.715   7.815
   51    HG1  THR   7           1HG      THR   7  -0.686   8.070   9.344
   52   HG21  THR   7          1HG2      THR   7  -0.378   7.395   6.028
   53   HG22  THR   7          2HG2      THR   7  -1.614   8.666   5.861
   54   HG23  THR   7          3HG2      THR   7   0.048   8.980   5.458
   55    H    LEU   8           H        LEU   8   2.135   9.670   5.614
   56    HA   LEU   8           HA       LEU   8   2.427  12.576   5.768
   57    HB2  LEU   8           2HB      LEU   8   3.552  12.527   3.835
   58    HB3  LEU   8           3HB      LEU   8   3.852  10.891   4.388
   59    HG   LEU   8           HG       LEU   8   1.838  11.771   2.252
   60   HD11  LEU   8          1HD1      LEU   8   4.202  11.886   1.561
   61   HD12  LEU   8          2HD1      LEU   8   4.419  10.184   2.026
   62   HD13  LEU   8          3HD1      LEU   8   3.317  10.618   0.701
   63   HD21  LEU   8          3HD2      LEU   8   2.552   8.979   3.217
   64   HD22  LEU   8          1HD2      LEU   8   0.981   9.754   3.413
   65   HD23  LEU   8          2HD2      LEU   8   1.552   9.364   1.794
   66    H    GLY   9           H        GLY   9  -0.303  10.678   5.134
   67    HA2  GLY   9           2HA      GLY   9  -2.470  11.523   5.056
   68    HA3  GLY   9           3HA      GLY   9  -1.884  13.055   4.428
   69    H    ASP  10           H        ASP  10  -0.796  10.196   2.639
   70    HA   ASP  10           HA       ASP  10  -2.894  10.690   0.593
   71    HB2  ASP  10           2HB      ASP  10  -0.109  11.513   0.461
   72    HB3  ASP  10           3HB      ASP  10  -0.420  10.280  -0.757
   73    H    PHE  11           H        PHE  11  -1.082   8.247   2.238
   74    HA   PHE  11           HA       PHE  11  -2.458   6.280   0.580
   75    HB2  PHE  11           2HB      PHE  11  -0.237   4.941   0.375
   76    HB3  PHE  11           3HB      PHE  11  -0.709   6.140  -0.778
   77    HD1  PHE  11           HD1      PHE  11   1.405   6.054   2.390
   78    HD2  PHE  11           HD2      PHE  11   0.899   7.509  -1.642
   79    HE1  PHE  11           HE1      PHE  11   3.728   6.897   2.397
   80    HE2  PHE  11           HE2      PHE  11   3.193   8.439  -1.586
   81    HZ   PHE  11           HZ       PHE  11   4.626   8.100   0.422
   82    H    ALA  12           H        ALA  12  -2.493   4.149   1.369
   83    HA   ALA  12           HA       ALA  12  -2.364   3.950   4.346
   84    HB1  ALA  12           1HB      ALA  12  -4.749   3.266   2.587
   85    HB2  ALA  12           2HB      ALA  12  -4.670   3.163   4.352
   86    HB3  ALA  12           3HB      ALA  12  -4.600   4.746   3.543
   87    H    ALA  13           H        ALA  13  -2.506   1.815   5.224
   88    HA   ALA  13           HA       ALA  13  -2.019  -0.492   3.376
   89    HB1  ALA  13           1HB      ALA  13  -0.468   0.220   5.904
   90    HB2  ALA  13           2HB      ALA  13  -0.192  -1.179   4.825
   91    HB3  ALA  13           3HB      ALA  13   0.089   0.475   4.238
   92    H    GLU  14           H        GLU  14  -3.010  -2.387   3.964
   93    HA   GLU  14           HA       GLU  14  -4.240  -2.836   6.580
   94    HB2  GLU  14           2HB      GLU  14  -5.753  -1.283   5.061
   95    HB3  GLU  14           3HB      GLU  14  -6.033  -2.749   4.122
   96    HG2  GLU  14           2HG      GLU  14  -6.966  -3.840   6.172
   97    HG3  GLU  14           3HG      GLU  14  -6.560  -2.406   7.113
   98    H    TYR  15           H        TYR  15  -5.602  -5.037   6.272
   99    HA   TYR  15           HA       TYR  15  -4.170  -6.861   4.390
  100    HB2  TYR  15           2HB      TYR  15  -5.913  -7.504   6.770
  101    HB3  TYR  15           3HB      TYR  15  -5.262  -8.683   5.637
  102    HD1  TYR  15           HD2      TYR  15  -4.354  -6.181   8.231
  103    HD2  TYR  15           HD1      TYR  15  -2.905  -9.327   5.662
  104    HE1  TYR  15           HE2      TYR  15  -2.257  -6.310   9.555
  105    HE2  TYR  15           HE1      TYR  15  -0.748  -9.361   6.926
  106    HH   TYR  15           HH       TYR  15   0.473  -8.411   8.568
  107    H    ALA  16           H        ALA  16  -5.234  -8.012   2.845
  108    HA   ALA  16           HA       ALA  16  -7.564  -6.836   1.673
  109    HB1  ALA  16           1HB      ALA  16  -5.756  -7.853   0.404
  110    HB2  ALA  16           2HB      ALA  16  -6.112  -9.420   1.152
  111    HB3  ALA  16           3HB      ALA  16  -7.299  -8.673   0.054
  112    H    LYS  17           H        LYS  17  -9.454  -6.935   2.759
  113    HA   LYS  17           HA       LYS  17 -10.306  -9.136   4.413
  114    HB2  LYS  17           2HB      LYS  17 -11.873  -6.786   3.256
  115    HB3  LYS  17           3HB      LYS  17 -12.458  -7.898   4.502
  116    HG2  LYS  17           2HG      LYS  17 -10.566  -7.211   5.991
  117    HG3  LYS  17           3HG      LYS  17 -10.028  -6.069   4.756
  118    HD2  LYS  17           2HD      LYS  17 -11.240  -4.845   6.408
  119    HD3  LYS  17           3HD      LYS  17 -12.206  -4.865   4.926
  120    HE2  LYS  17           2HE      LYS  17 -13.611  -6.690   5.865
  121    HE3  LYS  17           3HE      LYS  17 -12.608  -6.724   7.320
  122    HZ1  LYS  17           3HZ      LYS  17 -13.317  -4.436   7.780
  123    HZ2  LYS  17           1HZ      LYS  17 -14.242  -4.403   6.432
  124    HZ3  LYS  17           2HZ      LYS  17 -14.621  -5.410   7.660
  125    H    SER  18           H        SER  18 -10.674  -8.559   1.007
  126    HA   SER  18           HA       SER  18 -11.835 -11.227   0.669
  127    HB2  SER  18           2HB      SER  18 -13.835  -9.718   0.869
  128    HB3  SER  18           3HB      SER  18 -13.263  -8.838  -0.570
  129    HG   SER  18           HG       SER  18 -14.805 -10.658  -0.878
  130    H    ASN  19           H        ASN  19 -11.590 -12.041  -1.438
  131    HA   ASN  19           HA       ASN  19  -9.339 -10.998  -2.942
  132    HB2  ASN  19           2HB      ASN  19  -9.862 -13.435  -2.448
  133    HB3  ASN  19           3HB      ASN  19 -11.198 -13.321  -3.593
  134   HD21  ASN  19          2HD2      ASN  19  -7.886 -11.875  -4.004
  135   HD22  ASN  19          1HD2      ASN  19  -7.342 -13.134  -5.101
  136    H    ARG  20           H        ARG  20 -12.455  -9.983  -2.899
  137    HA   ARG  20           HA       ARG  20 -12.773  -9.200  -5.710
  138    HB2  ARG  20           2HB      ARG  20 -14.097  -8.081  -3.198
  139    HB3  ARG  20           3HB      ARG  20 -14.610  -7.810  -4.859
  140    HG2  ARG  20           2HG      ARG  20 -14.738 -10.434  -3.326
  141    HG3  ARG  20           3HG      ARG  20 -16.083  -9.405  -3.823
  142    HD2  ARG  20           2HD      ARG  20 -15.475  -9.847  -6.212
  143    HD3  ARG  20           3HD      ARG  20 -14.205 -10.957  -5.642
  144    HE   ARG  20           HE       ARG  20 -16.653 -11.739  -4.441
  145   HH11  ARG  20          1HH2      ARG  20 -15.259 -11.750  -7.656
  146   HH12  ARG  20          2HH2      ARG  20 -16.208 -13.121  -8.161
  147   HH21  ARG  20          1HH1      ARG  20 -17.835 -13.481  -5.153
  148   HH22  ARG  20          2HH1      ARG  20 -17.628 -14.070  -6.775
  149    H    SER  21           H        SER  21 -10.710  -8.094  -3.233
  150    HA   SER  21           HA       SER  21 -10.353  -5.341  -4.126
  151    HB2  SER  21           2HB      SER  21  -8.362  -7.228  -2.800
  152    HB3  SER  21           3HB      SER  21  -8.207  -5.464  -2.964
  153    HG   SER  21           HG       SER  21 -10.049  -6.965  -1.415
  154    H    THR  22           H        THR  22  -8.832  -4.540  -5.718
  155    HA   THR  22           HA       THR  22  -7.358  -6.536  -7.356
  156    HB   THR  22           HB       THR  22  -9.196  -4.482  -8.573
  157    HG1  THR  22           1HG      THR  22 -10.497  -6.223  -9.156
  158   HG21  THR  22          1HG2      THR  22  -7.280  -5.107 -10.037
  159   HG22  THR  22          2HG2      THR  22  -7.746  -6.817  -9.879
  160   HG23  THR  22          3HG2      THR  22  -8.822  -5.666 -10.690
  161    H    CYS  23           HN       CYS  23  -5.500  -5.828  -8.099
  162    HA   CYS  23           HA       CYS  23  -4.441  -3.372  -7.027
  163    HB2  CYS  23           2HB      CYS  23  -3.190  -5.376  -6.862
  164    HB3  CYS  23           3HB      CYS  23  -3.448  -5.747  -8.565
  165    H    LYS  24           H        LYS  24  -4.758  -1.488  -8.067
  166    HA   LYS  24           HA       LYS  24  -5.081  -1.204 -10.962
  167    HB2  LYS  24           2HB      LYS  24  -4.710   0.697  -8.639
  168    HB3  LYS  24           3HB      LYS  24  -4.625   1.272 -10.302
  169    HG2  LYS  24           2HG      LYS  24  -6.859   1.580  -9.497
  170    HG3  LYS  24           3HG      LYS  24  -6.852   0.406 -10.802
  171    HD2  LYS  24           2HD      LYS  24  -7.213  -1.424  -9.244
  172    HD3  LYS  24           3HD      LYS  24  -6.978  -0.345  -7.847
  173    HE2  LYS  24           2HE      LYS  24  -8.985   0.936  -8.484
  174    HE3  LYS  24           3HE      LYS  24  -9.182  -0.045  -9.941
  175    HZ1  LYS  24           3HZ      LYS  24  -9.329  -1.117  -7.169
  176    HZ2  LYS  24           1HZ      LYS  24 -10.624  -0.798  -8.117
  177    HZ3  LYS  24           2HZ      LYS  24  -9.576  -1.976  -8.537
  178    H    GLY  25           H        GLY  25  -2.318  -1.783  -9.082
  179    HA2  GLY  25           2HA      GLY  25  -0.354  -0.385 -10.706
  180    HA3  GLY  25           3HA      GLY  25  -0.052  -1.682  -9.546
  181    H    CYS  26           HN       CYS  26  -1.750  -3.649 -10.824
  182    HA   CYS  26           HA       CYS  26  -0.477  -4.017 -13.483
  183    HB2  CYS  26           2HB      CYS  26   0.251  -6.232 -13.043
  184    HB3  CYS  26           3HB      CYS  26   0.927  -5.167 -11.809
  185    H    MET  27           H        MET  27  -3.395  -4.036 -11.923
  186    HA   MET  27           HA       MET  27  -5.457  -4.707 -12.361
  187    HB2  MET  27           2HB      MET  27  -4.524  -5.003 -15.222
  188    HB3  MET  27           3HB      MET  27  -6.207  -5.038 -14.710
  189    HG2  MET  27           2HG      MET  27  -4.510  -2.651 -13.967
  190    HG3  MET  27           3HG      MET  27  -5.063  -2.844 -15.616
  191    HE1  MET  27           3HE      MET  27  -7.920  -2.146 -12.020
  192    HE2  MET  27           1HE      MET  27  -7.470  -3.818 -12.408
  193    HE3  MET  27           2HE      MET  27  -6.220  -2.662 -11.899
  194    H    GLU  28           H        GLU  28  -4.273  -6.452 -10.959
  195    HA   GLU  28           HA       GLU  28  -5.641  -8.946 -11.790
  196    HB2  GLU  28           2HB      GLU  28  -2.816  -8.912 -10.647
  197    HB3  GLU  28           3HB      GLU  28  -3.873 -10.319 -10.719
  198    HG2  GLU  28           2HG      GLU  28  -4.024  -9.986 -13.233
  199    HG3  GLU  28           3HG      GLU  28  -2.753  -8.768 -13.079
  200    H    LYS  29           H        LYS  29  -6.325 -10.241  -9.987
  201    HA   LYS  29           HA       LYS  29  -7.452  -8.561  -7.950
  202    HB2  LYS  29           2HB      LYS  29  -8.540 -10.542  -7.133
  203    HB3  LYS  29           3HB      LYS  29  -8.653 -10.464  -8.891
  204    HG2  LYS  29           2HG      LYS  29  -6.713 -12.104  -9.013
  205    HG3  LYS  29           3HG      LYS  29  -6.804 -12.243  -7.244
  206    HD2  LYS  29           2HD      LYS  29  -9.256 -12.886  -7.538
  207    HD3  LYS  29           3HD      LYS  29  -8.949 -13.013  -9.269
  208    HE2  LYS  29           2HE      LYS  29  -7.503 -14.569  -7.070
  209    HE3  LYS  29           3HE      LYS  29  -8.834 -15.194  -8.043
  210    HZ1  LYS  29           3HZ      LYS  29  -6.719 -15.914  -8.943
  211    HZ2  LYS  29           1HZ      LYS  29  -7.424 -14.918 -10.024
  212    HZ3  LYS  29           2HZ      LYS  29  -6.178 -14.386  -9.101
  213    H    ILE  30           H        ILE  30  -6.975  -8.263  -5.881
  214    HA   ILE  30           HA       ILE  30  -4.342  -9.114  -4.888
  215    HB   ILE  30           HB       ILE  30  -6.461  -7.226  -3.865
  216   HG12  ILE  30          2HG1      ILE  30  -3.583  -6.644  -4.664
  217   HG13  ILE  30          3HG1      ILE  30  -4.892  -6.635  -5.837
  218   HG21  ILE  30          1HG2      ILE  30  -3.790  -7.890  -2.563
  219   HG22  ILE  30          2HG2      ILE  30  -4.899  -6.597  -2.078
  220   HG23  ILE  30          3HG2      ILE  30  -5.401  -8.269  -1.894
  221   HD11  ILE  30          3HD1      ILE  30  -6.053  -4.860  -4.582
  222   HD12  ILE  30          1HD1      ILE  30  -4.704  -4.806  -3.413
  223   HD13  ILE  30          2HD1      ILE  30  -4.430  -4.389  -5.108
  224    H    GLU  31           H        GLU  31  -3.949 -10.686  -3.451
  225    HA   GLU  31           HA       GLU  31  -6.008 -12.644  -2.999
  226    HB2  GLU  31           2HB      GLU  31  -3.131 -12.525  -2.066
  227    HB3  GLU  31           3HB      GLU  31  -4.193 -13.926  -1.893
  228    HG2  GLU  31           2HG      GLU  31  -3.343 -12.661  -4.535
  229    HG3  GLU  31           3HG      GLU  31  -2.638 -14.091  -3.800
  230    H    LYS  32           H        LYS  32  -7.083 -13.243  -1.272
  231    HA   LYS  32           HA       LYS  32  -7.572 -11.381   0.848
  232    HB2  LYS  32           2HB      LYS  32  -9.162 -13.007  -0.232
  233    HB3  LYS  32           3HB      LYS  32  -8.428 -14.309   0.690
  234    HG2  LYS  32           2HG      LYS  32  -9.603 -11.846   2.043
  235    HG3  LYS  32           3HG      LYS  32 -10.634 -13.151   1.468
  236    HD2  LYS  32           2HD      LYS  32  -9.481 -14.777   2.907
  237    HD3  LYS  32           3HD      LYS  32  -8.441 -13.492   3.552
  238    HE2  LYS  32           2HE      LYS  32 -10.432 -12.258   4.352
  239    HE3  LYS  32           3HE      LYS  32 -11.485 -13.513   3.692
  240    HZ1  LYS  32           3HZ      LYS  32 -11.098 -13.851   6.063
  241    HZ2  LYS  32           1HZ      LYS  32 -10.458 -15.100   5.235
  242    HZ3  LYS  32           2HZ      LYS  32  -9.484 -13.940   5.852
  243    H    GLY  33           H        GLY  33  -6.909 -11.259   2.923
  244    HA2  GLY  33           2HA      GLY  33  -5.957 -11.848   4.950
  245    HA3  GLY  33           3HA      GLY  33  -5.534 -13.432   4.307
  246    H    GLN  34           H        GLN  34  -4.175 -11.378   2.128
  247    HA   GLN  34           HA       GLN  34  -1.724 -10.682   3.725
  248    HB2  GLN  34           2HB      GLN  34  -0.356 -10.963   1.781
  249    HB3  GLN  34           3HB      GLN  34  -1.206 -12.459   2.109
  250    HG2  GLN  34           2HG      GLN  34  -1.202 -12.223  -0.249
  251    HG3  GLN  34           3HG      GLN  34  -2.838 -11.873   0.254
  252   HE21  GLN  34          1HE2      GLN  34  -3.677  -9.724  -0.238
  253   HE22  GLN  34          2HE2      GLN  34  -2.595  -8.426  -0.759
  254    H    VAL  35           H        VAL  35  -0.530  -8.801   2.784
  255    HA   VAL  35           HA       VAL  35  -2.391  -6.787   3.411
  256    HB   VAL  35           HB       VAL  35  -0.612  -5.309   3.430
  257   HG11  VAL  35          1HG1      VAL  35  -0.902  -6.714   5.349
  258   HG12  VAL  35          2HG1      VAL  35   0.257  -7.899   4.689
  259   HG13  VAL  35          3HG1      VAL  35   0.790  -6.263   5.131
  260   HG21  VAL  35          3HG2      VAL  35   0.693  -5.919   1.467
  261   HG22  VAL  35          1HG2      VAL  35   1.718  -5.872   2.905
  262   HG23  VAL  35          2HG2      VAL  35   1.191  -7.440   2.254
  263    H    ARG  36           H        ARG  36  -2.912  -4.867   2.443
  264    HA   ARG  36           HA       ARG  36  -2.491  -4.559  -0.475
  265    HB2  ARG  36           2HB      ARG  36  -4.797  -3.883  -0.841
  266    HB3  ARG  36           3HB      ARG  36  -4.694  -5.547  -0.266
  267    HG2  ARG  36           2HG      ARG  36  -5.486  -4.954   1.932
  268    HG3  ARG  36           3HG      ARG  36  -5.446  -3.236   1.548
  269    HD2  ARG  36           2HD      ARG  36  -7.134  -3.605  -0.253
  270    HD3  ARG  36           3HD      ARG  36  -7.230  -5.307   0.201
  271    HE   ARG  36           HE       ARG  36  -7.697  -3.699   2.527
  272   HH11  ARG  36          1HH2      ARG  36  -9.474  -4.601  -0.402
  273   HH12  ARG  36          2HH2      ARG  36 -10.939  -3.927   0.234
  274   HH21  ARG  36          1HH1      ARG  36  -9.604  -2.989   3.253
  275   HH22  ARG  36          2HH1      ARG  36 -11.042  -3.112   2.257
  276    H    LEU  37           H        LEU  37  -1.978  -2.529  -1.061
  277    HA   LEU  37           HA       LEU  37  -2.079  -0.412   1.027
  278    HB2  LEU  37           2HB      LEU  37  -0.230  -0.394  -1.367
  279    HB3  LEU  37           3HB      LEU  37  -0.263   0.665   0.074
  280    HG   LEU  37           HG       LEU  37   1.626  -0.540   0.328
  281   HD11  LEU  37          1HD1      LEU  37  -0.331  -2.106   2.029
  282   HD12  LEU  37          2HD1      LEU  37   1.377  -1.746   2.359
  283   HD13  LEU  37          3HD1      LEU  37   0.190  -0.430   2.304
  284   HD21  LEU  37          3HD2      LEU  37   0.205  -3.204  -0.119
  285   HD22  LEU  37          1HD2      LEU  37   1.187  -2.352  -1.333
  286   HD23  LEU  37          2HD2      LEU  37   1.924  -2.913   0.179
  287    H    SER  38           H        SER  38  -2.787   1.656   0.430
  288    HA   SER  38           HA       SER  38  -4.218   1.867  -2.174
  289    HB2  SER  38           2HB      SER  38  -5.948   1.590  -0.571
  290    HB3  SER  38           3HB      SER  38  -5.166   2.706   0.561
  291    HG   SER  38           HG       SER  38  -6.715   3.889  -0.394
  292    H    LYS  39           H        LYS  39  -4.114   3.808  -3.212
  293    HA   LYS  39           HA       LYS  39  -2.689   6.138  -1.935
  294    HB2  LYS  39           2HB      LYS  39  -1.622   5.531  -4.030
  295    HB3  LYS  39           3HB      LYS  39  -3.186   5.406  -4.829
  296    HG2  LYS  39           2HG      LYS  39  -2.384   7.351  -5.666
  297    HG3  LYS  39           3HG      LYS  39  -3.489   7.923  -4.420
  298    HD2  LYS  39           2HD      LYS  39  -1.668   8.549  -2.977
  299    HD3  LYS  39           3HD      LYS  39  -0.478   7.737  -4.029
  300    HE2  LYS  39           2HE      LYS  39  -1.025   9.226  -5.889
  301    HE3  LYS  39           3HE      LYS  39  -2.325   9.982  -4.965
  302    HZ1  LYS  39           3HZ      LYS  39   0.527  10.105  -4.151
  303    HZ2  LYS  39           1HZ      LYS  39  -0.233  11.287  -4.995
  304    HZ3  LYS  39           2HZ      LYS  39  -0.730  10.954  -3.484
  305    H    LYS  40           H        LYS  40  -3.976   7.750  -1.293
  306    HA   LYS  40           HA       LYS  40  -6.834   7.812  -2.114
  307    HB2  LYS  40           2HB      LYS  40  -6.518   7.831   0.188
  308    HB3  LYS  40           3HB      LYS  40  -5.269   9.045   0.136
  309    HG2  LYS  40           2HG      LYS  40  -8.166   9.579  -0.712
  310    HG3  LYS  40           3HG      LYS  40  -7.630   9.696   0.959
  311    HD2  LYS  40           2HD      LYS  40  -6.883  11.491  -1.345
  312    HD3  LYS  40           3HD      LYS  40  -7.640  11.912   0.188
  313    HE2  LYS  40           2HE      LYS  40  -5.503  11.417   1.379
  314    HE3  LYS  40           3HE      LYS  40  -4.776  10.944  -0.165
  315    HZ1  LYS  40           3HZ      LYS  40  -4.085  13.107   0.229
  316    HZ2  LYS  40           1HZ      LYS  40  -5.184  13.240  -0.943
  317    HZ3  LYS  40           2HZ      LYS  40  -5.594  13.673   0.594
  318    H    MET  41           H        MET  41  -7.289   8.900  -3.905
  319    HA   MET  41           HA       MET  41  -6.311  11.623  -4.313
  320    HB2  MET  41           2HB      MET  41  -5.288  11.298  -6.476
  321    HB3  MET  41           3HB      MET  41  -4.410  10.419  -5.231
  322    HG2  MET  41           2HG      MET  41  -5.525   8.310  -5.947
  323    HG3  MET  41           3HG      MET  41  -6.377   9.209  -7.210
  324    HE1  MET  41           3HE      MET  41  -4.867   6.669  -7.883
  325    HE2  MET  41           1HE      MET  41  -5.653   7.709  -9.096
  326    HE3  MET  41           2HE      MET  41  -3.982   7.137  -9.353
  327    H    VAL  42           H        VAL  42  -7.693  12.866  -5.612
  328    HA   VAL  42           HA       VAL  42 -10.141  11.863  -6.595
  329    HB   VAL  42           HB       VAL  42  -9.824  14.201  -6.132
  330   HG11  VAL  42          1HG1      VAL  42  -8.014  14.381  -8.572
  331   HG12  VAL  42          2HG1      VAL  42  -8.591  15.725  -7.570
  332   HG13  VAL  42          3HG1      VAL  42  -7.480  14.535  -6.884
  333   HG21  VAL  42          3HG2      VAL  42 -10.413  13.847  -9.078
  334   HG22  VAL  42          1HG2      VAL  42 -11.554  13.512  -7.749
  335   HG23  VAL  42          2HG2      VAL  42 -10.959  15.159  -8.014
  336    H    ASP  43           H        ASP  43 -10.795  10.926  -8.435
  337    HA   ASP  43           HA       ASP  43  -8.818   9.677 -10.146
  338    HB2  ASP  43           2HB      ASP  43 -10.982   8.635  -9.518
  339    HB3  ASP  43           3HB      ASP  43 -11.832   9.854 -10.466
  340    HA   PRO  44           HA       PRO  44  -8.446  13.194 -12.822
  341    HB2  PRO  44           2HB      PRO  44  -6.801  12.187 -14.787
  342    HB3  PRO  44           3HB      PRO  44  -6.253  12.492 -13.111
  343    HG2  PRO  44           2HG      PRO  44  -7.243   9.864 -14.286
  344    HG3  PRO  44           3HG      PRO  44  -5.729  10.159 -13.361
  345    HD2  PRO  44           2HD      PRO  44  -7.946   9.202 -12.166
  346    HD3  PRO  44           3HD      PRO  44  -6.910  10.407 -11.339
  347    H    GLU  45           H        GLU  45 -10.092  10.349 -13.905
  348    HA   GLU  45           HA       GLU  45 -11.151  11.786 -16.326
  349    HB2  GLU  45           2HB      GLU  45 -11.147   8.820 -15.648
  350    HB3  GLU  45           3HB      GLU  45 -11.932   9.557 -17.049
  351    HG2  GLU  45           2HG      GLU  45  -9.711  10.445 -17.799
  352    HG3  GLU  45           3HG      GLU  45  -8.939   9.574 -16.471
  353    H    LYS  46           H        LYS  46 -11.869  10.998 -13.134
  354    HA   LYS  46           HA       LYS  46 -14.761  11.646 -13.451
  355    HB2  LYS  46           2HB      LYS  46 -13.663   9.208 -11.996
  356    HB3  LYS  46           3HB      LYS  46 -15.308   9.829 -11.805
  357    HG2  LYS  46           2HG      LYS  46 -15.718   9.502 -14.229
  358    HG3  LYS  46           3HG      LYS  46 -14.132   8.720 -14.381
  359    HD2  LYS  46           2HD      LYS  46 -16.292   7.823 -12.427
  360    HD3  LYS  46           3HD      LYS  46 -16.118   7.166 -14.069
  361    HE2  LYS  46           2HE      LYS  46 -13.774   6.477 -13.524
  362    HE3  LYS  46           3HE      LYS  46 -14.003   7.049 -11.869
  363    HZ1  LYS  46           3HZ      LYS  46 -15.573   4.881 -13.163
  364    HZ2  LYS  46           1HZ      LYS  46 -14.413   4.663 -12.039
  365    HZ3  LYS  46           2HZ      LYS  46 -15.808   5.408 -11.635
  366    HA   PRO  47           HA       PRO  47 -12.539  13.665  -9.851
  367    HB2  PRO  47           2HB      PRO  47 -12.821  16.329 -10.497
  368    HB3  PRO  47           3HB      PRO  47 -11.445  15.301 -10.994
  369    HG2  PRO  47           2HG      PRO  47 -13.951  15.958 -12.588
  370    HG3  PRO  47           3HG      PRO  47 -12.242  16.028 -13.134
  371    HD2  PRO  47           2HD      PRO  47 -13.817  13.897 -13.692
  372    HD3  PRO  47           3HD      PRO  47 -12.088  13.691 -13.276
  373    H    GLN  48           H        GLN  48 -15.668  13.865 -11.286
  374    HA   GLN  48           HA       GLN  48 -17.127  15.245  -9.261
  375    HB2  GLN  48           2HB      GLN  48 -17.890  14.631 -11.567
  376    HB3  GLN  48           3HB      GLN  48 -18.016  12.942 -11.048
  377    HG2  GLN  48           2HG      GLN  48 -19.744  13.575  -9.390
  378    HG3  GLN  48           3HG      GLN  48 -19.539  15.280  -9.804
  379   HE21  GLN  48          2HE2      GLN  48 -22.048  14.727 -10.008
  380   HE22  GLN  48          1HE2      GLN  48 -22.545  14.330 -11.648
  381    H    LEU  49           H        LEU  49 -15.736  11.953  -9.267
  382    HA   LEU  49           HA       LEU  49 -17.090  10.861  -6.982
  383    HB2  LEU  49           2HB      LEU  49 -14.247  10.684  -8.079
  384    HB3  LEU  49           3HB      LEU  49 -14.743   9.765  -6.682
  385    HG   LEU  49           HG       LEU  49 -16.157   9.462  -9.355
  386   HD11  LEU  49          1HD1      LEU  49 -14.700   7.426  -9.562
  387   HD12  LEU  49          2HD1      LEU  49 -13.791   8.953  -9.614
  388   HD13  LEU  49          3HD1      LEU  49 -13.784   7.989  -8.136
  389   HD21  LEU  49          3HD2      LEU  49 -15.965   7.764  -6.819
  390   HD22  LEU  49          1HD2      LEU  49 -17.395   8.667  -7.358
  391   HD23  LEU  49          2HD2      LEU  49 -16.814   7.292  -8.313
  392    H    GLY  50           H        GLY  50 -14.537  13.311  -7.228
  393    HA2  GLY  50           2HA      GLY  50 -13.117  14.253  -5.652
  394    HA3  GLY  50           3HA      GLY  50 -14.077  13.551  -4.344
  395    H    MET  51           H        MET  51 -12.178  12.854  -3.388
  396    HA   MET  51           HA       MET  51 -10.151  11.298  -4.556
  397    HB2  MET  51           2HB      MET  51 -10.537  11.575  -1.582
  398    HB3  MET  51           3HB      MET  51  -9.052  11.457  -2.527
  399    HG2  MET  51           2HG      MET  51  -9.905  13.762  -3.563
  400    HG3  MET  51           3HG      MET  51 -10.901  13.812  -2.112
  401    HE1  MET  51           3HE      MET  51  -7.282  12.936  -3.187
  402    HE2  MET  51           1HE      MET  51  -7.667  14.554  -3.803
  403    HE3  MET  51           2HE      MET  51  -6.392  14.360  -2.579
  404    H    ILE  52           H        ILE  52  -9.845   9.176  -4.699
  405    HA   ILE  52           HA       ILE  52 -11.592   7.317  -3.166
  406    HB   ILE  52           HB       ILE  52 -11.352   5.760  -5.144
  407   HG12  ILE  52          2HG1      ILE  52 -10.722   8.234  -6.793
  408   HG13  ILE  52          3HG1      ILE  52  -9.439   7.188  -6.177
  409   HG21  ILE  52          1HG2      ILE  52 -12.922   8.303  -5.664
  410   HG22  ILE  52          2HG2      ILE  52 -13.247   6.671  -6.303
  411   HG23  ILE  52          3HG2      ILE  52 -13.409   6.981  -4.573
  412   HD11  ILE  52          3HD1      ILE  52 -10.380   5.250  -7.327
  413   HD12  ILE  52          1HD1      ILE  52 -11.697   6.263  -7.987
  414   HD13  ILE  52          2HD1      ILE  52 -10.014   6.591  -8.440
  415    H    ASP  53           H        ASP  53 -10.748   5.139  -3.030
  416    HA   ASP  53           HA       ASP  53  -7.899   5.131  -2.216
  417    HB2  ASP  53           2HB      ASP  53 -10.342   3.496  -1.451
  418    HB3  ASP  53           3HB      ASP  53  -8.724   2.866  -1.184
  419    H    ARG  54           H        ARG  54  -6.855   4.823  -4.075
  420    HA   ARG  54           HA       ARG  54  -7.493   2.726  -6.054
  421    HB2  ARG  54           2HB      ARG  54  -6.183   5.144  -6.217
  422    HB3  ARG  54           3HB      ARG  54  -4.817   4.059  -6.043
  423    HG2  ARG  54           2HG      ARG  54  -5.102   4.376  -8.323
  424    HG3  ARG  54           3HG      ARG  54  -5.659   2.740  -7.996
  425    HD2  ARG  54           2HD      ARG  54  -7.973   3.399  -8.277
  426    HD3  ARG  54           3HD      ARG  54  -7.574   5.113  -8.085
  427    HE   ARG  54           HE       ARG  54  -6.172   4.110 -10.363
  428   HH11  ARG  54          1HH2      ARG  54  -9.468   4.853  -9.494
  429   HH12  ARG  54          2HH2      ARG  54  -9.760   5.733 -10.976
  430   HH21  ARG  54          1HH1      ARG  54  -6.722   4.993 -12.369
  431   HH22  ARG  54          2HH1      ARG  54  -8.349   5.575 -12.608
  432    H    TRP  55           H        TRP  55  -7.260   0.656  -5.268
  433    HA   TRP  55           HA       TRP  55  -5.184  -0.019  -3.357
  434    HB2  TRP  55           2HB      TRP  55  -7.191  -1.759  -4.791
  435    HB3  TRP  55           3HB      TRP  55  -6.050  -2.342  -3.589
  436    HD1  TRP  55           HD1      TRP  55  -9.432  -0.933  -3.866
  437    HE1  TRP  55           HE1      TRP  55 -10.413  -0.378  -1.571
  438    HE3  TRP  55           HE3      TRP  55  -5.185  -1.363  -1.017
  439    HZ2  TRP  55           HZ2      TRP  55  -9.474  -0.043   1.137
  440    HZ3  TRP  55           HZ3      TRP  55  -5.249  -0.838   1.408
  441    HH2  TRP  55           HH2      TRP  55  -7.385  -0.197   2.498
  442    H    TYR  56           H        TYR  56  -3.480  -1.407  -3.519
  443    HA   TYR  56           HA       TYR  56  -2.424  -2.385  -6.106
  444    HB2  TYR  56           2HB      TYR  56  -0.967  -0.684  -4.030
  445    HB3  TYR  56           3HB      TYR  56  -0.224  -1.427  -5.439
  446    HD1  TYR  56           HD2      TYR  56  -0.991  -0.742  -7.733
  447    HD2  TYR  56           HD1      TYR  56  -2.053   1.468  -4.214
  448    HE1  TYR  56           HE2      TYR  56  -1.551   1.254  -9.159
  449    HE2  TYR  56           HE1      TYR  56  -2.632   3.427  -5.615
  450    HH   TYR  56           HH       TYR  56  -2.727   4.306  -7.746
  451    H    HIS  57           H        HIS  57  -0.821  -3.961  -5.886
  452    HA   HIS  57           HA       HIS  57  -0.851  -5.763  -3.571
  453    HB2  HIS  57           2HB      HIS  57   0.899  -5.694  -6.039
  454    HB3  HIS  57           3HB      HIS  57   1.100  -6.874  -4.773
  455    HD2  HIS  57           HD2      HIS  57  -1.303  -8.360  -4.191
  456    HE1  HIS  57           HE1      HIS  57  -2.441  -8.398  -8.284
  457    HE2  HIS  57           HE2      HIS  57  -2.774  -9.528  -6.060
  458    HA   PRO  58           HA       PRO  58   2.839  -4.040  -1.436
  459    HB2  PRO  58           2HB      PRO  58   4.065  -6.369  -0.591
  460    HB3  PRO  58           3HB      PRO  58   2.685  -5.576   0.216
  461    HG2  PRO  58           2HG      PRO  58   2.624  -7.874  -1.762
  462    HG3  PRO  58           3HG      PRO  58   1.745  -7.727  -0.205
  463    HD2  PRO  58           2HD      PRO  58   0.515  -7.198  -2.526
  464    HD3  PRO  58           3HD      PRO  58   0.225  -6.159  -1.102
  465    H    GLY  59           H        GLY  59   3.105  -6.347  -4.068
  466    HA2  GLY  59           2HA      GLY  59   5.944  -5.734  -4.613
  467    HA3  GLY  59           3HA      GLY  59   4.870  -6.766  -5.558
  468    H    CYS  60           HN       CYS  60   2.803  -4.495  -5.681
  469    HA   CYS  60           HA       CYS  60   3.992  -3.232  -8.079
  470    HB2  CYS  60           2HB      CYS  60   1.111  -3.395  -7.181
  471    HB3  CYS  60           3HB      CYS  60   1.708  -2.870  -8.762
  472    H    PHE  61           H        PHE  61   2.471  -2.229  -5.001
  473    HA   PHE  61           HA       PHE  61   2.352   0.534  -5.665
  474    HB2  PHE  61           2HB      PHE  61   1.675   0.863  -3.571
  475    HB3  PHE  61           3HB      PHE  61   1.481  -0.879  -3.580
  476    HD1  PHE  61           HD2      PHE  61   3.453  -2.295  -2.691
  477    HD2  PHE  61           HD1      PHE  61   3.108   1.928  -2.030
  478    HE1  PHE  61           HE2      PHE  61   4.851  -2.523  -0.638
  479    HE2  PHE  61           HE1      PHE  61   4.465   1.708   0.056
  480    HZ   PHE  61           HZ       PHE  61   5.301  -0.524   0.770
  481    H    VAL  62           H        VAL  62   5.076  -1.432  -4.564
  482    HA   VAL  62           HA       VAL  62   7.091   0.603  -4.476
  483    HB   VAL  62           HB       VAL  62   7.379  -2.299  -5.339
  484   HG11  VAL  62          1HG1      VAL  62   9.457  -0.298  -4.336
  485   HG12  VAL  62          2HG1      VAL  62   9.738  -2.031  -4.576
  486   HG13  VAL  62          3HG1      VAL  62   9.384  -1.010  -5.966
  487   HG21  VAL  62          3HG2      VAL  62   6.442  -2.141  -3.059
  488   HG22  VAL  62          1HG2      VAL  62   8.116  -2.697  -3.041
  489   HG23  VAL  62          2HG2      VAL  62   7.740  -1.020  -2.593
  490    H    LYS  63           H        LYS  63   5.877  -1.320  -7.287
  491    HA   LYS  63           HA       LYS  63   7.812  -0.265  -9.158
  492    HB2  LYS  63           2HB      LYS  63   5.106  -1.596  -9.597
  493    HB3  LYS  63           3HB      LYS  63   6.198  -1.126 -10.898
  494    HG2  LYS  63           2HG      LYS  63   7.985  -2.564  -9.917
  495    HG3  LYS  63           3HG      LYS  63   6.838  -3.150  -8.717
  496    HD2  LYS  63           2HD      LYS  63   6.551  -3.402 -11.745
  497    HD3  LYS  63           3HD      LYS  63   7.120  -4.687 -10.690
  498    HE2  LYS  63           2HE      LYS  63   4.362  -3.411 -10.407
  499    HE3  LYS  63           3HE      LYS  63   4.668  -4.783 -11.467
  500    HZ1  LYS  63           3HZ      LYS  63   3.865  -5.352  -9.184
  501    HZ2  LYS  63           1HZ      LYS  63   5.256  -6.125  -9.613
  502    HZ3  LYS  63           2HZ      LYS  63   5.298  -4.854  -8.572
  503    H    ASN  64           H        ASN  64   4.613   0.927  -8.188
  504    HA   ASN  64           HA       ASN  64   4.990   3.280  -9.980
  505    HB2  ASN  64           2HB      ASN  64   2.429   3.544  -9.002
  506    HB3  ASN  64           3HB      ASN  64   2.935   3.038 -10.589
  507   HD21  ASN  64          1HD2      ASN  64   1.647   1.898  -7.489
  508   HD22  ASN  64          2HD2      ASN  64   1.156   0.351  -8.170
  509    H    ARG  65           H        ARG  65   6.077   2.632  -6.989
  510    HA   ARG  65           HA       ARG  65   5.104   4.431  -5.218
  511    HB2  ARG  65           2HB      ARG  65   7.197   4.332  -4.101
  512    HB3  ARG  65           3HB      ARG  65   6.986   2.794  -4.904
  513    HG2  ARG  65           2HG      ARG  65   8.443   3.740  -6.811
  514    HG3  ARG  65           3HG      ARG  65   8.789   5.109  -5.739
  515    HD2  ARG  65           2HD      ARG  65   9.787   3.660  -4.096
  516    HD3  ARG  65           3HD      ARG  65   9.337   2.211  -5.007
  517    HE   ARG  65           HE       ARG  65  11.597   3.989  -5.484
  518   HH11  ARG  65          1HH2      ARG  65   9.528   1.658  -7.132
  519   HH12  ARG  65          2HH2      ARG  65  10.761   1.306  -8.316
  520   HH21  ARG  65          1HH1      ARG  65  13.083   3.487  -7.043
  521   HH22  ARG  65          2HH1      ARG  65  12.699   2.320  -8.272
  522    H    GLU  66           H        GLU  66   7.232   5.297  -7.882
  523    HA   GLU  66           HA       GLU  66   7.555   8.036  -7.002
  524    HB2  GLU  66           2HB      GLU  66   8.866   8.290  -9.069
  525    HB3  GLU  66           3HB      GLU  66   9.381   6.936  -8.053
  526    HG2  GLU  66           2HG      GLU  66   8.287   5.326  -9.524
  527    HG3  GLU  66           3HG      GLU  66   7.609   6.626 -10.512
  528    H    GLU  67           H        GLU  67   5.248   6.384  -8.976
  529    HA   GLU  67           HA       GLU  67   3.986   8.812 -10.040
  530    HB2  GLU  67           2HB      GLU  67   3.949   6.583 -11.234
  531    HB3  GLU  67           3HB      GLU  67   2.925   5.972  -9.938
  532    HG2  GLU  67           2HG      GLU  67   1.495   6.550 -11.727
  533    HG3  GLU  67           3HG      GLU  67   1.236   7.749 -10.472
  534    H    LEU  68           H        LEU  68   3.497   6.406  -7.405
  535    HA   LEU  68           HA       LEU  68   1.197   7.717  -6.255
  536    HB2  LEU  68           2HB      LEU  68   3.168   5.829  -4.916
  537    HB3  LEU  68           3HB      LEU  68   1.561   6.249  -4.343
  538    HG   LEU  68           HG       LEU  68   2.279   4.567  -6.766
  539   HD11  LEU  68          1HD1      LEU  68   2.342   3.417  -4.618
  540   HD12  LEU  68          2HD1      LEU  68   0.692   3.973  -4.251
  541   HD13  LEU  68          3HD1      LEU  68   0.975   2.846  -5.589
  542   HD21  LEU  68          3HD2      LEU  68   0.392   5.941  -7.466
  543   HD22  LEU  68          1HD2      LEU  68  -0.090   4.272  -7.203
  544   HD23  LEU  68          2HD2      LEU  68  -0.491   5.504  -5.986
  545    H    GLY  69           H        GLY  69   4.620   8.368  -5.910
  546    HA2  GLY  69           2HA      GLY  69   5.205  10.665  -5.497
  547    HA3  GLY  69           3HA      GLY  69   3.881  10.815  -4.347
  548    H    PHE  70           H        PHE  70   5.824   7.931  -4.034
  549    HA   PHE  70           HA       PHE  70   6.746   8.601  -1.386
  550    HB2  PHE  70           2HB      PHE  70   7.407   6.395  -3.351
  551    HB3  PHE  70           3HB      PHE  70   8.249   6.541  -1.828
  552    HD1  PHE  70           HD2      PHE  70   4.910   5.860  -3.326
  553    HD2  PHE  70           HD1      PHE  70   7.286   5.919   0.266
  554    HE1  PHE  70           HE2      PHE  70   3.172   4.526  -2.158
  555    HE2  PHE  70           HE1      PHE  70   5.549   4.587   1.436
  556    HZ   PHE  70           HZ       PHE  70   3.493   3.890   0.223
  557    H    ARG  71           H        ARG  71   8.623   9.265  -0.633
  558    HA   ARG  71           HA       ARG  71  11.090   9.434  -2.257
  559    HB2  ARG  71           2HB      ARG  71  10.005  11.631  -0.432
  560    HB3  ARG  71           3HB      ARG  71  11.624  11.616  -1.119
  561    HG2  ARG  71           2HG      ARG  71  10.730  11.798  -3.392
  562    HG3  ARG  71           3HG      ARG  71   9.065  11.725  -2.777
  563    HD2  ARG  71           2HD      ARG  71   9.441  13.730  -1.424
  564    HD3  ARG  71           3HD      ARG  71  11.093  13.868  -2.021
  565    HE   ARG  71           HE       ARG  71   8.607  14.564  -3.425
  566   HH11  ARG  71          1HH2      ARG  71  12.022  13.943  -3.933
  567   HH12  ARG  71          2HH2      ARG  71  12.033  14.774  -5.465
  568   HH21  ARG  71          1HH1      ARG  71   8.696  15.596  -5.382
  569   HH22  ARG  71          2HH1      ARG  71  10.198  15.684  -6.255
  570    HA   PRO  72           HA       PRO  72  12.894   7.452   1.259
  571    HB2  PRO  72           2HB      PRO  72  14.982   9.641   1.343
  572    HB3  PRO  72           3HB      PRO  72  15.207   7.864   1.419
  573    HG2  PRO  72           2HG      PRO  72  15.645   9.160  -0.906
  574    HG3  PRO  72           3HG      PRO  72  14.701   7.633  -0.919
  575    HD2  PRO  72           2HD      PRO  72  13.667  10.483  -0.977
  576    HD3  PRO  72           3HD      PRO  72  13.178   9.082  -1.978
  577    H    GLU  73           H        GLU  73  12.345  10.953   1.684
  578    HA   GLU  73           HA       GLU  73  12.520  10.919   4.562
  579    HB2  GLU  73           2HB      GLU  73  11.609  13.146   4.461
  580    HB3  GLU  73           3HB      GLU  73  12.829  12.939   3.207
  581    HG2  GLU  73           2HG      GLU  73  10.982  12.565   1.532
  582    HG3  GLU  73           3HG      GLU  73   9.806  12.901   2.804
  583    H    TYR  74           H        TYR  74  10.051   9.676   2.512
  584    HA   TYR  74           HA       TYR  74   8.451   9.027   4.853
  585    HB2  TYR  74           2HB      TYR  74   6.293   9.801   3.719
  586    HB3  TYR  74           3HB      TYR  74   7.299  10.932   4.588
  587    HD1  TYR  74           HD1      TYR  74   7.692   9.803   1.017
  588    HD2  TYR  74           HD2      TYR  74   6.721  12.992   3.744
  589    HE1  TYR  74           HE1      TYR  74   7.449  11.382  -0.900
  590    HE2  TYR  74           HE2      TYR  74   6.509  14.570   1.828
  591    HH   TYR  74           HH       TYR  74   6.851  13.473  -1.565
  592    H    SER  75           H        SER  75   9.667   7.150   4.112
  593    HA   SER  75           HA       SER  75   8.710   5.336   2.119
  594    HB2  SER  75           2HB      SER  75   9.859   3.690   3.610
  595    HB3  SER  75           3HB      SER  75  10.846   5.103   3.219
  596    HG   SER  75           HG       SER  75  10.818   4.503   5.513
  597    H    ALA  76           H        ALA  76   7.967   3.076   3.152
  598    HA   ALA  76           HA       ALA  76   5.246   3.071   3.527
  599    HB1  ALA  76           1HB      ALA  76   5.597   0.750   4.361
  600    HB2  ALA  76           2HB      ALA  76   6.562   1.103   2.919
  601    HB3  ALA  76           3HB      ALA  76   7.331   1.082   4.526
  602    H    SER  77           H        SER  77   7.511   3.743   6.173
  603    HA   SER  77           HA       SER  77   5.841   3.073   8.362
  604    HB2  SER  77           2HB      SER  77   7.768   5.422   8.125
  605    HB3  SER  77           3HB      SER  77   7.206   4.661   9.626
  606    HG   SER  77           HG       SER  77   9.306   3.945   8.936
  607    H    GLN  78           H        GLN  78   5.626   5.657   6.024
  608    HA   GLN  78           HA       GLN  78   3.784   7.218   7.640
  609    HB2  GLN  78           2HB      GLN  78   4.953   7.904   4.940
  610    HB3  GLN  78           3HB      GLN  78   4.162   8.995   6.074
  611    HG2  GLN  78           2HG      GLN  78   6.877   7.653   6.454
  612    HG3  GLN  78           3HG      GLN  78   6.558   9.341   6.110
  613   HE21  GLN  78          2HE2      GLN  78   5.507  10.700   7.779
  614   HE22  GLN  78          1HE2      GLN  78   5.742  10.226   9.454
  615    H    LEU  79           H        LEU  79   3.083   4.569   6.173
  616    HA   LEU  79           HA       LEU  79   0.701   5.396   4.601
  617    HB2  LEU  79           2HB      LEU  79   1.835   2.723   5.517
  618    HB3  LEU  79           3HB      LEU  79   0.295   2.863   4.697
  619    HG   LEU  79           HG       LEU  79   2.764   3.941   3.327
  620   HD11  LEU  79          1HD1      LEU  79   3.341   1.599   4.072
  621   HD12  LEU  79          2HD1      LEU  79   1.943   1.013   3.175
  622   HD13  LEU  79          3HD1      LEU  79   3.265   1.814   2.316
  623   HD21  LEU  79          3HD2      LEU  79   1.542   3.430   1.336
  624   HD22  LEU  79          1HD2      LEU  79   0.372   2.434   2.218
  625   HD23  LEU  79          2HD2      LEU  79   0.396   4.182   2.455
  626    H    LYS  80           H        LYS  80  -1.365   5.416   5.350
  627    HA   LYS  80           HA       LYS  80  -1.963   5.588   8.119
  628    HB2  LYS  80           2HB      LYS  80  -3.931   4.808   5.929
  629    HB3  LYS  80           3HB      LYS  80  -4.332   5.358   7.552
  630    HG2  LYS  80           2HG      LYS  80  -3.099   7.493   7.050
  631    HG3  LYS  80           3HG      LYS  80  -2.997   6.966   5.358
  632    HD2  LYS  80           2HD      LYS  80  -5.538   7.461   6.987
  633    HD3  LYS  80           3HD      LYS  80  -4.855   8.562   5.785
  634    HE2  LYS  80           2HE      LYS  80  -5.215   6.880   4.007
  635    HE3  LYS  80           3HE      LYS  80  -5.881   5.750   5.198
  636    HZ1  LYS  80           3HZ      LYS  80  -7.645   6.948   4.037
  637    HZ2  LYS  80           1HZ      LYS  80  -7.672   7.339   5.621
  638    HZ3  LYS  80           2HZ      LYS  80  -7.065   8.394   4.530
  639    H    GLY  81           H        GLY  81  -2.485   4.180   9.662
  640    HA2  GLY  81           2HA      GLY  81  -2.986   2.216  10.763
  641    HA3  GLY  81           3HA      GLY  81  -3.524   1.532   9.229
  642    H    PHE  82           H        PHE  82  -0.252   2.497   8.839
  643    HA   PHE  82           HA       PHE  82   0.721  -0.104   8.420
  644    HB2  PHE  82           2HB      PHE  82   1.847   1.731   7.460
  645    HB3  PHE  82           3HB      PHE  82   1.988   2.585   8.989
  646    HD1  PHE  82           HD2      PHE  82   3.683   2.066  10.615
  647    HD2  PHE  82           HD1      PHE  82   3.506  -0.020   6.849
  648    HE1  PHE  82           HE2      PHE  82   6.001   1.221  10.977
  649    HE2  PHE  82           HE1      PHE  82   5.831  -0.832   7.195
  650    HZ   PHE  82           HZ       PHE  82   7.068  -0.227   9.257
  651    H    SER  83           H        SER  83   1.032   1.950  11.350
  652    HA   SER  83           HA       SER  83   2.625   0.248  12.888
  653    HB2  SER  83           2HB      SER  83   0.447   2.182  13.776
  654    HB3  SER  83           3HB      SER  83   1.749   1.550  14.812
  655    HG   SER  83           HG       SER  83   2.269   3.609  13.927
  656    H    LEU  84           H        LEU  84  -0.749  -0.192  12.125
  657    HA   LEU  84           HA       LEU  84  -1.263  -2.018  14.402
  658    HB2  LEU  84           2HB      LEU  84  -3.016  -0.694  12.304
  659    HB3  LEU  84           3HB      LEU  84  -3.585  -2.032  13.278
  660    HG   LEU  84           HG       LEU  84  -3.212  -0.770  15.353
  661   HD11  LEU  84          1HD1      LEU  84  -1.487   0.838  14.799
  662   HD12  LEU  84          2HD1      LEU  84  -2.489   1.542  13.501
  663   HD13  LEU  84          3HD1      LEU  84  -2.950   1.726  15.208
  664   HD21  LEU  84          3HD2      LEU  84  -4.911   0.679  13.279
  665   HD22  LEU  84          1HD2      LEU  84  -5.396  -0.764  14.197
  666   HD23  LEU  84          2HD2      LEU  84  -5.109   0.763  15.045
  667    H    LEU  85           H        LEU  85   0.030  -2.353  11.281
  668    HA   LEU  85           HA       LEU  85  -1.050  -4.989  10.659
  669    HB2  LEU  85           2HB      LEU  85   1.254  -3.316   9.661
  670    HB3  LEU  85           3HB      LEU  85   1.252  -5.029   9.332
  671    HG   LEU  85           HG       LEU  85  -0.803  -4.913   8.091
  672   HD11  LEU  85          1HD1      LEU  85  -0.834  -1.931   8.669
  673   HD12  LEU  85          2HD1      LEU  85  -1.881  -2.771   7.506
  674   HD13  LEU  85          3HD1      LEU  85  -2.033  -3.117   9.231
  675   HD21  LEU  85          3HD2      LEU  85   1.097  -2.695   7.250
  676   HD22  LEU  85          1HD2      LEU  85   1.332  -4.430   6.951
  677   HD23  LEU  85          2HD2      LEU  85  -0.028  -3.585   6.197
  678    H    ALA  86           H        ALA  86   0.398  -6.950  10.607
  679    HA   ALA  86           HA       ALA  86   1.554  -7.528  13.200
  680    HB1  ALA  86           1HB      ALA  86   1.753  -9.039  10.560
  681    HB2  ALA  86           2HB      ALA  86   2.118  -9.679  12.175
  682    HB3  ALA  86           3HB      ALA  86   0.451  -9.229  11.752
  683    H    THR  87           H        THR  87   3.756  -7.803  13.734
  684    HA   THR  87           HA       THR  87   5.528  -5.846  12.907
  685    HB   THR  87           HB       THR  87   6.354  -8.543  14.017
  686    HG1  THR  87           1HG      THR  87   5.897  -7.632  16.033
  687   HG21  THR  87          1HG2      THR  87   7.491  -5.730  14.410
  688   HG22  THR  87          2HG2      THR  87   8.049  -7.193  15.254
  689   HG23  THR  87          3HG2      THR  87   8.263  -7.052  13.505
  690    H    GLU  88           H        GLU  88   5.387  -9.212  11.674
  691    HA   GLU  88           HA       GLU  88   7.739  -9.027  10.053
  692    HB2  GLU  88           2HB      GLU  88   6.968 -11.051   8.991
  693    HB3  GLU  88           3HB      GLU  88   6.764 -11.148  10.738
  694    HG2  GLU  88           2HG      GLU  88   4.316 -10.593  10.434
  695    HG3  GLU  88           3HG      GLU  88   4.564 -10.649   8.685
  696    H    ASP  89           H        ASP  89   4.391  -8.001   9.389
  697    HA   ASP  89           HA       ASP  89   4.978  -7.445   6.557
  698    HB2  ASP  89           2HB      ASP  89   2.579  -6.807   8.297
  699    HB3  ASP  89           3HB      ASP  89   2.719  -6.411   6.586
  700    H    LYS  90           H        LYS  90   4.787  -5.590   9.601
  701    HA   LYS  90           HA       LYS  90   5.209  -2.970   8.479
  702    HB2  LYS  90           2HB      LYS  90   5.847  -4.183  11.201
  703    HB3  LYS  90           3HB      LYS  90   6.125  -2.475  10.822
  704    HG2  LYS  90           2HG      LYS  90   3.849  -2.038  10.433
  705    HG3  LYS  90           3HG      LYS  90   3.419  -3.748  10.360
  706    HD2  LYS  90           2HD      LYS  90   2.624  -2.775  12.416
  707    HD3  LYS  90           3HD      LYS  90   3.818  -4.038  12.734
  708    HE2  LYS  90           2HE      LYS  90   5.535  -2.326  13.184
  709    HE3  LYS  90           3HE      LYS  90   4.389  -1.045  12.765
  710    HZ1  LYS  90           3HZ      LYS  90   4.088  -2.946  15.036
  711    HZ2  LYS  90           1HZ      LYS  90   4.468  -1.364  15.172
  712    HZ3  LYS  90           2HZ      LYS  90   2.981  -1.813  14.637
  713    H    GLU  91           H        GLU  91   7.540  -5.451   9.536
  714    HA   GLU  91           HA       GLU  91   9.889  -3.933   8.736
  715    HB2  GLU  91           2HB      GLU  91   9.427  -6.908   9.167
  716    HB3  GLU  91           3HB      GLU  91  11.002  -6.199   8.816
  717    HG2  GLU  91           2HG      GLU  91   9.304  -5.437  11.234
  718    HG3  GLU  91           3HG      GLU  91  10.562  -6.664  11.247
  719    H    ALA  92           H        ALA  92   7.920  -6.450   7.028
  720    HA   ALA  92           HA       ALA  92   9.543  -6.533   4.710
  721    HB1  ALA  92           1HB      ALA  92   6.565  -7.067   4.980
  722    HB2  ALA  92           2HB      ALA  92   7.605  -7.584   3.639
  723    HB3  ALA  92           3HB      ALA  92   7.878  -8.240   5.261
  724    H    LEU  93           H        LEU  93   6.751  -4.336   5.381
  725    HA   LEU  93           HA       LEU  93   6.737  -3.242   2.718
  726    HB2  LEU  93           2HB      LEU  93   5.628  -2.265   5.366
  727    HB3  LEU  93           3HB      LEU  93   5.368  -1.414   3.842
  728    HG   LEU  93           HG       LEU  93   4.521  -4.309   4.259
  729   HD11  LEU  93          1HD1      LEU  93   2.250  -3.395   4.539
  730   HD12  LEU  93          2HD1      LEU  93   3.336  -2.838   5.822
  731   HD13  LEU  93          3HD1      LEU  93   2.900  -1.739   4.491
  732   HD21  LEU  93          3HD2      LEU  93   3.068  -3.840   2.308
  733   HD22  LEU  93          1HD2      LEU  93   3.815  -2.237   2.142
  734   HD23  LEU  93          2HD2      LEU  93   4.779  -3.711   1.896
  735    H    LYS  94           H        LYS  94   8.528  -2.223   5.647
  736    HA   LYS  94           HA       LYS  94   9.791   0.061   4.407
  737    HB2  LYS  94           2HB      LYS  94  10.581  -1.722   6.746
  738    HB3  LYS  94           3HB      LYS  94  11.470  -0.277   6.252
  739    HG2  LYS  94           2HG      LYS  94   9.473   1.129   6.637
  740    HG3  LYS  94           3HG      LYS  94   8.556  -0.282   7.168
  741    HD2  LYS  94           2HD      LYS  94  11.084   0.785   8.504
  742    HD3  LYS  94           3HD      LYS  94   9.431   1.082   9.063
  743    HE2  LYS  94           2HE      LYS  94   9.065  -1.294   9.478
  744    HE3  LYS  94           3HE      LYS  94  10.633  -1.699   8.781
  745    HZ1  LYS  94           3HZ      LYS  94  11.693  -0.463  10.578
  746    HZ2  LYS  94           1HZ      LYS  94  10.258  -0.138  11.286
  747    HZ3  LYS  94           2HZ      LYS  94  10.784  -1.702  11.134
  748    H    LYS  95           H        LYS  95  10.687  -3.449   4.684
  749    HA   LYS  95           HA       LYS  95  13.124  -3.098   3.204
  750    HB2  LYS  95           2HB      LYS  95  11.402  -5.542   3.709
  751    HB3  LYS  95           3HB      LYS  95  12.900  -5.610   2.774
  752    HG2  LYS  95           2HG      LYS  95  14.167  -4.646   4.664
  753    HG3  LYS  95           3HG      LYS  95  12.713  -4.618   5.655
  754    HD2  LYS  95           2HD      LYS  95  14.024  -7.113   4.487
  755    HD3  LYS  95           3HD      LYS  95  14.191  -6.537   6.152
  756    HE2  LYS  95           2HE      LYS  95  11.722  -6.777   6.466
  757    HE3  LYS  95           3HE      LYS  95  11.595  -7.436   4.827
  758    HZ1  LYS  95           3HZ      LYS  95  13.058  -9.260   5.513
  759    HZ2  LYS  95           1HZ      LYS  95  13.172  -8.662   7.029
  760    HZ3  LYS  95           2HZ      LYS  95  11.741  -9.216   6.473
  761    H    GLN  96           H        GLN  96   9.845  -3.383   2.033
  762    HA   GLN  96           HA       GLN  96  10.497  -3.872  -0.729
  763    HB2  GLN  96           2HB      GLN  96   8.045  -3.014   0.828
  764    HB3  GLN  96           3HB      GLN  96   8.025  -2.935  -0.906
  765    HG2  GLN  96           2HG      GLN  96   8.623  -5.466   0.675
  766    HG3  GLN  96           3HG      GLN  96   7.060  -5.039  -0.018
  767   HE21  GLN  96          2HE2      GLN  96   6.874  -4.965  -2.435
  768   HE22  GLN  96          1HE2      GLN  96   8.052  -5.890  -3.368
  769    H    LEU  97           H        LEU  97   9.840  -0.824   1.091
  770    HA   LEU  97           HA       LEU  97  11.633   0.498  -0.786
  771    HB2  LEU  97           2HB      LEU  97  10.344   2.231  -1.577
  772    HB3  LEU  97           3HB      LEU  97   9.507   0.744  -1.936
  773    HG   LEU  97           HG       LEU  97   8.707   2.931   0.012
  774   HD11  LEU  97          1HD1      LEU  97   7.343   1.642  -2.377
  775   HD12  LEU  97          2HD1      LEU  97   6.692   2.956  -1.387
  776   HD13  LEU  97          3HD1      LEU  97   8.158   3.228  -2.337
  777   HD21  LEU  97          3HD2      LEU  97   7.414   0.194  -0.289
  778   HD22  LEU  97          1HD2      LEU  97   8.194   0.834   1.173
  779   HD23  LEU  97          2HD2      LEU  97   6.724   1.595   0.576
  780    HA   PRO  98           HA       PRO  98  12.118   1.698   3.539
  781    HB2  PRO  98           2HB      PRO  98  14.951   1.613   3.564
  782    HB3  PRO  98           3HB      PRO  98  13.816   0.330   4.055
  783    HG2  PRO  98           2HG      PRO  98  15.505   0.433   1.666
  784    HG3  PRO  98           3HG      PRO  98  14.517  -0.917   2.299
  785    HD2  PRO  98           2HD      PRO  98  13.933   0.881   0.087
  786    HD3  PRO  98           3HD      PRO  98  13.032  -0.556   0.645
  787    H    GLY  99           H        GLY  99  13.005   3.616   4.638
  788    HA2  GLY  99           2HA      GLY  99  14.203   5.779   2.955
  789    HA3  GLY  99           3HA      GLY  99  12.708   6.060   3.842
  790    H    VAL 100           H        VAL 100  13.725   7.743   4.968
  791    HA   VAL 100           HA       VAL 100  16.027   7.496   6.664
  792    HB   VAL 100           HB       VAL 100  13.618   9.366   6.845
  793   HG11  VAL 100          1HG1      VAL 100  16.343   9.539   8.218
  794   HG12  VAL 100          2HG1      VAL 100  15.131  10.840   8.173
  795   HG13  VAL 100          3HG1      VAL 100  14.763   9.340   9.015
  796   HG21  VAL 100          3HG2      VAL 100  14.896   9.628   4.736
  797   HG22  VAL 100          1HG2      VAL 100  15.126  11.021   5.794
  798   HG23  VAL 100          2HG2      VAL 100  16.401   9.788   5.662
  799    H    LYS 101           H        LYS 101  16.338   6.950   8.622
  800    HA   LYS 101           HA       LYS 101  14.875   4.758   9.576
  801    HB2  LYS 101           2HB      LYS 101  17.371   5.360   9.799
  802    HB3  LYS 101           3HB      LYS 101  16.915   6.334  11.209
  803    HG2  LYS 101           2HG      LYS 101  15.881   4.294  12.216
  804    HG3  LYS 101           3HG      LYS 101  16.366   3.378  10.768
  805    HD2  LYS 101           2HD      LYS 101  18.752   3.866  11.261
  806    HD3  LYS 101           3HD      LYS 101  18.272   4.779  12.706
  807    HE2  LYS 101           2HE      LYS 101  17.245   2.733  13.663
  808    HE3  LYS 101           3HE      LYS 101  17.695   1.822  12.215
  809    HZ1  LYS 101           3HZ      LYS 101  19.623   3.101  14.084
  810    HZ2  LYS 101           1HZ      LYS 101  19.316   1.500  13.995
  811    HZ3  LYS 101           2HZ      LYS 101  20.035   2.260  12.745
  812    H    SER 102           H        SER 102  15.012   8.023  10.966
  813    HA   SER 102           HA       SER 102  13.843   9.076  12.619
  814    HB2  SER 102           2HB      SER 102  11.594   7.736  11.097
  815    HB3  SER 102           3HB      SER 102  11.418   9.143  12.169
  816    HG   SER 102           HG       SER 102  11.660   9.764   9.980
  817    H    GLU 103           H        GLU 103  14.787   6.521  13.606
  818    HA   GLU 103           HA       GLU 103  14.539   4.945  15.209
  819    HB2  GLU 103           2HB      GLU 103  13.038   7.215  16.523
  820    HB3  GLU 103           3HB      GLU 103  13.463   5.711  17.338
  821    HG2  GLU 103           2HG      GLU 103  15.809   6.094  17.064
  822    HG3  GLU 103           3HG      GLU 103  15.531   7.470  15.993
  823    H    GLY 104           H        GLY 104  12.564   4.835  13.033
  824    HA2  GLY 104           2HA      GLY 104  10.094   3.721  14.063
  825    HA3  GLY 104           3HA      GLY 104  10.656   3.727  12.393
  826    H    LYS 105           H        LYS 105  12.593   2.332  14.939
  827    HA   LYS 105           HA       LYS 105  11.696  -0.437  14.588
  828    HB2  LYS 105           2HB      LYS 105  13.119  -0.163  12.585
  829    HB3  LYS 105           3HB      LYS 105  14.473   0.366  13.587
  830    HG2  LYS 105           2HG      LYS 105  14.607  -1.830  14.657
  831    HG3  LYS 105           3HG      LYS 105  13.124  -2.360  13.835
  832    HD2  LYS 105           2HD      LYS 105  14.235  -2.257  11.659
  833    HD3  LYS 105           3HD      LYS 105  15.664  -1.507  12.379
  834    HE2  LYS 105           2HE      LYS 105  16.132  -3.832  11.935
  835    HE3  LYS 105           3HE      LYS 105  16.130  -3.549  13.678
  836    HZ1  LYS 105           3HZ      LYS 105  13.846  -4.714  12.151
  837    HZ2  LYS 105           1HZ      LYS 105  14.918  -5.582  13.033
  838    HZ3  LYS 105           2HZ      LYS 105  13.913  -4.533  13.777
  839    H    ARG 106           H        ARG 106  14.382   1.584  15.733
  840    HA   ARG 106           HA       ARG 106  14.092   0.534  18.509
  841    HB2  ARG 106           2HB      ARG 106  15.949  -0.690  17.460
  842    HB3  ARG 106           3HB      ARG 106  16.676   0.809  16.903
  843    HG2  ARG 106           2HG      ARG 106  17.858  -0.160  18.807
  844    HG3  ARG 106           3HG      ARG 106  17.256   1.454  19.182
  845    HD2  ARG 106           2HD      ARG 106  15.585   0.627  20.637
  846    HD3  ARG 106           3HD      ARG 106  15.635  -0.990  19.932
  847    HE   ARG 106           HE       ARG 106  17.286  -1.585  21.392
  848   HH11  ARG 106          1HH2      ARG 106  17.225   1.953  21.493
  849   HH12  ARG 106          2HH2      ARG 106  18.454   1.976  22.743
  850   HH21  ARG 106          1HH1      ARG 106  18.610  -1.379  23.193
  851   HH22  ARG 106          2HH1      ARG 106  18.881   0.224  23.848
  852    H    LYS 107           H        LYS 107  13.845   2.145  19.885
  853    HA   LYS 107           HA       LYS 107  14.503   4.957  19.105
  854    HB2  LYS 107           2HB      LYS 107  12.614   3.727  21.130
  855    HB3  LYS 107           3HB      LYS 107  13.034   5.443  21.167
  856    HG2  LYS 107           2HG      LYS 107  12.057   5.870  19.063
  857    HG3  LYS 107           3HG      LYS 107  12.016   4.148  18.629
  858    HD2  LYS 107           2HD      LYS 107  10.241   3.729  20.253
  859    HD3  LYS 107           3HD      LYS 107  10.330   5.400  20.824
  860    HE2  LYS 107           2HE      LYS 107   8.429   5.119  19.306
  861    HE3  LYS 107           3HE      LYS 107   9.613   6.251  18.647
  862    HZ1  LYS 107           3HZ      LYS 107  10.410   4.514  17.168
  863    HZ2  LYS 107           1HZ      LYS 107   9.375   3.413  17.816
  864    HZ3  LYS 107           2HZ      LYS 107   8.794   4.687  16.972
  865    H    GLY 108           H        GLY 108  15.346   6.367  20.740
  866    HA2  GLY 108           2HA      GLY 108  17.883   5.504  21.605
  867    HA3  GLY 108           3HA      GLY 108  17.156   7.068  21.944
  868    H    ASP 109           H        ASP 109  16.213   3.842  23.131
  869    HA   ASP 109           HA       ASP 109  16.084   2.794  25.083
  870    HB2  ASP 109           2HB      ASP 109  18.439   4.546  25.849
  871    HB3  ASP 109           3HB      ASP 109  17.840   3.197  26.803
  872    H    GLU 110           H        GLU 110  15.852   6.284  25.524
  873    HA   GLU 110           HA       GLU 110  14.624   5.921  28.111
  874    HB2  GLU 110           2HB      GLU 110  14.881   8.398  26.356
  875    HB3  GLU 110           3HB      GLU 110  14.267   8.403  28.013
  876    HG2  GLU 110           2HG      GLU 110  16.438   7.433  28.801
  877    HG3  GLU 110           3HG      GLU 110  17.074   7.578  27.161
  878    H    VAL 111           H        VAL 111  13.351   5.949  24.940
  879    HA   VAL 111           HA       VAL 111  10.555   5.848  25.974
  880    HB   VAL 111           HB       VAL 111   9.730   7.102  24.038
  881   HG11  VAL 111          1HG1      VAL 111  10.169   8.261  26.180
  882   HG12  VAL 111          2HG1      VAL 111  11.782   8.718  25.590
  883   HG13  VAL 111          3HG1      VAL 111  10.329   9.318  24.767
  884   HG21  VAL 111          3HG2      VAL 111  11.212   8.437  22.636
  885   HG22  VAL 111          1HG2      VAL 111  12.650   7.758  23.432
  886   HG23  VAL 111          2HG2      VAL 111  11.592   6.722  22.445
  887    H    ASP 112           H        ASP 112  12.639   3.834  25.011
  888    HA   ASP 112           HA       ASP 112  11.377   2.616  22.640
  889    HB2  ASP 112           2HB      ASP 112  13.858   2.755  22.909
  890    HB3  ASP 112           3HB      ASP 112  13.745   1.660  24.278
  Start of MODEL   24
    1    H1   GLY   1           H1       GLY   1  -5.614  11.809  22.960
    2    H2   GLY   1           H2       GLY   1  -6.926  12.169  22.048
    3    H3   GLY   1           H3       GLY   1  -5.458  11.994  21.341
    4    HA2  GLY   1           2HA      GLY   1  -6.961   9.843  22.685
    5    HA3  GLY   1           3HA      GLY   1  -6.841  10.056  20.930
    6    H    SER   2           H        SER   2  -5.961   7.807  22.706
    7    HA   SER   2           HA       SER   2  -3.111   7.837  22.957
    8    HB2  SER   2           2HB      SER   2  -4.982   5.443  22.884
    9    HB3  SER   2           3HB      SER   2  -3.345   5.497  23.564
   10    HG   SER   2           HG       SER   2  -4.969   5.750  25.177
   11    H    LYS   3           H        LYS   3  -5.139   6.909  20.245
   12    HA   LYS   3           HA       LYS   3  -2.967   5.508  18.809
   13    HB2  LYS   3           2HB      LYS   3  -5.294   4.711  18.718
   14    HB3  LYS   3           3HB      LYS   3  -5.801   6.219  17.951
   15    HG2  LYS   3           2HG      LYS   3  -4.458   5.720  15.964
   16    HG3  LYS   3           3HG      LYS   3  -3.738   4.304  16.761
   17    HD2  LYS   3           2HD      LYS   3  -5.970   3.258  16.946
   18    HD3  LYS   3           3HD      LYS   3  -6.717   4.638  16.144
   19    HE2  LYS   3           2HE      LYS   3  -4.576   2.867  14.866
   20    HE3  LYS   3           3HE      LYS   3  -6.309   2.557  14.748
   21    HZ1  LYS   3           3HZ      LYS   3  -5.720   3.762  12.829
   22    HZ2  LYS   3           1HZ      LYS   3  -6.492   4.855  13.758
   23    HZ3  LYS   3           2HZ      LYS   3  -4.852   4.878  13.605
   24    H    ALA   4           H        ALA   4  -1.477   6.551  17.722
   25    HA   ALA   4           HA       ALA   4  -2.067   9.027  16.212
   26    HB1  ALA   4           1HB      ALA   4   0.176   8.778  18.267
   27    HB2  ALA   4           2HB      ALA   4  -0.084  10.148  17.166
   28    HB3  ALA   4           3HB      ALA   4  -1.280   9.789  18.427
   29    H    GLU   5           H        GLU   5  -0.765   9.338  14.425
   30    HA   GLU   5           HA       GLU   5   1.161   7.196  13.634
   31    HB2  GLU   5           2HB      GLU   5  -1.380   8.044  12.186
   32    HB3  GLU   5           3HB      GLU   5  -0.073   7.142  11.411
   33    HG2  GLU   5           2HG      GLU   5  -0.398   5.227  12.796
   34    HG3  GLU   5           3HG      GLU   5  -1.441   6.099  13.917
   35    H    LYS   6           H        LYS   6   2.599   7.755  11.986
   36    HA   LYS   6           HA       LYS   6   3.078  10.676  11.691
   37    HB2  LYS   6           2HB      LYS   6   4.950   8.317  11.261
   38    HB3  LYS   6           3HB      LYS   6   5.380  10.028  11.132
   39    HG2  LYS   6           2HG      LYS   6   4.705  10.345  13.541
   40    HG3  LYS   6           3HG      LYS   6   4.412   8.610  13.652
   41    HD2  LYS   6           2HD      LYS   6   6.580   9.024  14.580
   42    HD3  LYS   6           3HD      LYS   6   6.779   8.156  13.062
   43    HE2  LYS   6           2HE      LYS   6   8.482   9.835  13.175
   44    HE3  LYS   6           3HE      LYS   6   7.343  10.321  11.920
   45    HZ1  LYS   6           3HZ      LYS   6   7.953  12.178  13.377
   46    HZ2  LYS   6           1HZ      LYS   6   6.357  11.882  13.527
   47    HZ3  LYS   6           2HZ      LYS   6   7.395  11.398  14.695
   48    H    THR   7           H        THR   7   1.273   8.825   9.940
   49    HA   THR   7           HA       THR   7   2.151   8.573   7.342
   50    HB   THR   7           HB       THR   7  -0.627   9.480   8.106
   51    HG1  THR   7           1HG      THR   7  -1.041   7.428   8.715
   52   HG21  THR   7          1HG2      THR   7  -1.417   8.559   6.184
   53   HG22  THR   7          2HG2      THR   7   0.183   8.855   5.567
   54   HG23  THR   7          3HG2      THR   7  -0.190   7.264   6.149
   55    H    LEU   8           H        LEU   8   2.197   9.777   5.477
   56    HA   LEU   8           HA       LEU   8   2.230  12.687   5.712
   57    HB2  LEU   8           2HB      LEU   8   3.045  12.808   3.618
   58    HB3  LEU   8           3HB      LEU   8   3.585  11.206   4.085
   59    HG   LEU   8           HG       LEU   8   1.208  11.886   2.278
   60   HD11  LEU   8          1HD1      LEU   8   3.863  10.568   1.643
   61   HD12  LEU   8          2HD1      LEU   8   2.547  10.908   0.502
   62   HD13  LEU   8          3HD1      LEU   8   3.427  12.247   1.257
   63   HD21  LEU   8          3HD2      LEU   8   1.160   9.437   1.807
   64   HD22  LEU   8          1HD2      LEU   8   2.324   9.195   3.132
   65   HD23  LEU   8          2HD2      LEU   8   0.702   9.793   3.469
   66    H    GLY   9           H        GLY   9  -0.436  10.603   5.321
   67    HA2  GLY   9           2HA      GLY   9  -2.682  11.178   5.303
   68    HA3  GLY   9           3HA      GLY   9  -2.277  12.842   4.903
   69    H    ASP  10           H        ASP  10  -1.149  10.088   2.901
   70    HA   ASP  10           HA       ASP  10  -3.191  10.703   0.859
   71    HB2  ASP  10           2HB      ASP  10  -0.643  11.854   0.757
   72    HB3  ASP  10           3HB      ASP  10  -0.505  10.445  -0.296
   73    H    PHE  11           H        PHE  11  -1.271   8.248   2.362
   74    HA   PHE  11           HA       PHE  11  -2.585   6.275   0.666
   75    HB2  PHE  11           2HB      PHE  11  -0.328   5.039   0.353
   76    HB3  PHE  11           3HB      PHE  11  -0.838   6.283  -0.731
   77    HD1  PHE  11           HD2      PHE  11   1.263   6.158   2.450
   78    HD2  PHE  11           HD1      PHE  11   0.762   7.652  -1.569
   79    HE1  PHE  11           HE2      PHE  11   3.560   7.063   2.493
   80    HE2  PHE  11           HE1      PHE  11   3.026   8.649  -1.474
   81    HZ   PHE  11           HZ       PHE  11   4.436   8.328   0.551
   82    H    ALA  12           H        ALA  12  -2.496   4.101   1.424
   83    HA   ALA  12           HA       ALA  12  -2.319   3.880   4.390
   84    HB1  ALA  12           1HB      ALA  12  -4.739   3.250   2.662
   85    HB2  ALA  12           2HB      ALA  12  -4.630   3.088   4.425
   86    HB3  ALA  12           3HB      ALA  12  -4.566   4.697   3.670
   87    H    ALA  13           H        ALA  13  -2.511   1.750   5.235
   88    HA   ALA  13           HA       ALA  13  -1.970  -0.555   3.417
   89    HB1  ALA  13           1HB      ALA  13  -0.385   0.261   5.904
   90    HB2  ALA  13           2HB      ALA  13  -0.073  -1.151   4.859
   91    HB3  ALA  13           3HB      ALA  13   0.147   0.498   4.233
   92    H    GLU  14           H        GLU  14  -2.957  -2.487   4.067
   93    HA   GLU  14           HA       GLU  14  -3.714  -3.030   6.814
   94    HB2  GLU  14           2HB      GLU  14  -6.126  -3.222   6.407
   95    HB3  GLU  14           3HB      GLU  14  -5.577  -1.559   6.286
   96    HG2  GLU  14           2HG      GLU  14  -5.716  -1.612   3.854
   97    HG3  GLU  14           3HG      GLU  14  -6.042  -3.350   3.862
   98    H    TYR  15           H        TYR  15  -4.974  -5.208   6.871
   99    HA   TYR  15           HA       TYR  15  -4.054  -7.007   4.725
  100    HB2  TYR  15           2HB      TYR  15  -5.722  -7.545   7.193
  101    HB3  TYR  15           3HB      TYR  15  -5.129  -8.760   6.064
  102    HD1  TYR  15           HD1      TYR  15  -2.377  -8.094   5.506
  103    HD2  TYR  15           HD2      TYR  15  -4.514  -7.646   9.227
  104    HE1  TYR  15           HE1      TYR  15  -0.274  -8.506   6.771
  105    HE2  TYR  15           HE2      TYR  15  -2.381  -7.932  10.472
  106    HH   TYR  15           HH       TYR  15   0.668  -8.798   8.774
  107    H    ALA  16           H        ALA  16  -5.193  -7.813   3.119
  108    HA   ALA  16           HA       ALA  16  -7.383  -6.422   2.086
  109    HB1  ALA  16           1HB      ALA  16  -6.271  -9.147   1.409
  110    HB2  ALA  16           2HB      ALA  16  -7.328  -8.186   0.348
  111    HB3  ALA  16           3HB      ALA  16  -5.697  -7.601   0.757
  112    H    LYS  17           H        LYS  17  -9.467  -6.444   2.590
  113    HA   LYS  17           HA       LYS  17 -10.559  -8.412   4.392
  114    HB2  LYS  17           2HB      LYS  17 -11.964  -6.138   2.918
  115    HB3  LYS  17           3HB      LYS  17 -12.609  -7.064   4.278
  116    HG2  LYS  17           2HG      LYS  17 -10.621  -6.264   5.657
  117    HG3  LYS  17           3HG      LYS  17 -10.221  -5.170   4.320
  118    HD2  LYS  17           2HD      LYS  17 -12.541  -4.170   4.522
  119    HD3  LYS  17           3HD      LYS  17 -12.829  -5.242   5.897
  120    HE2  LYS  17           2HE      LYS  17 -12.227  -3.244   6.927
  121    HE3  LYS  17           3HE      LYS  17 -10.743  -4.199   6.986
  122    HZ1  LYS  17           3HZ      LYS  17 -10.295  -1.931   6.243
  123    HZ2  LYS  17           1HZ      LYS  17  -9.959  -2.926   5.016
  124    HZ3  LYS  17           2HZ      LYS  17 -11.350  -2.054   5.009
  125    H    SER  18           H        SER  18 -10.863  -7.998   0.894
  126    HA   SER  18           HA       SER  18 -12.071 -10.670   0.702
  127    HB2  SER  18           2HB      SER  18 -14.016  -9.117   0.863
  128    HB3  SER  18           3HB      SER  18 -13.440  -8.287  -0.601
  129    HG   SER  18           HG       SER  18 -15.032 -10.091  -0.827
  130    H    ASN  19           H        ASN  19 -11.811 -11.646  -1.292
  131    HA   ASN  19           HA       ASN  19  -9.627 -10.717  -2.969
  132    HB2  ASN  19           2HB      ASN  19  -9.893 -13.083  -2.364
  133    HB3  ASN  19           3HB      ASN  19 -11.482 -13.126  -3.133
  134   HD21  ASN  19          2HD2      ASN  19  -8.208 -11.934  -4.222
  135   HD22  ASN  19          1HD2      ASN  19  -8.218 -12.968  -5.643
  136    H    ARG  20           H        ARG  20 -12.810  -9.750  -2.923
  137    HA   ARG  20           HA       ARG  20 -13.324  -9.430  -5.767
  138    HB2  ARG  20           2HB      ARG  20 -14.304  -7.835  -3.354
  139    HB3  ARG  20           3HB      ARG  20 -14.929  -7.664  -4.991
  140    HG2  ARG  20           2HG      ARG  20 -15.142 -10.123  -3.213
  141    HG3  ARG  20           3HG      ARG  20 -16.441  -9.027  -3.660
  142    HD2  ARG  20           2HD      ARG  20 -14.927 -10.907  -5.515
  143    HD3  ARG  20           3HD      ARG  20 -16.556 -11.144  -4.875
  144    HE   ARG  20           HE       ARG  20 -16.650  -8.675  -6.185
  145   HH11  ARG  20          1HH2      ARG  20 -16.083 -11.988  -7.176
  146   HH12  ARG  20          2HH2      ARG  20 -16.693 -11.707  -8.783
  147   HH21  ARG  20          1HH1      ARG  20 -17.412  -8.386  -8.253
  148   HH22  ARG  20          2HH1      ARG  20 -17.428  -9.720  -9.368
  149    H    SER  21           H        SER  21 -11.373  -7.608  -3.490
  150    HA   SER  21           HA       SER  21 -11.135  -5.235  -5.127
  151    HB2  SER  21           2HB      SER  21  -9.490  -4.472  -3.558
  152    HB3  SER  21           3HB      SER  21 -10.882  -5.150  -2.712
  153    HG   SER  21           HG       SER  21  -9.623  -7.078  -2.372
  154    H    THR  22           H        THR  22  -9.087  -4.362  -6.065
  155    HA   THR  22           HA       THR  22  -7.517  -6.471  -7.444
  156    HB   THR  22           HB       THR  22  -9.060  -4.363  -8.920
  157    HG1  THR  22           1HG      THR  22 -10.582  -5.648  -8.043
  158   HG21  THR  22          1HG2      THR  22  -7.918  -6.968  -9.957
  159   HG22  THR  22          2HG2      THR  22  -8.719  -5.709 -10.906
  160   HG23  THR  22          3HG2      THR  22  -7.146  -5.377 -10.164
  161    H    CYS  23           HN       CYS  23  -5.537  -5.875  -8.016
  162    HA   CYS  23           HA       CYS  23  -4.480  -3.394  -6.994
  163    HB2  CYS  23           2HB      CYS  23  -3.258  -5.404  -6.738
  164    HB3  CYS  23           3HB      CYS  23  -3.494  -5.839  -8.431
  165    H    LYS  24           H        LYS  24  -4.627  -1.546  -8.066
  166    HA   LYS  24           HA       LYS  24  -4.911  -1.329 -10.985
  167    HB2  LYS  24           2HB      LYS  24  -4.810   0.544  -8.657
  168    HB3  LYS  24           3HB      LYS  24  -4.175   1.182 -10.167
  169    HG2  LYS  24           2HG      LYS  24  -6.514   1.707 -10.079
  170    HG3  LYS  24           3HG      LYS  24  -6.197   0.574 -11.377
  171    HD2  LYS  24           2HD      LYS  24  -8.255  -0.061 -10.343
  172    HD3  LYS  24           3HD      LYS  24  -7.067  -1.292  -9.911
  173    HE2  LYS  24           2HE      LYS  24  -6.729  -0.116  -7.703
  174    HE3  LYS  24           3HE      LYS  24  -8.000   1.033  -8.173
  175    HZ1  LYS  24           3HZ      LYS  24  -9.487  -0.974  -8.405
  176    HZ2  LYS  24           1HZ      LYS  24  -8.296  -1.877  -7.706
  177    HZ3  LYS  24           2HZ      LYS  24  -9.029  -0.678  -6.870
  178    H    GLY  25           H        GLY  25  -2.209  -1.864  -9.011
  179    HA2  GLY  25           2HA      GLY  25  -0.200  -0.532 -10.644
  180    HA3  GLY  25           3HA      GLY  25   0.077  -1.754  -9.404
  181    H    CYS  26           HN       CYS  26  -1.596  -3.773 -10.681
  182    HA   CYS  26           HA       CYS  26  -0.279  -4.221 -13.306
  183    HB2  CYS  26           2HB      CYS  26   0.377  -6.457 -12.835
  184    HB3  CYS  26           3HB      CYS  26   1.074  -5.393 -11.610
  185    H    MET  27           H        MET  27  -3.230  -4.183 -11.786
  186    HA   MET  27           HA       MET  27  -5.296  -4.724 -12.357
  187    HB2  MET  27           2HB      MET  27  -4.448  -3.692 -14.566
  188    HB3  MET  27           3HB      MET  27  -4.453  -5.340 -15.181
  189    HG2  MET  27           2HG      MET  27  -6.565  -4.823 -15.772
  190    HG3  MET  27           3HG      MET  27  -6.954  -5.277 -14.121
  191    HE1  MET  27           3HE      MET  27  -5.742  -2.572 -12.555
  192    HE2  MET  27           1HE      MET  27  -7.255  -1.648 -12.441
  193    HE3  MET  27           2HE      MET  27  -7.261  -3.398 -12.126
  194    H    GLU  28           H        GLU  28  -4.358  -6.599 -10.862
  195    HA   GLU  28           HA       GLU  28  -6.130  -8.710 -11.751
  196    HB2  GLU  28           2HB      GLU  28  -4.858 -10.611 -11.474
  197    HB3  GLU  28           3HB      GLU  28  -3.885  -9.565 -12.501
  198    HG2  GLU  28           2HG      GLU  28  -2.465  -8.996 -10.552
  199    HG3  GLU  28           3HG      GLU  28  -3.472 -10.002  -9.512
  200    H    LYS  29           H        LYS  29  -6.632 -10.278  -9.894
  201    HA   LYS  29           HA       LYS  29  -7.524  -8.363  -7.911
  202    HB2  LYS  29           2HB      LYS  29  -8.383 -11.233  -8.198
  203    HB3  LYS  29           3HB      LYS  29  -9.017 -10.005  -7.074
  204    HG2  LYS  29           2HG      LYS  29  -9.511  -8.549  -9.067
  205    HG3  LYS  29           3HG      LYS  29  -9.205  -9.944 -10.103
  206    HD2  LYS  29           2HD      LYS  29 -11.026 -11.180  -9.095
  207    HD3  LYS  29           3HD      LYS  29 -11.226  -9.987  -7.810
  208    HE2  LYS  29           2HE      LYS  29 -11.687  -9.392 -10.758
  209    HE3  LYS  29           3HE      LYS  29 -12.957  -9.867  -9.624
  210    HZ1  LYS  29           3HZ      LYS  29 -12.411  -7.876  -8.285
  211    HZ2  LYS  29           1HZ      LYS  29 -11.273  -7.428  -9.349
  212    HZ3  LYS  29           2HZ      LYS  29 -12.842  -7.454  -9.812
  213    H    ILE  30           H        ILE  30  -7.164  -8.147  -5.889
  214    HA   ILE  30           HA       ILE  30  -4.645  -9.130  -4.845
  215    HB   ILE  30           HB       ILE  30  -6.820  -7.271  -3.871
  216   HG12  ILE  30          2HG1      ILE  30  -3.872  -6.726  -4.457
  217   HG13  ILE  30          3HG1      ILE  30  -5.080  -6.717  -5.731
  218   HG21  ILE  30          1HG2      ILE  30  -5.474  -6.646  -1.960
  219   HG22  ILE  30          2HG2      ILE  30  -5.901  -8.339  -1.830
  220   HG23  ILE  30          3HG2      ILE  30  -4.255  -7.886  -2.345
  221   HD11  ILE  30          3HD1      ILE  30  -6.320  -4.916  -4.607
  222   HD12  ILE  30          1HD1      ILE  30  -5.068  -4.852  -3.336
  223   HD13  ILE  30          2HD1      ILE  30  -4.656  -4.469  -5.016
  224    H    GLU  31           H        GLU  31  -4.219 -10.613  -3.227
  225    HA   GLU  31           HA       GLU  31  -6.241 -12.655  -2.794
  226    HB2  GLU  31           2HB      GLU  31  -3.493 -12.435  -1.541
  227    HB3  GLU  31           3HB      GLU  31  -4.541 -13.856  -1.579
  228    HG2  GLU  31           2HG      GLU  31  -4.353 -13.693  -4.148
  229    HG3  GLU  31           3HG      GLU  31  -3.064 -12.506  -3.851
  230    H    LYS  32           H        LYS  32  -7.391 -13.092  -1.010
  231    HA   LYS  32           HA       LYS  32  -7.841 -11.021   0.970
  232    HB2  LYS  32           2HB      LYS  32  -9.552 -12.540  -0.056
  233    HB3  LYS  32           3HB      LYS  32  -8.930 -13.875   0.900
  234    HG2  LYS  32           2HG      LYS  32  -9.850 -11.299   2.225
  235    HG3  LYS  32           3HG      LYS  32 -11.030 -12.466   1.631
  236    HD2  LYS  32           2HD      LYS  32 -10.136 -14.223   3.072
  237    HD3  LYS  32           3HD      LYS  32  -8.909 -13.115   3.716
  238    HE2  LYS  32           2HE      LYS  32 -10.693 -11.593   4.524
  239    HE3  LYS  32           3HE      LYS  32 -11.923 -12.679   3.873
  240    HZ1  LYS  32           3HZ      LYS  32  -9.994 -13.392   6.022
  241    HZ2  LYS  32           1HZ      LYS  32 -11.578 -13.071   6.241
  242    HZ3  LYS  32           2HZ      LYS  32 -11.128 -14.400   5.412
  243    H    GLY  33           H        GLY  33  -7.296 -10.924   3.120
  244    HA2  GLY  33           2HA      GLY  33  -6.359 -11.483   5.145
  245    HA3  GLY  33           3HA      GLY  33  -6.157 -13.144   4.586
  246    H    GLN  34           H        GLN  34  -4.614 -10.821   2.570
  247    HA   GLN  34           HA       GLN  34  -2.071 -10.838   4.096
  248    HB2  GLN  34           2HB      GLN  34  -0.739 -11.246   2.121
  249    HB3  GLN  34           3HB      GLN  34  -1.819 -12.583   2.454
  250    HG2  GLN  34           2HG      GLN  34  -1.816 -12.338   0.098
  251    HG3  GLN  34           3HG      GLN  34  -3.363 -11.722   0.642
  252   HE21  GLN  34          1HE2      GLN  34  -3.905  -9.591  -0.074
  253   HE22  GLN  34          2HE2      GLN  34  -2.655  -8.433  -0.565
  254    H    VAL  35           H        VAL  35  -0.527  -9.076   3.062
  255    HA   VAL  35           HA       VAL  35  -1.890  -6.650   3.670
  256    HB   VAL  35           HB       VAL  35   0.860  -7.031   2.445
  257   HG11  VAL  35          1HG1      VAL  35   1.339  -4.784   3.419
  258   HG12  VAL  35          2HG1      VAL  35   0.164  -4.700   2.116
  259   HG13  VAL  35          3HG1      VAL  35  -0.385  -4.595   3.803
  260   HG21  VAL  35          3HG2      VAL  35   0.644  -8.117   4.658
  261   HG22  VAL  35          1HG2      VAL  35   1.670  -6.691   4.744
  262   HG23  VAL  35          2HG2      VAL  35   0.004  -6.602   5.342
  263    H    ARG  36           H        ARG  36  -2.785  -5.062   2.543
  264    HA   ARG  36           HA       ARG  36  -2.121  -4.712  -0.315
  265    HB2  ARG  36           2HB      ARG  36  -4.350  -4.168  -0.973
  266    HB3  ARG  36           3HB      ARG  36  -4.292  -5.808  -0.318
  267    HG2  ARG  36           2HG      ARG  36  -5.342  -5.083   1.765
  268    HG3  ARG  36           3HG      ARG  36  -5.258  -3.393   1.264
  269    HD2  ARG  36           2HD      ARG  36  -6.725  -3.921  -0.701
  270    HD3  ARG  36           3HD      ARG  36  -6.905  -5.567  -0.083
  271    HE   ARG  36           HE       ARG  36  -7.569  -3.599   1.947
  272   HH11  ARG  36          1HH2      ARG  36  -9.037  -5.058  -0.925
  273   HH12  ARG  36          2HH2      ARG  36 -10.623  -4.586  -0.384
  274   HH21  ARG  36          1HH1      ARG  36  -9.527  -3.150   2.532
  275   HH22  ARG  36          2HH1      ARG  36 -10.919  -3.479   1.499
  276    H    LEU  37           H        LEU  37  -1.970  -2.623  -0.991
  277    HA   LEU  37           HA       LEU  37  -2.085  -0.505   1.108
  278    HB2  LEU  37           2HB      LEU  37  -0.244  -0.507  -1.302
  279    HB3  LEU  37           3HB      LEU  37  -0.272   0.587   0.100
  280    HG   LEU  37           HG       LEU  37   1.636  -0.614   0.348
  281   HD11  LEU  37          1HD1      LEU  37   0.192  -0.433   2.336
  282   HD12  LEU  37          2HD1      LEU  37  -0.251  -2.139   2.156
  283   HD13  LEU  37          3HD1      LEU  37   1.444  -1.690   2.440
  284   HD21  LEU  37          3HD2      LEU  37   0.215  -3.296   0.062
  285   HD22  LEU  37          1HD2      LEU  37   1.156  -2.496  -1.213
  286   HD23  LEU  37          2HD2      LEU  37   1.933  -2.980   0.314
  287    H    SER  38           H        SER  38  -2.701   1.643   0.363
  288    HA   SER  38           HA       SER  38  -3.691   1.804  -2.391
  289    HB2  SER  38           2HB      SER  38  -5.841   2.820  -1.768
  290    HB3  SER  38           3HB      SER  38  -5.700   1.156  -1.212
  291    HG   SER  38           HG       SER  38  -6.510   2.396   0.465
  292    H    LYS  39           H        LYS  39  -4.025   3.832  -3.233
  293    HA   LYS  39           HA       LYS  39  -2.794   6.169  -1.791
  294    HB2  LYS  39           2HB      LYS  39  -1.662   5.607  -3.885
  295    HB3  LYS  39           3HB      LYS  39  -3.203   5.546  -4.730
  296    HG2  LYS  39           2HG      LYS  39  -2.454   7.533  -5.446
  297    HG3  LYS  39           3HG      LYS  39  -3.429   8.085  -4.087
  298    HD2  LYS  39           2HD      LYS  39  -1.474   8.524  -2.758
  299    HD3  LYS  39           3HD      LYS  39  -0.414   7.703  -3.936
  300    HE2  LYS  39           2HE      LYS  39  -0.986   9.321  -5.673
  301    HE3  LYS  39           3HE      LYS  39  -2.175  10.100  -4.620
  302    HZ1  LYS  39           3HZ      LYS  39  -0.028  11.283  -4.740
  303    HZ2  LYS  39           1HZ      LYS  39  -0.466  10.901  -3.224
  304    HZ3  LYS  39           2HZ      LYS  39   0.723  10.027  -4.004
  305    H    LYS  40           H        LYS  40  -4.149   7.710  -1.138
  306    HA   LYS  40           HA       LYS  40  -6.946   7.815  -2.164
  307    HB2  LYS  40           2HB      LYS  40  -6.938   7.834   0.144
  308    HB3  LYS  40           3HB      LYS  40  -5.623   8.968   0.276
  309    HG2  LYS  40           2HG      LYS  40  -8.331   9.715  -0.982
  310    HG3  LYS  40           3HG      LYS  40  -8.086   9.718   0.756
  311    HD2  LYS  40           2HD      LYS  40  -6.790  11.563  -1.260
  312    HD3  LYS  40           3HD      LYS  40  -7.864  11.970   0.078
  313    HE2  LYS  40           2HE      LYS  40  -6.101  11.191   1.675
  314    HE3  LYS  40           3HE      LYS  40  -5.054  10.842   0.277
  315    HZ1  LYS  40           3HZ      LYS  40  -6.021  13.585   0.730
  316    HZ2  LYS  40           1HZ      LYS  40  -4.674  12.986   1.463
  317    HZ3  LYS  40           2HZ      LYS  40  -4.702  13.035  -0.142
  318    H    MET  41           H        MET  41  -7.225   8.953  -3.946
  319    HA   MET  41           HA       MET  41  -6.112  11.656  -4.177
  320    HB2  MET  41           2HB      MET  41  -5.048  11.305  -6.364
  321    HB3  MET  41           3HB      MET  41  -4.235  10.416  -5.082
  322    HG2  MET  41           2HG      MET  41  -5.337   8.325  -5.805
  323    HG3  MET  41           3HG      MET  41  -6.198   9.205  -7.072
  324    HE1  MET  41           3HE      MET  41  -5.409   7.404  -8.777
  325    HE2  MET  41           1HE      MET  41  -3.706   6.983  -9.079
  326    HE3  MET  41           2HE      MET  41  -4.460   6.559  -7.528
  327    H    VAL  42           H        VAL  42  -7.466  13.016  -5.513
  328    HA   VAL  42           HA       VAL  42  -9.790  11.892  -6.700
  329    HB   VAL  42           HB       VAL  42 -10.003  14.117  -6.127
  330   HG11  VAL  42          1HG1      VAL  42  -7.683  14.883  -6.098
  331   HG12  VAL  42          2HG1      VAL  42  -7.642  14.864  -7.882
  332   HG13  VAL  42          3HG1      VAL  42  -8.713  15.984  -6.999
  333   HG21  VAL  42          3HG2      VAL  42 -11.146  13.494  -8.173
  334   HG22  VAL  42          1HG2      VAL  42 -10.778  15.220  -8.056
  335   HG23  VAL  42          2HG2      VAL  42  -9.798  14.185  -9.122
  336    H    ASP  43           H        ASP  43 -10.198  11.006  -8.619
  337    HA   ASP  43           HA       ASP  43  -8.051   9.880 -10.093
  338    HB2  ASP  43           2HB      ASP  43 -10.303   8.898  -9.768
  339    HB3  ASP  43           3HB      ASP  43 -10.987  10.132 -10.823
  340    HA   PRO  44           HA       PRO  44  -7.257  13.483 -12.623
  341    HB2  PRO  44           2HB      PRO  44  -5.287  12.499 -14.281
  342    HB3  PRO  44           3HB      PRO  44  -5.027  12.856 -12.546
  343    HG2  PRO  44           2HG      PRO  44  -5.727  10.172 -13.801
  344    HG3  PRO  44           3HG      PRO  44  -4.394  10.540 -12.652
  345    HD2  PRO  44           2HD      PRO  44  -6.736   9.523 -11.805
  346    HD3  PRO  44           3HD      PRO  44  -5.903  10.791 -10.852
  347    H    GLU  45           H        GLU  45  -8.593  10.554 -13.907
  348    HA   GLU  45           HA       GLU  45  -9.319  11.914 -16.488
  349    HB2  GLU  45           2HB      GLU  45  -9.345   8.964 -15.748
  350    HB3  GLU  45           3HB      GLU  45  -9.905   9.653 -17.275
  351    HG2  GLU  45           2HG      GLU  45  -7.605  10.597 -17.652
  352    HG3  GLU  45           3HG      GLU  45  -7.051   9.748 -16.208
  353    H    LYS  46           H        LYS  46 -10.520  11.209 -13.422
  354    HA   LYS  46           HA       LYS  46 -13.334  11.752 -14.227
  355    HB2  LYS  46           2HB      LYS  46 -12.466   9.371 -12.543
  356    HB3  LYS  46           3HB      LYS  46 -14.130   9.947 -12.688
  357    HG2  LYS  46           2HG      LYS  46 -14.102   9.505 -15.109
  358    HG3  LYS  46           3HG      LYS  46 -12.468   8.821 -14.973
  359    HD2  LYS  46           2HD      LYS  46 -14.838   7.841 -13.329
  360    HD3  LYS  46           3HD      LYS  46 -14.404   7.159 -14.913
  361    HE2  LYS  46           2HE      LYS  46 -12.113   6.640 -14.030
  362    HE3  LYS  46           3HE      LYS  46 -12.610   7.218 -12.439
  363    HZ1  LYS  46           3HZ      LYS  46 -12.836   4.811 -12.607
  364    HZ2  LYS  46           1HZ      LYS  46 -14.322   5.465 -12.422
  365    HZ3  LYS  46           2HZ      LYS  46 -13.838   4.929 -13.888
  366    HA   PRO  47           HA       PRO  47 -11.749  13.779 -10.314
  367    HB2  PRO  47           2HB      PRO  47 -11.924  16.450 -10.938
  368    HB3  PRO  47           3HB      PRO  47 -10.494  15.423 -11.244
  369    HG2  PRO  47           2HG      PRO  47 -12.736  16.121 -13.183
  370    HG3  PRO  47           3HG      PRO  47 -10.967  16.203 -13.470
  371    HD2  PRO  47           2HD      PRO  47 -12.438  14.075 -14.296
  372    HD3  PRO  47           3HD      PRO  47 -10.790  13.861 -13.632
  373    H    GLN  48           H        GLN  48 -14.626  13.942 -12.172
  374    HA   GLN  48           HA       GLN  48 -16.398  15.315 -10.409
  375    HB2  GLN  48           2HB      GLN  48 -16.806  14.630 -12.785
  376    HB3  GLN  48           3HB      GLN  48 -16.946  12.947 -12.251
  377    HG2  GLN  48           2HG      GLN  48 -18.913  13.544 -10.868
  378    HG3  GLN  48           3HG      GLN  48 -18.712  15.247 -11.292
  379   HE21  GLN  48          2HE2      GLN  48 -21.150  14.561 -11.828
  380   HE22  GLN  48          1HE2      GLN  48 -21.391  14.128 -13.516
  381    H    LEU  49           H        LEU  49 -14.966  12.040 -10.188
  382    HA   LEU  49           HA       LEU  49 -16.583  10.958  -8.083
  383    HB2  LEU  49           2HB      LEU  49 -13.624  10.802  -8.813
  384    HB3  LEU  49           3HB      LEU  49 -14.279   9.892  -7.477
  385    HG   LEU  49           HG       LEU  49 -15.331   9.543 -10.308
  386   HD11  LEU  49          1HD1      LEU  49 -13.152   8.106  -8.735
  387   HD12  LEU  49          2HD1      LEU  49 -13.857   7.508 -10.265
  388   HD13  LEU  49          3HD1      LEU  49 -12.954   9.039 -10.222
  389   HD21  LEU  49          3HD2      LEU  49 -16.840   8.780  -8.498
  390   HD22  LEU  49          1HD2      LEU  49 -16.117   7.383  -9.312
  391   HD23  LEU  49          2HD2      LEU  49 -15.501   7.912  -7.725
  392    H    GLY  50           H        GLY  50 -14.007  13.404  -7.996
  393    HA2  GLY  50           2HA      GLY  50 -12.816  14.348  -6.241
  394    HA3  GLY  50           3HA      GLY  50 -13.962  13.670  -5.081
  395    H    MET  51           H        MET  51 -12.181  13.040  -3.867
  396    HA   MET  51           HA       MET  51  -9.981  11.491  -4.631
  397    HB2  MET  51           2HB      MET  51 -11.032  11.818  -1.823
  398    HB3  MET  51           3HB      MET  51  -9.368  11.600  -2.332
  399    HG2  MET  51           2HG      MET  51 -11.094  14.079  -2.843
  400    HG3  MET  51           3HG      MET  51  -9.931  13.908  -1.541
  401    HE1  MET  51           3HE      MET  51  -6.542  14.104  -3.490
  402    HE2  MET  51           1HE      MET  51  -7.304  14.038  -1.878
  403    HE3  MET  51           2HE      MET  51  -7.454  12.657  -2.998
  404    H    ILE  52           H        ILE  52  -9.766   9.374  -4.926
  405    HA   ILE  52           HA       ILE  52 -11.608   7.492  -3.560
  406    HB   ILE  52           HB       ILE  52 -11.331   6.004  -5.618
  407   HG12  ILE  52          2HG1      ILE  52 -11.145   7.143  -7.798
  408   HG13  ILE  52          3HG1      ILE  52 -10.622   8.630  -7.016
  409   HG21  ILE  52          1HG2      ILE  52 -12.955   8.547  -5.912
  410   HG22  ILE  52          2HG2      ILE  52 -13.260   6.968  -6.680
  411   HG23  ILE  52          3HG2      ILE  52 -13.400   7.132  -4.926
  412   HD11  ILE  52          3HD1      ILE  52  -9.159   5.964  -6.830
  413   HD12  ILE  52          1HD1      ILE  52  -8.773   7.250  -8.006
  414   HD13  ILE  52          2HD1      ILE  52  -8.545   7.534  -6.286
  415    H    ASP  53           H        ASP  53 -10.778   5.253  -3.463
  416    HA   ASP  53           HA       ASP  53  -7.973   5.298  -2.462
  417    HB2  ASP  53           2HB      ASP  53 -10.319   3.495  -1.765
  418    HB3  ASP  53           3HB      ASP  53  -8.687   3.358  -1.113
  419    H    ARG  54           H        ARG  54  -6.873   4.881  -4.291
  420    HA   ARG  54           HA       ARG  54  -7.476   2.658  -6.121
  421    HB2  ARG  54           2HB      ARG  54  -6.089   5.071  -6.333
  422    HB3  ARG  54           3HB      ARG  54  -4.773   3.938  -6.182
  423    HG2  ARG  54           2HG      ARG  54  -5.159   4.268  -8.479
  424    HG3  ARG  54           3HG      ARG  54  -5.714   2.631  -8.117
  425    HD2  ARG  54           2HD      ARG  54  -8.010   3.264  -8.357
  426    HD3  ARG  54           3HD      ARG  54  -7.651   4.947  -7.966
  427    HE   ARG  54           HE       ARG  54  -6.401   4.227 -10.455
  428   HH11  ARG  54          1HH2      ARG  54  -9.584   5.088  -9.188
  429   HH12  ARG  54          2HH2      ARG  54  -9.894   6.110 -10.597
  430   HH21  ARG  54          1HH1      ARG  54  -7.064   5.485 -12.254
  431   HH22  ARG  54          2HH1      ARG  54  -8.638   6.271 -12.155
  432    H    TRP  55           H        TRP  55  -7.172   0.590  -5.336
  433    HA   TRP  55           HA       TRP  55  -5.106   0.006  -3.362
  434    HB2  TRP  55           2HB      TRP  55  -7.118  -1.807  -4.714
  435    HB3  TRP  55           3HB      TRP  55  -6.005  -2.301  -3.449
  436    HD1  TRP  55           HD1      TRP  55  -9.308  -0.596  -3.953
  437    HE1  TRP  55           HE1      TRP  55 -10.358   0.051  -1.713
  438    HE3  TRP  55           HE3      TRP  55  -5.329  -1.592  -0.855
  439    HZ2  TRP  55           HZ2      TRP  55  -9.555   0.239   1.045
  440    HZ3  TRP  55           HZ3      TRP  55  -5.475  -1.050   1.556
  441    HH2  TRP  55           HH2      TRP  55  -7.577  -0.138   2.520
  442    H    TYR  56           H        TYR  56  -3.462  -1.468  -3.482
  443    HA   TYR  56           HA       TYR  56  -2.372  -2.459  -6.047
  444    HB2  TYR  56           2HB      TYR  56  -0.931  -0.730  -3.986
  445    HB3  TYR  56           3HB      TYR  56  -0.192  -1.459  -5.405
  446    HD1  TYR  56           HD1      TYR  56  -0.954  -0.745  -7.688
  447    HD2  TYR  56           HD2      TYR  56  -2.028   1.417  -4.141
  448    HE1  TYR  56           HE1      TYR  56  -1.578   1.229  -9.096
  449    HE2  TYR  56           HE2      TYR  56  -2.657   3.383  -5.534
  450    HH   TYR  56           HH       TYR  56  -2.441   3.338  -9.112
  451    H    HIS  57           H        HIS  57  -0.789  -4.070  -5.790
  452    HA   HIS  57           HA       HIS  57  -0.792  -5.769  -3.408
  453    HB2  HIS  57           2HB      HIS  57   0.960  -5.819  -5.867
  454    HB3  HIS  57           3HB      HIS  57   1.112  -6.965  -4.569
  455    HD2  HIS  57           HD2      HIS  57  -1.279  -8.397  -3.960
  456    HE1  HIS  57           HE1      HIS  57  -2.512  -8.457  -8.029
  457    HE2  HIS  57           HE2      HIS  57  -2.805  -9.557  -5.774
  458    HA   PRO  58           HA       PRO  58   2.839  -4.095  -1.236
  459    HB2  PRO  58           2HB      PRO  58   3.765  -6.957  -1.082
  460    HB3  PRO  58           3HB      PRO  58   3.686  -5.722   0.216
  461    HG2  PRO  58           2HG      PRO  58   1.767  -7.609   0.075
  462    HG3  PRO  58           3HG      PRO  58   1.295  -5.892   0.323
  463    HD2  PRO  58           2HD      PRO  58   1.328  -7.463  -2.269
  464    HD3  PRO  58           3HD      PRO  58   0.026  -6.446  -1.585
  465    H    GLY  59           H        GLY  59   3.435  -6.252  -3.962
  466    HA2  GLY  59           2HA      GLY  59   6.208  -5.289  -4.365
  467    HA3  GLY  59           3HA      GLY  59   5.269  -6.328  -5.445
  468    H    CYS  60           HN       CYS  60   3.000  -4.876  -5.943
  469    HA   CYS  60           HA       CYS  60   3.954  -3.249  -7.976
  470    HB2  CYS  60           2HB      CYS  60   1.123  -3.483  -6.925
  471    HB3  CYS  60           3HB      CYS  60   1.601  -2.931  -8.535
  472    H    PHE  61           H        PHE  61   2.473  -2.241  -4.859
  473    HA   PHE  61           HA       PHE  61   2.181   0.496  -5.614
  474    HB2  PHE  61           2HB      PHE  61   1.493   0.853  -3.522
  475    HB3  PHE  61           3HB      PHE  61   1.416  -0.902  -3.465
  476    HD1  PHE  61           HD1      PHE  61   3.277  -2.185  -2.419
  477    HD2  PHE  61           HD2      PHE  61   3.122   2.093  -2.243
  478    HE1  PHE  61           HE1      PHE  61   4.751  -2.231  -0.394
  479    HE2  PHE  61           HE2      PHE  61   4.598   2.071  -0.220
  480    HZ   PHE  61           HZ       PHE  61   5.394  -0.094   0.711
  481    H    VAL  62           H        VAL  62   5.014  -1.267  -4.353
  482    HA   VAL  62           HA       VAL  62   6.784   1.023  -4.351
  483    HB   VAL  62           HB       VAL  62   7.575  -1.889  -4.637
  484   HG11  VAL  62          1HG1      VAL  62   9.121   0.571  -3.704
  485   HG12  VAL  62          2HG1      VAL  62   9.709  -1.104  -3.651
  486   HG13  VAL  62          3HG1      VAL  62   9.403  -0.336  -5.207
  487   HG21  VAL  62          3HG2      VAL  62   8.005  -1.645  -2.132
  488   HG22  VAL  62          1HG2      VAL  62   7.047  -0.155  -2.189
  489   HG23  VAL  62          2HG2      VAL  62   6.315  -1.717  -2.612
  490    H    LYS  63           H        LYS  63   5.986  -1.409  -6.820
  491    HA   LYS  63           HA       LYS  63   7.844  -0.600  -8.809
  492    HB2  LYS  63           2HB      LYS  63   6.541  -2.728  -8.648
  493    HB3  LYS  63           3HB      LYS  63   5.090  -1.816  -9.076
  494    HG2  LYS  63           2HG      LYS  63   5.863  -1.449 -11.328
  495    HG3  LYS  63           3HG      LYS  63   7.458  -2.121 -10.932
  496    HD2  LYS  63           2HD      LYS  63   6.105  -3.803 -12.118
  497    HD3  LYS  63           3HD      LYS  63   6.455  -4.311 -10.466
  498    HE2  LYS  63           2HE      LYS  63   4.075  -3.172  -9.971
  499    HE3  LYS  63           3HE      LYS  63   3.818  -3.427 -11.688
  500    HZ1  LYS  63           3HZ      LYS  63   4.021  -5.772 -11.346
  501    HZ2  LYS  63           1HZ      LYS  63   4.687  -5.602  -9.858
  502    HZ3  LYS  63           2HZ      LYS  63   3.127  -5.251 -10.053
  503    H    ASN  64           H        ASN  64   4.905   0.985  -7.841
  504    HA   ASN  64           HA       ASN  64   5.402   3.084  -9.888
  505    HB2  ASN  64           2HB      ASN  64   2.755   3.491  -9.404
  506    HB3  ASN  64           3HB      ASN  64   3.465   2.721 -10.793
  507   HD21  ASN  64          1HD2      ASN  64   1.817   2.034  -7.676
  508   HD22  ASN  64          2HD2      ASN  64   1.254   0.468  -8.262
  509    H    ARG  65           H        ARG  65   6.365   2.730  -6.932
  510    HA   ARG  65           HA       ARG  65   5.092   4.732  -5.459
  511    HB2  ARG  65           2HB      ARG  65   6.637   4.492  -3.879
  512    HB3  ARG  65           3HB      ARG  65   6.985   3.050  -4.762
  513    HG2  ARG  65           2HG      ARG  65   8.549   5.656  -5.092
  514    HG3  ARG  65           3HG      ARG  65   8.965   4.388  -3.937
  515    HD2  ARG  65           2HD      ARG  65   9.291   2.769  -5.680
  516    HD3  ARG  65           3HD      ARG  65   8.690   3.897  -6.902
  517    HE   ARG  65           HE       ARG  65  11.085   4.691  -5.334
  518   HH11  ARG  65          1HH2      ARG  65   9.883   3.645  -8.473
  519   HH12  ARG  65          2HH2      ARG  65  11.471   3.691  -9.180
  520   HH21  ARG  65          1HH1      ARG  65  13.047   4.876  -6.367
  521   HH22  ARG  65          2HH1      ARG  65  13.189   4.442  -8.043
  522    H    GLU  66           H        GLU  66   7.454   5.214  -8.021
  523    HA   GLU  66           HA       GLU  66   7.821   8.041  -7.543
  524    HB2  GLU  66           2HB      GLU  66   8.859   8.116  -9.692
  525    HB3  GLU  66           3HB      GLU  66   9.473   6.742  -8.797
  526    HG2  GLU  66           2HG      GLU  66   7.235   6.322 -10.820
  527    HG3  GLU  66           3HG      GLU  66   8.869   6.619 -11.369
  528    H    GLU  67           H        GLU  67   5.313   6.199  -9.143
  529    HA   GLU  67           HA       GLU  67   4.096   8.541 -10.435
  530    HB2  GLU  67           2HB      GLU  67   4.108   6.312 -11.512
  531    HB3  GLU  67           3HB      GLU  67   3.074   5.697 -10.217
  532    HG2  GLU  67           2HG      GLU  67   1.293   7.256 -10.837
  533    HG3  GLU  67           3HG      GLU  67   2.344   8.039 -12.021
  534    H    LEU  68           H        LEU  68   3.600   6.422  -7.626
  535    HA   LEU  68           HA       LEU  68   1.269   7.836  -6.610
  536    HB2  LEU  68           2HB      LEU  68   3.153   5.850  -5.294
  537    HB3  LEU  68           3HB      LEU  68   1.615   6.383  -4.628
  538    HG   LEU  68           HG       LEU  68   1.998   4.766  -7.190
  539   HD11  LEU  68          1HD1      LEU  68   0.832   4.022  -4.484
  540   HD12  LEU  68          2HD1      LEU  68   0.865   2.985  -5.922
  541   HD13  LEU  68          3HD1      LEU  68   2.387   3.472  -5.154
  542   HD21  LEU  68          3HD2      LEU  68   0.058   6.204  -7.475
  543   HD22  LEU  68          1HD2      LEU  68  -0.438   4.544  -7.194
  544   HD23  LEU  68          2HD2      LEU  68  -0.560   5.726  -5.877
  545    H    GLY  69           H        GLY  69   4.611   8.629  -6.497
  546    HA2  GLY  69           2HA      GLY  69   5.305  10.806  -5.997
  547    HA3  GLY  69           3HA      GLY  69   3.850  11.085  -5.042
  548    H    PHE  70           H        PHE  70   5.804   8.232  -4.404
  549    HA   PHE  70           HA       PHE  70   6.285   8.962  -1.650
  550    HB2  PHE  70           2HB      PHE  70   7.255   6.746  -3.458
  551    HB3  PHE  70           3HB      PHE  70   7.885   6.933  -1.840
  552    HD1  PHE  70           HD2      PHE  70   4.752   6.217  -3.743
  553    HD2  PHE  70           HD1      PHE  70   6.703   6.261   0.075
  554    HE1  PHE  70           HE2      PHE  70   2.932   4.804  -2.799
  555    HE2  PHE  70           HE1      PHE  70   4.929   4.822   1.029
  556    HZ   PHE  70           HZ       PHE  70   3.027   4.089  -0.425
  557    H    ARG  71           H        ARG  71   8.027   9.656  -0.633
  558    HA   ARG  71           HA       ARG  71  10.677   9.994  -1.933
  559    HB2  ARG  71           2HB      ARG  71   9.173  12.046  -0.244
  560    HB3  ARG  71           3HB      ARG  71  10.899  12.126  -0.506
  561    HG2  ARG  71           2HG      ARG  71  10.648  12.455  -2.882
  562    HG3  ARG  71           3HG      ARG  71   8.914  12.111  -2.814
  563    HD2  ARG  71           2HD      ARG  71   9.300  14.526  -2.983
  564    HD3  ARG  71           3HD      ARG  71   8.479  14.070  -1.496
  565    HE   ARG  71           HE       ARG  71  10.303  14.756  -0.209
  566   HH11  ARG  71          1HH2      ARG  71  11.368  14.926  -3.561
  567   HH12  ARG  71          2HH2      ARG  71  12.820  15.776  -3.103
  568   HH21  ARG  71          1HH1      ARG  71  12.017  15.732   0.269
  569   HH22  ARG  71          2HH1      ARG  71  13.208  16.252  -0.930
  570    HA   PRO  72           HA       PRO  72  12.088   7.753   1.563
  571    HB2  PRO  72           2HB      PRO  72  14.436   8.989   2.348
  572    HB3  PRO  72           3HB      PRO  72  14.248   7.957   0.904
  573    HG2  PRO  72           2HG      PRO  72  14.093  10.985   1.052
  574    HG3  PRO  72           3HG      PRO  72  15.047   9.978  -0.088
  575    HD2  PRO  72           2HD      PRO  72  12.672  10.972  -0.841
  576    HD3  PRO  72           3HD      PRO  72  13.079   9.282  -1.249
  577    H    GLU  73           H        GLU  73  11.637  11.224   2.141
  578    HA   GLU  73           HA       GLU  73  11.596  11.058   5.020
  579    HB2  GLU  73           2HB      GLU  73  10.692  13.289   4.942
  580    HB3  GLU  73           3HB      GLU  73  11.987  13.134   3.754
  581    HG2  GLU  73           2HG      GLU  73  10.186  12.763   1.980
  582    HG3  GLU  73           3HG      GLU  73   8.988  13.170   3.209
  583    H    TYR  74           H        TYR  74   9.298   9.941   2.704
  584    HA   TYR  74           HA       TYR  74   7.563   9.074   4.849
  585    HB2  TYR  74           2HB      TYR  74   5.464   9.869   3.638
  586    HB3  TYR  74           3HB      TYR  74   6.353  10.942   4.679
  587    HD1  TYR  74           HD2      TYR  74   6.913  10.130   1.021
  588    HD2  TYR  74           HD1      TYR  74   5.910  13.087   3.993
  589    HE1  TYR  74           HE2      TYR  74   6.774  11.880  -0.755
  590    HE2  TYR  74           HE1      TYR  74   5.797  14.829   2.229
  591    HH   TYR  74           HH       TYR  74   5.947  15.285  -0.005
  592    H    SER  75           H        SER  75   9.004   7.346   3.877
  593    HA   SER  75           HA       SER  75   7.973   5.831   1.622
  594    HB2  SER  75           2HB      SER  75   9.919   5.173   3.831
  595    HB3  SER  75           3HB      SER  75   9.554   4.127   2.444
  596    HG   SER  75           HG       SER  75  11.358   5.371   1.972
  597    H    ALA  76           H        ALA  76   7.990   3.182   2.826
  598    HA   ALA  76           HA       ALA  76   5.274   2.801   3.195
  599    HB1  ALA  76           1HB      ALA  76   7.624   1.118   4.143
  600    HB2  ALA  76           2HB      ALA  76   6.838   1.041   2.555
  601    HB3  ALA  76           3HB      ALA  76   5.954   0.560   4.011
  602    H    SER  77           H        SER  77   7.538   3.712   5.774
  603    HA   SER  77           HA       SER  77   5.895   2.836   7.968
  604    HB2  SER  77           2HB      SER  77   8.014   5.012   7.947
  605    HB3  SER  77           3HB      SER  77   7.383   4.149   9.361
  606    HG   SER  77           HG       SER  77   9.390   3.300   8.622
  607    H    GLN  78           H        GLN  78   5.513   5.472   5.775
  608    HA   GLN  78           HA       GLN  78   3.750   6.936   7.597
  609    HB2  GLN  78           2HB      GLN  78   5.283   7.798   5.118
  610    HB3  GLN  78           3HB      GLN  78   4.095   8.789   5.946
  611    HG2  GLN  78           2HG      GLN  78   6.103   9.565   6.836
  612    HG3  GLN  78           3HG      GLN  78   5.442   8.527   8.086
  613   HE21  GLN  78          2HE2      GLN  78   7.721   8.633   8.913
  614   HE22  GLN  78          1HE2      GLN  78   8.890   7.524   8.212
  615    H    LEU  79           H        LEU  79   3.072   4.432   6.139
  616    HA   LEU  79           HA       LEU  79   0.710   5.325   4.564
  617    HB2  LEU  79           2HB      LEU  79   1.836   2.596   5.337
  618    HB3  LEU  79           3HB      LEU  79   0.300   2.798   4.516
  619    HG   LEU  79           HG       LEU  79   2.808   3.901   3.224
  620   HD11  LEU  79          1HD1      LEU  79   3.238   1.813   2.089
  621   HD12  LEU  79          2HD1      LEU  79   3.303   1.490   3.825
  622   HD13  LEU  79          3HD1      LEU  79   1.890   1.014   2.899
  623   HD21  LEU  79          3HD2      LEU  79   0.426   4.237   2.368
  624   HD22  LEU  79          1HD2      LEU  79   1.580   3.563   1.208
  625   HD23  LEU  79          2HD2      LEU  79   0.389   2.515   2.002
  626    H    LYS  80           H        LYS  80  -1.296   5.441   5.443
  627    HA   LYS  80           HA       LYS  80  -1.806   5.410   8.229
  628    HB2  LYS  80           2HB      LYS  80  -3.850   4.803   6.047
  629    HB3  LYS  80           3HB      LYS  80  -4.199   5.270   7.709
  630    HG2  LYS  80           2HG      LYS  80  -2.953   7.412   7.300
  631    HG3  LYS  80           3HG      LYS  80  -2.869   6.969   5.579
  632    HD2  LYS  80           2HD      LYS  80  -5.400   7.409   7.237
  633    HD3  LYS  80           3HD      LYS  80  -4.706   8.560   6.088
  634    HE2  LYS  80           2HE      LYS  80  -5.070   6.952   4.236
  635    HE3  LYS  80           3HE      LYS  80  -5.762   5.788   5.377
  636    HZ1  LYS  80           3HZ      LYS  80  -6.900   8.475   4.808
  637    HZ2  LYS  80           1HZ      LYS  80  -7.501   7.059   4.256
  638    HZ3  LYS  80           2HZ      LYS  80  -7.530   7.390   5.853
  639    H    GLY  81           H        GLY  81  -2.308   3.915   9.698
  640    HA2  GLY  81           2HA      GLY  81  -2.825   1.892  10.677
  641    HA3  GLY  81           3HA      GLY  81  -3.426   1.318   9.119
  642    H    PHE  82           H        PHE  82  -0.145   2.238   8.702
  643    HA   PHE  82           HA       PHE  82   0.802  -0.381   8.171
  644    HB2  PHE  82           2HB      PHE  82   1.937   1.449   7.214
  645    HB3  PHE  82           3HB      PHE  82   2.066   2.307   8.742
  646    HD1  PHE  82           HD2      PHE  82   3.765   1.829  10.374
  647    HD2  PHE  82           HD1      PHE  82   3.638  -0.274   6.612
  648    HE1  PHE  82           HE2      PHE  82   6.085   1.012  10.752
  649    HE2  PHE  82           HE1      PHE  82   5.966  -1.051   6.979
  650    HZ   PHE  82           HZ       PHE  82   7.173  -0.444   9.052
  651    H    SER  83           H        SER  83   0.986   1.606  11.123
  652    HA   SER  83           HA       SER  83   2.731  -0.052  12.611
  653    HB2  SER  83           2HB      SER  83   1.891   1.309  14.528
  654    HB3  SER  83           3HB      SER  83   2.346   2.278  13.107
  655    HG   SER  83           HG       SER  83   0.321   2.910  14.031
  656    H    LEU  84           H        LEU  84  -0.664  -0.479  11.949
  657    HA   LEU  84           HA       LEU  84  -1.130  -2.305  14.223
  658    HB2  LEU  84           2HB      LEU  84  -2.860  -0.983  12.121
  659    HB3  LEU  84           3HB      LEU  84  -3.433  -2.421  12.940
  660    HG   LEU  84           HG       LEU  84  -3.206  -1.350  15.135
  661   HD11  LEU  84          1HD1      LEU  84  -2.480   1.160  13.563
  662   HD12  LEU  84          2HD1      LEU  84  -2.955   1.124  15.280
  663   HD13  LEU  84          3HD1      LEU  84  -1.471   0.327  14.766
  664   HD21  LEU  84          3HD2      LEU  84  -4.830   0.270  13.128
  665   HD22  LEU  84          1HD2      LEU  84  -5.328  -1.268  13.868
  666   HD23  LEU  84          2HD2      LEU  84  -5.119   0.165  14.883
  667    H    LEU  85           H        LEU  85   0.177  -2.706  11.107
  668    HA   LEU  85           HA       LEU  85  -0.789  -5.428  10.601
  669    HB2  LEU  85           2HB      LEU  85   1.470  -3.714   9.543
  670    HB3  LEU  85           3HB      LEU  85   1.448  -5.432   9.226
  671    HG   LEU  85           HG       LEU  85  -0.679  -5.286   8.054
  672   HD11  LEU  85          1HD1      LEU  85  -0.496  -2.302   8.608
  673   HD12  LEU  85          2HD1      LEU  85  -1.560  -3.030   7.395
  674   HD13  LEU  85          3HD1      LEU  85  -1.801  -3.399   9.108
  675   HD21  LEU  85          3HD2      LEU  85   0.145  -4.031   6.102
  676   HD22  LEU  85          1HD2      LEU  85   1.351  -3.210   7.115
  677   HD23  LEU  85          2HD2      LEU  85   1.458  -4.960   6.839
  678    H    ALA  86           H        ALA  86   0.802  -7.283  10.593
  679    HA   ALA  86           HA       ALA  86   2.028  -7.713  13.180
  680    HB1  ALA  86           1HB      ALA  86   1.033  -9.516  11.780
  681    HB2  ALA  86           2HB      ALA  86   2.299  -9.253  10.563
  682    HB3  ALA  86           3HB      ALA  86   2.733  -9.843  12.182
  683    H    THR  87           H        THR  87   4.248  -7.831  13.701
  684    HA   THR  87           HA       THR  87   5.930  -5.831  12.739
  685    HB   THR  87           HB       THR  87   6.859  -8.421  14.014
  686    HG1  THR  87           1HG      THR  87   6.405  -7.387  15.967
  687   HG21  THR  87          1HG2      THR  87   8.535  -6.940  15.122
  688   HG22  THR  87          2HG2      THR  87   8.717  -6.922  13.364
  689   HG23  THR  87          3HG2      THR  87   7.923  -5.558  14.182
  690    H    GLU  88           H        GLU  88   5.880  -9.267  11.719
  691    HA   GLU  88           HA       GLU  88   8.185  -9.106  10.026
  692    HB2  GLU  88           2HB      GLU  88   7.450 -11.216   9.110
  693    HB3  GLU  88           3HB      GLU  88   7.307 -11.211  10.866
  694    HG2  GLU  88           2HG      GLU  88   4.838 -10.771  10.626
  695    HG3  GLU  88           3HG      GLU  88   5.017 -10.896   8.874
  696    H    ASP  89           H        ASP  89   4.806  -8.189   9.406
  697    HA   ASP  89           HA       ASP  89   5.271  -7.829   6.514
  698    HB2  ASP  89           2HB      ASP  89   2.949  -7.093   8.327
  699    HB3  ASP  89           3HB      ASP  89   3.012  -6.762   6.601
  700    H    LYS  90           H        LYS  90   5.093  -5.778   9.431
  701    HA   LYS  90           HA       LYS  90   5.425  -3.228   8.151
  702    HB2  LYS  90           2HB      LYS  90   6.133  -4.274  10.924
  703    HB3  LYS  90           3HB      LYS  90   6.356  -2.580  10.461
  704    HG2  LYS  90           2HG      LYS  90   4.073  -2.205  10.126
  705    HG3  LYS  90           3HG      LYS  90   3.683  -3.921  10.030
  706    HD2  LYS  90           2HD      LYS  90   2.848  -3.009  12.089
  707    HD3  LYS  90           3HD      LYS  90   4.083  -4.232  12.403
  708    HE2  LYS  90           2HE      LYS  90   5.736  -2.460  12.879
  709    HE3  LYS  90           3HE      LYS  90   4.539  -1.221  12.479
  710    HZ1  LYS  90           3HZ      LYS  90   4.627  -1.586  14.884
  711    HZ2  LYS  90           1HZ      LYS  90   3.159  -2.079  14.336
  712    HZ3  LYS  90           2HZ      LYS  90   4.308  -3.177  14.713
  713    H    GLU  91           H        GLU  91   7.865  -5.519   9.402
  714    HA   GLU  91           HA       GLU  91  10.142  -3.994   8.473
  715    HB2  GLU  91           2HB      GLU  91   9.781  -6.941   9.140
  716    HB3  GLU  91           3HB      GLU  91  11.336  -6.216   8.731
  717    HG2  GLU  91           2HG      GLU  91   9.601  -5.291  11.058
  718    HG3  GLU  91           3HG      GLU  91  10.891  -6.479  11.194
  719    H    ALA  92           H        ALA  92   8.225  -6.629   6.911
  720    HA   ALA  92           HA       ALA  92   9.885  -6.806   4.596
  721    HB1  ALA  92           1HB      ALA  92   6.924  -7.391   4.911
  722    HB2  ALA  92           2HB      ALA  92   7.959  -7.919   3.566
  723    HB3  ALA  92           3HB      ALA  92   8.270  -8.522   5.205
  724    H    LEU  93           H        LEU  93   7.034  -4.685   5.189
  725    HA   LEU  93           HA       LEU  93   7.014  -3.481   2.575
  726    HB2  LEU  93           2HB      LEU  93   6.067  -2.569   5.314
  727    HB3  LEU  93           3HB      LEU  93   5.829  -1.607   3.860
  728    HG   LEU  93           HG       LEU  93   4.706  -4.414   4.192
  729   HD11  LEU  93          1HD1      LEU  93   3.391  -1.679   4.520
  730   HD12  LEU  93          2HD1      LEU  93   2.562  -3.247   4.585
  731   HD13  LEU  93          3HD1      LEU  93   3.746  -2.833   5.828
  732   HD21  LEU  93          3HD2      LEU  93   3.271  -3.752   2.294
  733   HD22  LEU  93          1HD2      LEU  93   4.137  -2.206   2.166
  734   HD23  LEU  93          2HD2      LEU  93   4.974  -3.740   1.833
  735    H    LYS  94           H        LYS  94   8.700  -2.533   5.606
  736    HA   LYS  94           HA       LYS  94  10.050  -0.225   4.524
  737    HB2  LYS  94           2HB      LYS  94  10.675  -2.140   6.808
  738    HB3  LYS  94           3HB      LYS  94  11.710  -0.766   6.407
  739    HG2  LYS  94           2HG      LYS  94  10.022   0.830   6.932
  740    HG3  LYS  94           3HG      LYS  94   8.748  -0.393   6.975
  741    HD2  LYS  94           2HD      LYS  94   9.365   0.309   9.243
  742    HD3  LYS  94           3HD      LYS  94   9.692  -1.408   8.978
  743    HE2  LYS  94           2HE      LYS  94  12.115  -0.803   8.553
  744    HE3  LYS  94           3HE      LYS  94  11.726   0.865   9.006
  745    HZ1  LYS  94           3HZ      LYS  94  11.010  -0.027  11.194
  746    HZ2  LYS  94           1HZ      LYS  94  11.425  -1.548  10.727
  747    HZ3  LYS  94           2HZ      LYS  94  12.577  -0.402  10.902
  748    H    LYS  95           H        LYS  95  10.976  -3.673   4.657
  749    HA   LYS  95           HA       LYS  95  13.534  -3.292   3.485
  750    HB2  LYS  95           2HB      LYS  95  11.764  -5.724   3.770
  751    HB3  LYS  95           3HB      LYS  95  13.272  -5.818   2.856
  752    HG2  LYS  95           2HG      LYS  95  14.552  -4.956   4.775
  753    HG3  LYS  95           3HG      LYS  95  13.093  -4.885   5.755
  754    HD2  LYS  95           2HD      LYS  95  14.307  -7.409   4.543
  755    HD3  LYS  95           3HD      LYS  95  14.493  -6.873   6.218
  756    HE2  LYS  95           2HE      LYS  95  12.012  -7.017   6.518
  757    HE3  LYS  95           3HE      LYS  95  11.870  -7.650   4.871
  758    HZ1  LYS  95           3HZ      LYS  95  13.392  -8.960   7.065
  759    HZ2  LYS  95           1HZ      LYS  95  11.941  -9.454   6.500
  760    HZ3  LYS  95           2HZ      LYS  95  13.260  -9.537   5.543
  761    H    GLN  96           H        GLN  96  10.486  -3.239   1.891
  762    HA   GLN  96           HA       GLN  96  11.746  -3.481  -0.802
  763    HB2  GLN  96           2HB      GLN  96   8.837  -3.259   0.057
  764    HB3  GLN  96           3HB      GLN  96   9.394  -3.339  -1.615
  765    HG2  GLN  96           2HG      GLN  96   9.864  -5.530   0.449
  766    HG3  GLN  96           3HG      GLN  96   8.556  -5.513  -0.721
  767   HE21  GLN  96          2HE2      GLN  96  10.211  -7.701  -0.712
  768   HE22  GLN  96          1HE2      GLN  96  11.235  -7.654  -2.140
  769    H    LEU  97           H        LEU  97  10.106  -1.114   1.321
  770    HA   LEU  97           HA       LEU  97  11.324   1.073  -0.261
  771    HB2  LEU  97           2HB      LEU  97   9.092   0.654  -1.171
  772    HB3  LEU  97           3HB      LEU  97   8.366   0.856   0.419
  773    HG   LEU  97           HG       LEU  97   8.951   3.231   0.438
  774   HD11  LEU  97          1HD1      LEU  97  11.098   3.248  -0.724
  775   HD12  LEU  97          2HD1      LEU  97  10.327   2.684  -2.226
  776   HD13  LEU  97          3HD1      LEU  97   9.970   4.303  -1.572
  777   HD21  LEU  97          3HD2      LEU  97   7.768   2.357  -2.227
  778   HD22  LEU  97          1HD2      LEU  97   6.891   2.544  -0.694
  779   HD23  LEU  97          2HD2      LEU  97   7.597   3.962  -1.487
  780    HA   PRO  98           HA       PRO  98  11.704   1.854   4.238
  781    HB2  PRO  98           2HB      PRO  98  14.446   2.116   4.393
  782    HB3  PRO  98           3HB      PRO  98  13.559   0.575   4.483
  783    HG2  PRO  98           2HG      PRO  98  15.209   1.630   2.250
  784    HG3  PRO  98           3HG      PRO  98  14.691  -0.050   2.598
  785    HD2  PRO  98           2HD      PRO  98  13.547   1.832   0.715
  786    HD3  PRO  98           3HD      PRO  98  13.077   0.141   1.037
  787    H    GLY  99           H        GLY  99  12.047   3.857   5.402
  788    HA2  GLY  99           2HA      GLY  99  12.516   6.278   3.757
  789    HA3  GLY  99           3HA      GLY  99  11.708   6.196   5.314
  790    H    VAL 100           H        VAL 100  13.136   8.045   5.566
  791    HA   VAL 100           HA       VAL 100  15.985   7.761   6.016
  792    HB   VAL 100           HB       VAL 100  14.056   9.916   6.983
  793   HG11  VAL 100          1HG1      VAL 100  17.111   9.902   6.923
  794   HG12  VAL 100          2HG1      VAL 100  16.097  11.325   7.239
  795   HG13  VAL 100          3HG1      VAL 100  16.075   9.981   8.374
  796   HG21  VAL 100          3HG2      VAL 100  15.967   9.844   4.604
  797   HG22  VAL 100          1HG2      VAL 100  14.192   9.831   4.535
  798   HG23  VAL 100          2HG2      VAL 100  15.030  11.259   5.134
  799    H    LYS 101           H        LYS 101  17.094   7.121   7.636
  800    HA   LYS 101           HA       LYS 101  15.840   6.751  10.314
  801    HB2  LYS 101           2HB      LYS 101  16.202   4.665   8.626
  802    HB3  LYS 101           3HB      LYS 101  17.799   4.677   9.390
  803    HG2  LYS 101           2HG      LYS 101  16.629   4.654  11.639
  804    HG3  LYS 101           3HG      LYS 101  15.086   4.647  10.777
  805    HD2  LYS 101           2HD      LYS 101  15.552   2.403  11.513
  806    HD3  LYS 101           3HD      LYS 101  15.682   2.449   9.748
  807    HE2  LYS 101           2HE      LYS 101  18.162   2.587   9.941
  808    HE3  LYS 101           3HE      LYS 101  18.024   2.582  11.706
  809    HZ1  LYS 101           3HZ      LYS 101  17.037   0.356  11.554
  810    HZ2  LYS 101           1HZ      LYS 101  17.164   0.362   9.923
  811    HZ3  LYS 101           2HZ      LYS 101  18.507   0.358  10.848
  812    H    SER 102           H        SER 102  17.992   8.677   9.077
  813    HA   SER 102           HA       SER 102  20.437   8.278  10.412
  814    HB2  SER 102           2HB      SER 102  19.116  10.963   9.866
  815    HB3  SER 102           3HB      SER 102  20.852  10.628   9.997
  816    HG   SER 102           HG       SER 102  20.701   9.387   8.088
  817    H    GLU 103           H        GLU 103  17.449   9.781  11.661
  818    HA   GLU 103           HA       GLU 103  18.581  10.430  14.276
  819    HB2  GLU 103           2HB      GLU 103  16.661  11.643  13.322
  820    HB3  GLU 103           3HB      GLU 103  15.700  10.153  13.336
  821    HG2  GLU 103           2HG      GLU 103  15.850  10.039  15.785
  822    HG3  GLU 103           3HG      GLU 103  16.929  11.434  15.816
  823    H    GLY 104           H        GLY 104  16.649   7.682  13.009
  824    HA2  GLY 104           2HA      GLY 104  16.333   6.391  15.528
  825    HA3  GLY 104           3HA      GLY 104  16.185   5.624  13.936
  826    H    LYS 105           H        LYS 105  19.009   6.392  13.280
  827    HA   LYS 105           HA       LYS 105  20.535   4.338  14.821
  828    HB2  LYS 105           2HB      LYS 105  21.255   5.949  12.336
  829    HB3  LYS 105           3HB      LYS 105  22.307   4.774  13.130
  830    HG2  LYS 105           2HG      LYS 105  20.339   3.089  12.806
  831    HG3  LYS 105           3HG      LYS 105  19.750   4.243  11.601
  832    HD2  LYS 105           2HD      LYS 105  22.485   2.892  11.662
  833    HD3  LYS 105           3HD      LYS 105  21.150   2.453  10.595
  834    HE2  LYS 105           2HE      LYS 105  21.302   4.534   9.382
  835    HE3  LYS 105           3HE      LYS 105  22.404   5.229  10.582
  836    HZ1  LYS 105           3HZ      LYS 105  23.609   4.436   8.626
  837    HZ2  LYS 105           1HZ      LYS 105  24.086   3.655   9.968
  838    HZ3  LYS 105           2HZ      LYS 105  23.101   2.899   8.883
  839    H    ARG 106           H        ARG 106  19.971   7.615  15.196
  840    HA   ARG 106           HA       ARG 106  21.133   9.474  15.899
  841    HB2  ARG 106           2HB      ARG 106  22.401   7.424  17.763
  842    HB3  ARG 106           3HB      ARG 106  22.470   9.168  17.981
  843    HG2  ARG 106           2HG      ARG 106  19.906   7.514  18.004
  844    HG3  ARG 106           3HG      ARG 106  20.798   8.077  19.417
  845    HD2  ARG 106           2HD      ARG 106  20.486  10.451  18.570
  846    HD3  ARG 106           3HD      ARG 106  19.368   9.821  17.365
  847    HE   ARG 106           HE       ARG 106  18.948  10.119  20.253
  848   HH11  ARG 106          1HH2      ARG 106  17.632   8.535  17.396
  849   HH12  ARG 106          2HH2      ARG 106  16.109   8.224  18.196
  850   HH21  ARG 106          1HH1      ARG 106  16.983   9.713  21.159
  851   HH22  ARG 106          2HH1      ARG 106  15.751   8.890  20.249
  852    H    LYS 107           H        LYS 107  22.007   9.094  13.628
  853    HA   LYS 107           HA       LYS 107  24.348   7.789  13.051
  854    HB2  LYS 107           2HB      LYS 107  22.647   8.360  11.449
  855    HB3  LYS 107           3HB      LYS 107  23.042  10.084  11.538
  856    HG2  LYS 107           2HG      LYS 107  25.100   9.794  10.403
  857    HG3  LYS 107           3HG      LYS 107  25.144   8.058  10.757
  858    HD2  LYS 107           2HD      LYS 107  23.337   7.621   9.188
  859    HD3  LYS 107           3HD      LYS 107  23.119   9.351   8.893
  860    HE2  LYS 107           2HE      LYS 107  24.357   8.144   7.086
  861    HE3  LYS 107           3HE      LYS 107  25.213   9.536   7.746
  862    HZ1  LYS 107           3HZ      LYS 107  26.557   7.413   7.440
  863    HZ2  LYS 107           1HZ      LYS 107  26.687   8.123   8.903
  864    HZ3  LYS 107           2HZ      LYS 107  25.770   6.794   8.751
  865    H    GLY 108           H        GLY 108  24.417  10.942  14.504
  866    HA2  GLY 108           2HA      GLY 108  27.031  11.837  13.856
  867    HA3  GLY 108           3HA      GLY 108  26.242  11.978  15.445
  868    H    ASP 109           H        ASP 109  26.010   9.131  15.911
  869    HA   ASP 109           HA       ASP 109  28.597   8.526  17.048
  870    HB2  ASP 109           2HB      ASP 109  26.318   8.018  17.975
  871    HB3  ASP 109           3HB      ASP 109  26.105   6.823  16.697
  872    H    GLU 110           H        GLU 110  27.368   7.942  13.875
  873    HA   GLU 110           HA       GLU 110  29.275   5.747  13.401
  874    HB2  GLU 110           2HB      GLU 110  27.560   7.214  11.357
  875    HB3  GLU 110           3HB      GLU 110  28.450   5.707  11.125
  876    HG2  GLU 110           2HG      GLU 110  26.995   4.678  12.939
  877    HG3  GLU 110           3HG      GLU 110  25.995   6.134  12.864
  878    H    VAL 111           H        VAL 111  29.523   9.041  13.707
  879    HA   VAL 111           HA       VAL 111  31.929   9.229  11.959
  880    HB   VAL 111           HB       VAL 111  30.269  11.683  12.494
  881   HG11  VAL 111          1HG1      VAL 111  32.520  11.848  11.372
  882   HG12  VAL 111          2HG1      VAL 111  31.935  10.767  10.095
  883   HG13  VAL 111          3HG1      VAL 111  31.204  12.371  10.321
  884   HG21  VAL 111          3HG2      VAL 111  29.667   9.693  10.266
  885   HG22  VAL 111          1HG2      VAL 111  28.565  10.207  11.568
  886   HG23  VAL 111          2HG2      VAL 111  29.067  11.366  10.342
  887    H    ASP 112           H        ASP 112  31.605   8.521  14.806
  888    HA   ASP 112           HA       ASP 112  32.890  10.723  16.308
  889    HB2  ASP 112           2HB      ASP 112  30.954   9.397  17.197
  890    HB3  ASP 112           3HB      ASP 112  31.995   7.977  17.239
  Start of MODEL   25
    1    H1   GLY   1           H1       GLY   1 -12.088   8.111  18.743
    2    H2   GLY   1           H2       GLY   1 -12.990   9.471  18.888
    3    H3   GLY   1           H3       GLY   1 -11.356   9.555  18.988
    4    HA2  GLY   1           2HA      GLY   1 -12.877   8.796  16.580
    5    HA3  GLY   1           3HA      GLY   1 -12.108  10.372  16.847
    6    H    SER   2           H        SER   2 -11.631   8.372  14.722
    7    HA   SER   2           HA       SER   2  -9.171   6.982  15.122
    8    HB2  SER   2           2HB      SER   2 -10.419   7.964  12.530
    9    HB3  SER   2           3HB      SER   2  -9.171   6.714  12.689
   10    HG   SER   2           HG       SER   2 -11.288   5.820  12.515
   11    H    LYS   3           H        LYS   3  -7.096   7.353  14.279
   12    HA   LYS   3           HA       LYS   3  -6.304  10.165  13.627
   13    HB2  LYS   3           2HB      LYS   3  -5.022   8.274  15.649
   14    HB3  LYS   3           3HB      LYS   3  -4.241   9.729  15.052
   15    HG2  LYS   3           2HG      LYS   3  -6.842   9.675  16.642
   16    HG3  LYS   3           3HG      LYS   3  -5.230  10.030  17.260
   17    HD2  LYS   3           2HD      LYS   3  -5.143  11.950  15.516
   18    HD3  LYS   3           3HD      LYS   3  -6.868  11.668  15.286
   19    HE2  LYS   3           2HE      LYS   3  -6.608  13.479  16.822
   20    HE3  LYS   3           3HE      LYS   3  -7.252  12.099  17.718
   21    HZ1  LYS   3           3HZ      LYS   3  -5.071  11.715  18.637
   22    HZ2  LYS   3           1HZ      LYS   3  -4.354  12.785  17.637
   23    HZ3  LYS   3           2HZ      LYS   3  -5.362  13.310  18.826
   24    H    ALA   4           H        ALA   4  -4.556  10.447  12.346
   25    HA   ALA   4           HA       ALA   4  -2.917   8.186  11.447
   26    HB1  ALA   4           1HB      ALA   4  -4.484   9.927   9.472
   27    HB2  ALA   4           2HB      ALA   4  -3.306   8.669   9.043
   28    HB3  ALA   4           3HB      ALA   4  -4.824   8.218   9.833
   29    H    GLU   5           H        GLU   5  -2.241  10.143  13.186
   30    HA   GLU   5           HA       GLU   5  -1.018  12.474  12.050
   31    HB2  GLU   5           2HB      GLU   5  -0.801  10.983  14.678
   32    HB3  GLU   5           3HB      GLU   5   0.135  12.459  14.361
   33    HG2  GLU   5           2HG      GLU   5  -2.004  13.672  13.860
   34    HG3  GLU   5           3HG      GLU   5  -2.904  12.220  14.300
   35    H    LYS   6           H        LYS   6   0.224   9.212  12.414
   36    HA   LYS   6           HA       LYS   6   3.039   9.915  11.971
   37    HB2  LYS   6           2HB      LYS   6   2.224   7.948  13.273
   38    HB3  LYS   6           3HB      LYS   6   1.614   7.225  11.779
   39    HG2  LYS   6           2HG      LYS   6   3.905   7.142  10.857
   40    HG3  LYS   6           3HG      LYS   6   4.538   7.950  12.298
   41    HD2  LYS   6           2HD      LYS   6   3.178   5.218  12.238
   42    HD3  LYS   6           3HD      LYS   6   4.924   5.499  12.288
   43    HE2  LYS   6           2HE      LYS   6   4.658   6.703  14.466
   44    HE3  LYS   6           3HE      LYS   6   2.923   6.352  14.429
   45    HZ1  LYS   6           3HZ      LYS   6   3.496   3.969  14.395
   46    HZ2  LYS   6           1HZ      LYS   6   5.084   4.327  14.550
   47    HZ3  LYS   6           2HZ      LYS   6   4.047   4.702  15.755
   48    H    THR   7           H        THR   7   0.303   9.204   9.933
   49    HA   THR   7           HA       THR   7   1.713   8.421   7.555
   50    HB   THR   7           HB       THR   7  -1.069   9.603   7.747
   51    HG1  THR   7           1HG      THR   7  -0.181   6.971   8.328
   52   HG21  THR   7          1HG2      THR   7  -1.627   8.494   5.823
   53   HG22  THR   7          2HG2      THR   7   0.040   8.834   5.435
   54   HG23  THR   7          3HG2      THR   7  -0.364   7.247   6.007
   55    H    LEU   8           H        LEU   8   2.096   9.618   5.616
   56    HA   LEU   8           HA       LEU   8   2.291  12.525   5.858
   57    HB2  LEU   8           2HB      LEU   8   3.319  12.577   3.859
   58    HB3  LEU   8           3HB      LEU   8   3.716  10.950   4.378
   59    HG   LEU   8           HG       LEU   8   1.551  11.741   2.357
   60   HD11  LEU   8          1HD1      LEU   8   3.880  12.011   1.554
   61   HD12  LEU   8          2HD1      LEU   8   4.185  10.302   1.936
   62   HD13  LEU   8          3HD1      LEU   8   2.991  10.739   0.698
   63   HD21  LEU   8          3HD2      LEU   8   1.436   9.301   1.883
   64   HD22  LEU   8          1HD2      LEU   8   2.479   9.003   3.294
   65   HD23  LEU   8          2HD2      LEU   8   0.865   9.675   3.500
   66    H    GLY   9           H        GLY   9  -0.400  10.556   5.244
   67    HA2  GLY   9           2HA      GLY   9  -2.611  11.245   5.084
   68    HA3  GLY   9           3HA      GLY   9  -2.104  12.855   4.589
   69    H    ASP  10           H        ASP  10  -0.875  10.027   2.778
   70    HA   ASP  10           HA       ASP  10  -2.781  10.664   0.579
   71    HB2  ASP  10           2HB      ASP  10  -0.460  11.865   0.548
   72    HB3  ASP  10           3HB      ASP  10   0.163  10.276   0.074
   73    H    PHE  11           H        PHE  11  -1.269   8.050   2.283
   74    HA   PHE  11           HA       PHE  11  -2.483   6.146   0.430
   75    HB2  PHE  11           2HB      PHE  11  -0.172   4.905   0.304
   76    HB3  PHE  11           3HB      PHE  11  -0.639   6.119  -0.838
   77    HD1  PHE  11           HD1      PHE  11   1.327   5.993   2.414
   78    HD2  PHE  11           HD2      PHE  11   0.918   7.596  -1.572
   79    HE1  PHE  11           HE1      PHE  11   3.626   6.890   2.535
   80    HE2  PHE  11           HE2      PHE  11   3.184   8.578  -1.400
   81    HZ   PHE  11           HZ       PHE  11   4.555   8.194   0.641
   82    H    ALA  12           H        ALA  12  -2.833   4.078   1.265
   83    HA   ALA  12           HA       ALA  12  -2.534   3.821   4.218
   84    HB1  ALA  12           1HB      ALA  12  -4.865   4.200   3.296
   85    HB2  ALA  12           2HB      ALA  12  -4.711   2.653   2.451
   86    HB3  ALA  12           3HB      ALA  12  -4.668   2.711   4.221
   87    H    ALA  13           H        ALA  13  -2.524   1.704   5.182
   88    HA   ALA  13           HA       ALA  13  -1.894  -0.615   3.440
   89    HB1  ALA  13           1HB      ALA  13  -0.302   0.172   5.933
   90    HB2  ALA  13           2HB      ALA  13  -0.030  -1.250   4.892
   91    HB3  ALA  13           3HB      ALA  13   0.248   0.384   4.261
   92    H    GLU  14           H        GLU  14  -2.979  -2.440   4.067
   93    HA   GLU  14           HA       GLU  14  -3.775  -3.086   6.764
   94    HB2  GLU  14           2HB      GLU  14  -6.224  -3.073   6.299
   95    HB3  GLU  14           3HB      GLU  14  -5.531  -1.466   6.412
   96    HG2  GLU  14           2HG      GLU  14  -5.556  -1.224   3.960
   97    HG3  GLU  14           3HG      GLU  14  -6.117  -2.894   3.790
   98    H    TYR  15           H        TYR  15  -5.388  -5.136   6.507
   99    HA   TYR  15           HA       TYR  15  -4.268  -6.843   4.327
  100    HB2  TYR  15           2HB      TYR  15  -5.789  -7.636   6.813
  101    HB3  TYR  15           3HB      TYR  15  -5.161  -8.730   5.586
  102    HD1  TYR  15           HD2      TYR  15  -4.241  -6.390   8.308
  103    HD2  TYR  15           HD1      TYR  15  -2.755  -9.210   5.406
  104    HE1  TYR  15           HE2      TYR  15  -2.080  -6.519   9.531
  105    HE2  TYR  15           HE1      TYR  15  -0.554  -9.266   6.595
  106    HH   TYR  15           HH       TYR  15   0.677  -8.453   8.303
  107    H    ALA  16           H        ALA  16  -5.510  -7.881   2.828
  108    HA   ALA  16           HA       ALA  16  -7.963  -6.585   2.060
  109    HB1  ALA  16           1HB      ALA  16  -6.560  -9.053   1.065
  110    HB2  ALA  16           2HB      ALA  16  -7.875  -8.218   0.205
  111    HB3  ALA  16           3HB      ALA  16  -6.309  -7.405   0.467
  112    H    LYS  17           H        LYS  17  -9.910  -6.951   2.910
  113    HA   LYS  17           HA       LYS  17 -10.482  -9.347   4.496
  114    HB2  LYS  17           2HB      LYS  17 -10.974  -6.946   5.123
  115    HB3  LYS  17           3HB      LYS  17 -12.267  -6.943   3.919
  116    HG2  LYS  17           2HG      LYS  17 -13.433  -8.740   5.143
  117    HG3  LYS  17           3HG      LYS  17 -12.099  -8.862   6.296
  118    HD2  LYS  17           2HD      LYS  17 -13.850  -6.396   5.877
  119    HD3  LYS  17           3HD      LYS  17 -14.098  -7.618   7.131
  120    HE2  LYS  17           2HE      LYS  17 -11.832  -7.126   8.055
  121    HE3  LYS  17           3HE      LYS  17 -11.623  -5.855   6.844
  122    HZ1  LYS  17           3HZ      LYS  17 -12.417  -4.943   8.947
  123    HZ2  LYS  17           1HZ      LYS  17 -13.557  -4.717   7.803
  124    HZ3  LYS  17           2HZ      LYS  17 -13.744  -5.890   8.926
  125    H    SER  18           H        SER  18 -10.963  -8.627   1.233
  126    HA   SER  18           HA       SER  18 -12.230 -11.219   0.827
  127    HB2  SER  18           2HB      SER  18 -13.678  -8.651   0.063
  128    HB3  SER  18           3HB      SER  18 -13.960 -10.180  -0.787
  129    HG   SER  18           HG       SER  18 -14.100 -10.094   2.030
  130    H    ASN  19           H        ASN  19 -12.052 -11.922  -1.411
  131    HA   ASN  19           HA       ASN  19  -9.708 -10.962  -2.780
  132    HB2  ASN  19           2HB      ASN  19 -11.831 -12.926  -3.740
  133    HB3  ASN  19           3HB      ASN  19 -10.209 -12.741  -4.394
  134   HD21  ASN  19          2HD2      ASN  19  -8.476 -13.886  -3.414
  135   HD22  ASN  19          1HD2      ASN  19  -8.790 -14.930  -2.038
  136    H    ARG  20           H        ARG  20 -12.393  -9.248  -2.679
  137    HA   ARG  20           HA       ARG  20 -12.995  -8.819  -5.535
  138    HB2  ARG  20           2HB      ARG  20 -14.126  -7.515  -3.022
  139    HB3  ARG  20           3HB      ARG  20 -14.740  -7.293  -4.653
  140    HG2  ARG  20           2HG      ARG  20 -14.774  -9.876  -3.039
  141    HG3  ARG  20           3HG      ARG  20 -16.150  -8.853  -3.424
  142    HD2  ARG  20           2HD      ARG  20 -14.493 -10.458  -5.417
  143    HD3  ARG  20           3HD      ARG  20 -16.099 -10.876  -4.807
  144    HE   ARG  20           HE       ARG  20 -16.371  -8.315  -5.908
  145   HH11  ARG  20          1HH2      ARG  20 -15.581 -11.490  -7.162
  146   HH12  ARG  20          2HH2      ARG  20 -16.203 -11.117  -8.746
  147   HH21  ARG  20          1HH1      ARG  20 -17.135  -7.904  -7.952
  148   HH22  ARG  20          2HH1      ARG  20 -17.064  -9.140  -9.172
  149    H    SER  21           H        SER  21 -10.892  -7.319  -3.234
  150    HA   SER  21           HA       SER  21 -10.616  -4.750  -4.557
  151    HB2  SER  21           2HB      SER  21  -8.680  -6.389  -2.873
  152    HB3  SER  21           3HB      SER  21  -8.355  -4.743  -3.452
  153    HG   SER  21           HG       SER  21 -10.268  -4.083  -2.325
  154    H    THR  22           H        THR  22  -8.989  -4.093  -6.087
  155    HA   THR  22           HA       THR  22  -7.510  -6.240  -7.525
  156    HB   THR  22           HB       THR  22  -9.135  -4.122  -8.925
  157    HG1  THR  22           1HG      THR  22 -10.484  -5.732  -8.115
  158   HG21  THR  22          1HG2      THR  22  -7.133  -4.830 -10.226
  159   HG22  THR  22          2HG2      THR  22  -7.677  -6.519 -10.091
  160   HG23  THR  22          3HG2      THR  22  -8.644  -5.338 -10.987
  161    H    CYS  23           HN       CYS  23  -5.550  -5.683  -8.118
  162    HA   CYS  23           HA       CYS  23  -4.370  -3.271  -7.089
  163    HB2  CYS  23           2HB      CYS  23  -3.288  -5.402  -6.901
  164    HB3  CYS  23           3HB      CYS  23  -3.480  -5.704  -8.628
  165    H    LYS  24           H        LYS  24  -4.573  -1.417  -8.146
  166    HA   LYS  24           HA       LYS  24  -4.751  -1.163 -11.073
  167    HB2  LYS  24           2HB      LYS  24  -4.579   0.734  -8.726
  168    HB3  LYS  24           3HB      LYS  24  -4.271   1.324 -10.362
  169    HG2  LYS  24           2HG      LYS  24  -6.566   1.665  -9.902
  170    HG3  LYS  24           3HG      LYS  24  -6.438   0.437 -11.144
  171    HD2  LYS  24           2HD      LYS  24  -7.071  -1.312  -9.575
  172    HD3  LYS  24           3HD      LYS  24  -6.859  -0.223  -8.200
  173    HE2  LYS  24           2HE      LYS  24  -9.208  -0.481  -8.570
  174    HE3  LYS  24           3HE      LYS  24  -8.756   1.169  -9.000
  175    HZ1  LYS  24           3HZ      LYS  24  -9.240  -1.044 -10.930
  176    HZ2  LYS  24           1HZ      LYS  24 -10.241   0.206 -10.652
  177    HZ3  LYS  24           2HZ      LYS  24  -8.799   0.477 -11.358
  178    H    GLY  25           H        GLY  25  -2.196  -1.781  -9.000
  179    HA2  GLY  25           2HA      GLY  25  -0.021  -0.572 -10.505
  180    HA3  GLY  25           3HA      GLY  25   0.094  -1.841  -9.285
  181    H    CYS  26           HN       CYS  26  -1.636  -3.765 -10.693
  182    HA   CYS  26           HA       CYS  26  -0.230  -4.184 -13.264
  183    HB2  CYS  26           2HB      CYS  26   0.419  -6.426 -12.799
  184    HB3  CYS  26           3HB      CYS  26   1.077  -5.378 -11.544
  185    H    MET  27           H        MET  27  -3.220  -4.063 -11.921
  186    HA   MET  27           HA       MET  27  -5.274  -4.644 -12.514
  187    HB2  MET  27           2HB      MET  27  -4.142  -5.233 -15.258
  188    HB3  MET  27           3HB      MET  27  -5.850  -5.075 -14.882
  189    HG2  MET  27           2HG      MET  27  -3.992  -2.785 -14.217
  190    HG3  MET  27           3HG      MET  27  -4.443  -3.088 -15.881
  191    HE1  MET  27           3HE      MET  27  -7.464  -1.820 -12.600
  192    HE2  MET  27           1HE      MET  27  -7.147  -3.552 -12.808
  193    HE3  MET  27           2HE      MET  27  -5.833  -2.464 -12.304
  194    H    GLU  28           H        GLU  28  -4.245  -6.389 -10.924
  195    HA   GLU  28           HA       GLU  28  -5.675  -8.862 -11.722
  196    HB2  GLU  28           2HB      GLU  28  -2.900  -8.786 -10.484
  197    HB3  GLU  28           3HB      GLU  28  -3.947 -10.185 -10.361
  198    HG2  GLU  28           2HG      GLU  28  -2.963  -8.963 -12.959
  199    HG3  GLU  28           3HG      GLU  28  -2.304 -10.394 -12.163
  200    H    LYS  29           H        LYS  29  -6.394 -10.127  -9.913
  201    HA   LYS  29           HA       LYS  29  -7.631  -8.284  -8.037
  202    HB2  LYS  29           2HB      LYS  29  -8.911 -10.149  -7.204
  203    HB3  LYS  29           3HB      LYS  29  -8.964 -10.048  -8.961
  204    HG2  LYS  29           2HG      LYS  29  -7.296 -11.910  -9.105
  205    HG3  LYS  29           3HG      LYS  29  -7.308 -12.027  -7.331
  206    HD2  LYS  29           2HD      LYS  29  -9.728 -12.554  -7.363
  207    HD3  LYS  29           3HD      LYS  29  -9.758 -12.339  -9.116
  208    HE2  LYS  29           2HE      LYS  29  -9.715 -14.674  -8.755
  209    HE3  LYS  29           3HE      LYS  29  -8.113 -14.227  -9.348
  210    HZ1  LYS  29           3HZ      LYS  29  -8.774 -14.672  -6.480
  211    HZ2  LYS  29           1HZ      LYS  29  -8.021 -15.759  -7.441
  212    HZ3  LYS  29           2HZ      LYS  29  -7.289 -14.356  -7.051
  213    H    ILE  30           H        ILE  30  -7.286  -7.916  -5.991
  214    HA   ILE  30           HA       ILE  30  -4.807  -8.873  -4.715
  215    HB   ILE  30           HB       ILE  30  -6.874  -6.760  -4.113
  216   HG12  ILE  30          2HG1      ILE  30  -3.862  -6.567  -4.537
  217   HG13  ILE  30          3HG1      ILE  30  -5.041  -6.416  -5.832
  218   HG21  ILE  30          1HG2      ILE  30  -5.795  -6.108  -2.114
  219   HG22  ILE  30          2HG2      ILE  30  -6.139  -7.815  -1.916
  220   HG23  ILE  30          3HG2      ILE  30  -4.484  -7.294  -2.328
  221   HD11  ILE  30          3HD1      ILE  30  -4.792  -4.545  -3.448
  222   HD12  ILE  30          1HD1      ILE  30  -4.331  -4.230  -5.122
  223   HD13  ILE  30          2HD1      ILE  30  -6.041  -4.446  -4.721
  224    H    GLU  31           H        GLU  31  -4.730 -10.501  -3.308
  225    HA   GLU  31           HA       GLU  31  -7.172 -12.036  -2.949
  226    HB2  GLU  31           2HB      GLU  31  -4.340 -12.743  -2.133
  227    HB3  GLU  31           3HB      GLU  31  -5.697 -13.854  -2.263
  228    HG2  GLU  31           2HG      GLU  31  -4.386 -12.354  -4.571
  229    HG3  GLU  31           3HG      GLU  31  -4.090 -14.020  -4.118
  230    H    LYS  32           H        LYS  32  -8.015 -12.885  -1.152
  231    HA   LYS  32           HA       LYS  32  -8.265 -11.376   1.224
  232    HB2  LYS  32           2HB      LYS  32  -9.922 -12.979   0.485
  233    HB3  LYS  32           3HB      LYS  32  -8.773 -14.309   0.571
  234    HG2  LYS  32           2HG      LYS  32 -10.396 -14.419   2.356
  235    HG3  LYS  32           3HG      LYS  32  -8.773 -14.217   3.022
  236    HD2  LYS  32           2HD      LYS  32  -9.208 -11.978   3.688
  237    HD3  LYS  32           3HD      LYS  32 -10.564 -11.838   2.566
  238    HE2  LYS  32           2HE      LYS  32 -11.423 -11.946   4.809
  239    HE3  LYS  32           3HE      LYS  32 -11.892 -13.397   3.926
  240    HZ1  LYS  32           3HZ      LYS  32  -9.640 -13.239   5.873
  241    HZ2  LYS  32           1HZ      LYS  32 -11.091 -13.921   6.165
  242    HZ3  LYS  32           2HZ      LYS  32 -10.091 -14.595   5.071
  243    H    GLY  33           H        GLY  33  -7.160 -11.161   3.008
  244    HA2  GLY  33           2HA      GLY  33  -6.044 -11.802   4.934
  245    HA3  GLY  33           3HA      GLY  33  -5.688 -13.374   4.220
  246    H    GLN  34           H        GLN  34  -4.509 -11.332   1.939
  247    HA   GLN  34           HA       GLN  34  -1.887 -10.904   3.300
  248    HB2  GLN  34           2HB      GLN  34  -0.809 -10.851   1.146
  249    HB3  GLN  34           3HB      GLN  34  -1.599 -12.375   1.487
  250    HG2  GLN  34           2HG      GLN  34  -1.937 -11.986  -0.807
  251    HG3  GLN  34           3HG      GLN  34  -3.484 -11.695  -0.054
  252   HE21  GLN  34          1HE2      GLN  34  -4.381  -9.520  -0.234
  253   HE22  GLN  34          2HE2      GLN  34  -3.433  -8.200  -0.937
  254    H    VAL  35           H        VAL  35  -0.701  -8.903   2.519
  255    HA   VAL  35           HA       VAL  35  -2.297  -6.682   3.402
  256    HB   VAL  35           HB       VAL  35   0.543  -6.854   2.371
  257   HG11  VAL  35          1HG1      VAL  35   0.904  -4.618   3.384
  258   HG12  VAL  35          2HG1      VAL  35  -0.189  -4.543   2.009
  259   HG13  VAL  35          3HG1      VAL  35  -0.844  -4.462   3.662
  260   HG21  VAL  35          3HG2      VAL  35  -0.605  -6.500   5.171
  261   HG22  VAL  35          1HG2      VAL  35   0.137  -7.983   4.526
  262   HG23  VAL  35          2HG2      VAL  35   1.119  -6.535   4.745
  263    H    ARG  36           H        ARG  36  -3.105  -4.942   2.390
  264    HA   ARG  36           HA       ARG  36  -2.662  -4.540  -0.521
  265    HB2  ARG  36           2HB      ARG  36  -4.921  -3.800  -0.863
  266    HB3  ARG  36           3HB      ARG  36  -4.887  -5.459  -0.263
  267    HG2  ARG  36           2HG      ARG  36  -5.620  -4.752   1.951
  268    HG3  ARG  36           3HG      ARG  36  -5.572  -3.053   1.462
  269    HD2  ARG  36           2HD      ARG  36  -7.314  -3.454  -0.235
  270    HD3  ARG  36           3HD      ARG  36  -7.350  -5.171   0.192
  271    HE   ARG  36           HE       ARG  36  -7.882  -3.298   2.421
  272   HH11  ARG  36          1HH2      ARG  36  -9.594  -5.041  -0.142
  273   HH12  ARG  36          2HH2      ARG  36 -11.027  -5.105   0.820
  274   HH21  ARG  36          1HH1      ARG  36  -9.703  -3.312   3.424
  275   HH22  ARG  36          2HH1      ARG  36 -11.138  -4.104   2.780
  276    H    LEU  37           H        LEU  37  -1.982  -2.563  -1.051
  277    HA   LEU  37           HA       LEU  37  -2.022  -0.451   1.033
  278    HB2  LEU  37           2HB      LEU  37  -0.100  -0.531  -1.307
  279    HB3  LEU  37           3HB      LEU  37  -0.116   0.538   0.117
  280    HG   LEU  37           HG       LEU  37   1.696  -0.771   0.427
  281   HD11  LEU  37          1HD1      LEU  37  -0.404  -2.158   2.107
  282   HD12  LEU  37          2HD1      LEU  37   1.319  -1.912   2.479
  283   HD13  LEU  37          3HD1      LEU  37   0.221  -0.521   2.348
  284   HD21  LEU  37          3HD2      LEU  37   1.821  -3.175   0.357
  285   HD22  LEU  37          1HD2      LEU  37   0.104  -3.335  -0.034
  286   HD23  LEU  37          2HD2      LEU  37   1.203  -2.574  -1.200
  287    H    SER  38           H        SER  38  -2.465   1.710   0.367
  288    HA   SER  38           HA       SER  38  -3.968   1.855  -2.180
  289    HB2  SER  38           2HB      SER  38  -5.568   3.219  -1.340
  290    HB3  SER  38           3HB      SER  38  -5.272   2.146   0.034
  291    HG   SER  38           HG       SER  38  -5.361   4.528   0.408
  292    H    LYS  39           H        LYS  39  -4.193   3.999  -3.169
  293    HA   LYS  39           HA       LYS  39  -2.627   6.120  -1.880
  294    HB2  LYS  39           2HB      LYS  39  -1.231   6.022  -3.733
  295    HB3  LYS  39           3HB      LYS  39  -2.547   5.660  -4.864
  296    HG2  LYS  39           2HG      LYS  39  -3.346   7.863  -4.895
  297    HG3  LYS  39           3HG      LYS  39  -2.485   8.302  -3.396
  298    HD2  LYS  39           2HD      LYS  39  -0.384   8.375  -4.464
  299    HD3  LYS  39           3HD      LYS  39  -1.029   7.666  -5.962
  300    HE2  LYS  39           2HE      LYS  39  -0.699  10.096  -6.176
  301    HE3  LYS  39           3HE      LYS  39  -2.392   9.634  -6.389
  302    HZ1  LYS  39           3HZ      LYS  39  -1.273  10.692  -3.835
  303    HZ2  LYS  39           1HZ      LYS  39  -2.063  11.615  -4.930
  304    HZ3  LYS  39           2HZ      LYS  39  -2.851  10.423  -4.133
  305    H    LYS  40           H        LYS  40  -3.768   7.940  -1.512
  306    HA   LYS  40           HA       LYS  40  -6.639   7.976  -2.185
  307    HB2  LYS  40           2HB      LYS  40  -6.055   8.445   0.057
  308    HB3  LYS  40           3HB      LYS  40  -4.922   9.700  -0.399
  309    HG2  LYS  40           2HG      LYS  40  -7.881   9.913  -1.134
  310    HG3  LYS  40           3HG      LYS  40  -7.342  10.280   0.493
  311    HD2  LYS  40           2HD      LYS  40  -6.514  11.718  -2.046
  312    HD3  LYS  40           3HD      LYS  40  -7.555  12.317  -0.765
  313    HE2  LYS  40           2HE      LYS  40  -4.587  11.693  -0.461
  314    HE3  LYS  40           3HE      LYS  40  -5.252  13.289  -0.763
  315    HZ1  LYS  40           3HZ      LYS  40  -6.003  11.694   1.624
  316    HZ2  LYS  40           1HZ      LYS  40  -4.792  12.771   1.624
  317    HZ3  LYS  40           2HZ      LYS  40  -6.334  13.276   1.350
  318    H    MET  41           H        MET  41  -7.353   8.888  -3.997
  319    HA   MET  41           HA       MET  41  -6.542  11.530  -4.861
  320    HB2  MET  41           2HB      MET  41  -5.810  10.956  -7.138
  321    HB3  MET  41           3HB      MET  41  -4.679  10.374  -5.928
  322    HG2  MET  41           2HG      MET  41  -5.625   8.095  -6.116
  323    HG3  MET  41           3HG      MET  41  -6.785   8.676  -7.317
  324    HE1  MET  41           3HE      MET  41  -4.966   6.204  -7.715
  325    HE2  MET  41           1HE      MET  41  -6.194   6.820  -8.859
  326    HE3  MET  41           2HE      MET  41  -4.549   6.419  -9.434
  327    H    VAL  42           H        VAL  42  -8.114  12.492  -6.267
  328    HA   VAL  42           HA       VAL  42 -10.606  11.437  -6.734
  329    HB   VAL  42           HB       VAL  42  -9.069  13.248  -8.624
  330   HG11  VAL  42          1HG1      VAL  42 -12.070  12.776  -8.314
  331   HG12  VAL  42          2HG1      VAL  42 -11.333  14.068  -9.285
  332   HG13  VAL  42          3HG1      VAL  42 -11.075  12.387  -9.738
  333   HG21  VAL  42          3HG2      VAL  42 -10.252  15.088  -7.454
  334   HG22  VAL  42          1HG2      VAL  42 -10.928  13.923  -6.300
  335   HG23  VAL  42          2HG2      VAL  42  -9.175  14.221  -6.364
  336    H    ASP  43           H        ASP  43 -11.486   9.869  -7.980
  337    HA   ASP  43           HA       ASP  43  -9.845   8.027  -9.443
  338    HB2  ASP  43           2HB      ASP  43 -12.025   7.536  -8.265
  339    HB3  ASP  43           3HB      ASP  43 -12.871   8.372  -9.548
  340    HA   PRO  44           HA       PRO  44  -9.835  10.537 -13.211
  341    HB2  PRO  44           2HB      PRO  44  -8.321   8.909 -14.839
  342    HB3  PRO  44           3HB      PRO  44  -7.627   9.876 -13.502
  343    HG2  PRO  44           2HG      PRO  44  -8.485   6.956 -13.424
  344    HG3  PRO  44           3HG      PRO  44  -6.915   7.658 -12.905
  345    HD2  PRO  44           2HD      PRO  44  -8.877   7.155 -11.137
  346    HD3  PRO  44           3HD      PRO  44  -7.894   8.644 -10.993
  347    H    GLU  45           H        GLU  45 -11.272   7.399 -12.879
  348    HA   GLU  45           HA       GLU  45 -12.632   7.553 -15.541
  349    HB2  GLU  45           2HB      GLU  45 -12.485   5.347 -13.452
  350    HB3  GLU  45           3HB      GLU  45 -13.334   5.239 -14.991
  351    HG2  GLU  45           2HG      GLU  45 -11.294   5.353 -16.255
  352    HG3  GLU  45           3HG      GLU  45 -10.339   5.793 -14.841
  353    H    LYS  46           H        LYS  46 -13.124   8.337 -12.263
  354    HA   LYS  46           HA       LYS  46 -16.005   8.791 -12.576
  355    HB2  LYS  46           2HB      LYS  46 -14.775   7.043 -10.406
  356    HB3  LYS  46           3HB      LYS  46 -16.389   7.700 -10.280
  357    HG2  LYS  46           2HG      LYS  46 -15.638   5.843 -12.570
  358    HG3  LYS  46           3HG      LYS  46 -16.099   5.277 -10.981
  359    HD2  LYS  46           2HD      LYS  46 -18.090   5.211 -12.206
  360    HD3  LYS  46           3HD      LYS  46 -18.217   6.583 -11.113
  361    HE2  LYS  46           2HE      LYS  46 -19.181   7.250 -13.168
  362    HE3  LYS  46           3HE      LYS  46 -17.646   8.109 -13.029
  363    HZ1  LYS  46           3HZ      LYS  46 -17.982   5.616 -14.612
  364    HZ2  LYS  46           1HZ      LYS  46 -18.061   7.116 -15.254
  365    HZ3  LYS  46           2HZ      LYS  46 -16.664   6.610 -14.590
  366    HA   PRO  47           HA       PRO  47 -13.379  11.959 -10.303
  367    HB2  PRO  47           2HB      PRO  47 -13.975  14.191 -11.824
  368    HB3  PRO  47           3HB      PRO  47 -12.641  13.048 -12.166
  369    HG2  PRO  47           2HG      PRO  47 -15.432  13.060 -13.363
  370    HG3  PRO  47           3HG      PRO  47 -13.856  12.935 -14.218
  371    HD2  PRO  47           2HD      PRO  47 -15.302  10.730 -13.669
  372    HD3  PRO  47           3HD      PRO  47 -13.522  10.719 -13.476
  373    H    GLN  48           H        GLN  48 -16.755  11.831 -11.202
  374    HA   GLN  48           HA       GLN  48 -17.831  13.908  -9.594
  375    HB2  GLN  48           2HB      GLN  48 -18.954  12.613 -11.418
  376    HB3  GLN  48           3HB      GLN  48 -19.048  11.213 -10.338
  377    HG2  GLN  48           2HG      GLN  48 -20.499  12.496  -8.794
  378    HG3  GLN  48           3HG      GLN  48 -20.316  13.939  -9.795
  379   HE21  GLN  48          2HE2      GLN  48 -22.844  13.507  -9.458
  380   HE22  GLN  48          1HE2      GLN  48 -23.579  12.619 -10.787
  381    H    LEU  49           H        LEU  49 -16.505  10.770  -8.614
  382    HA   LEU  49           HA       LEU  49 -17.719  10.599  -5.989
  383    HB2  LEU  49           2HB      LEU  49 -15.048   9.659  -7.136
  384    HB3  LEU  49           3HB      LEU  49 -15.637   9.198  -5.550
  385    HG   LEU  49           HG       LEU  49 -17.042   8.489  -8.159
  386   HD11  LEU  49          1HD1      LEU  49 -16.103   6.248  -7.722
  387   HD12  LEU  49          2HD1      LEU  49 -14.804   7.452  -7.865
  388   HD13  LEU  49          3HD1      LEU  49 -15.290   6.874  -6.263
  389   HD21  LEU  49          3HD2      LEU  49 -18.605   8.569  -6.272
  390   HD22  LEU  49          1HD2      LEU  49 -18.256   6.880  -6.673
  391   HD23  LEU  49          2HD2      LEU  49 -17.476   7.640  -5.260
  392    H    GLY  50           H        GLY  50 -15.082  12.555  -7.264
  393    HA2  GLY  50           2HA      GLY  50 -13.363  13.733  -6.235
  394    HA3  GLY  50           3HA      GLY  50 -14.125  13.501  -4.660
  395    H    MET  51           H        MET  51 -12.396  12.705  -3.605
  396    HA   MET  51           HA       MET  51 -10.400  11.044  -4.691
  397    HB2  MET  51           2HB      MET  51 -10.604  11.760  -1.775
  398    HB3  MET  51           3HB      MET  51  -9.178  11.521  -2.786
  399    HG2  MET  51           2HG      MET  51 -10.117  13.620  -4.106
  400    HG3  MET  51           3HG      MET  51 -11.077  13.878  -2.653
  401    HE1  MET  51           3HE      MET  51  -7.588  12.961  -3.838
  402    HE2  MET  51           1HE      MET  51  -7.798  14.602  -4.474
  403    HE3  MET  51           2HE      MET  51  -6.555  14.291  -3.238
  404    H    ILE  52           H        ILE  52  -9.970   8.948  -4.491
  405    HA   ILE  52           HA       ILE  52 -11.420   7.308  -2.482
  406    HB   ILE  52           HB       ILE  52 -11.321   5.417  -4.131
  407   HG12  ILE  52          2HG1      ILE  52 -10.938   7.500  -6.306
  408   HG13  ILE  52          3HG1      ILE  52  -9.573   6.617  -5.634
  409   HG21  ILE  52          1HG2      ILE  52 -13.065   7.752  -4.975
  410   HG22  ILE  52          2HG2      ILE  52 -13.361   6.019  -5.258
  411   HG23  ILE  52          3HG2      ILE  52 -13.355   6.647  -3.604
  412   HD11  ILE  52          3HD1      ILE  52 -11.957   5.293  -6.961
  413   HD12  ILE  52          1HD1      ILE  52 -10.339   5.533  -7.657
  414   HD13  ILE  52          2HD1      ILE  52 -10.547   4.468  -6.251
  415    H    ASP  53           H        ASP  53 -10.365   5.287  -2.035
  416    HA   ASP  53           HA       ASP  53  -7.385   5.401  -2.012
  417    HB2  ASP  53           2HB      ASP  53  -9.409   3.787  -0.443
  418    HB3  ASP  53           3HB      ASP  53  -7.726   3.299  -0.565
  419    H    ARG  54           H        ARG  54  -6.934   4.993  -4.086
  420    HA   ARG  54           HA       ARG  54  -7.866   2.720  -5.686
  421    HB2  ARG  54           2HB      ARG  54  -6.537   5.034  -6.280
  422    HB3  ARG  54           3HB      ARG  54  -5.149   3.998  -6.043
  423    HG2  ARG  54           2HG      ARG  54  -5.490   3.874  -8.316
  424    HG3  ARG  54           3HG      ARG  54  -6.232   2.383  -7.752
  425    HD2  ARG  54           2HD      ARG  54  -8.445   3.265  -8.063
  426    HD3  ARG  54           3HD      ARG  54  -7.880   4.942  -8.024
  427    HE   ARG  54           HE       ARG  54  -6.633   3.932 -10.257
  428   HH11  ARG  54          1HH2      ARG  54 -10.014   4.260  -9.364
  429   HH12  ARG  54          2HH2      ARG  54 -10.465   4.650 -10.990
  430   HH21  ARG  54          1HH1      ARG  54  -7.387   4.061 -12.351
  431   HH22  ARG  54          2HH1      ARG  54  -9.110   4.062 -12.633
  432    H    TRP  55           H        TRP  55  -7.128   0.560  -5.489
  433    HA   TRP  55           HA       TRP  55  -5.069   0.082  -3.413
  434    HB2  TRP  55           2HB      TRP  55  -7.147  -1.767  -4.586
  435    HB3  TRP  55           3HB      TRP  55  -5.958  -2.218  -3.370
  436    HD1  TRP  55           HD1      TRP  55  -9.314  -0.644  -3.707
  437    HE1  TRP  55           HE1      TRP  55 -10.186   0.201  -1.454
  438    HE3  TRP  55           HE3      TRP  55  -5.061  -1.230  -0.907
  439    HZ2  TRP  55           HZ2      TRP  55  -9.143   0.695   1.191
  440    HZ3  TRP  55           HZ3      TRP  55  -5.009  -0.490   1.463
  441    HH2  TRP  55           HH2      TRP  55  -7.035   0.489   2.513
  442    H    TYR  56           H        TYR  56  -3.453  -1.369  -3.524
  443    HA   TYR  56           HA       TYR  56  -2.363  -2.383  -6.083
  444    HB2  TYR  56           2HB      TYR  56  -0.924  -0.637  -4.035
  445    HB3  TYR  56           3HB      TYR  56  -0.214  -1.324  -5.487
  446    HD1  TYR  56           HD2      TYR  56  -0.788  -0.439  -7.706
  447    HD2  TYR  56           HD1      TYR  56  -2.344   1.369  -4.136
  448    HE1  TYR  56           HE2      TYR  56  -1.481   1.567  -9.034
  449    HE2  TYR  56           HE1      TYR  56  -3.040   3.362  -5.446
  450    HH   TYR  56           HH       TYR  56  -3.070   4.378  -7.508
  451    H    HIS  57           H        HIS  57  -0.801  -4.025  -5.812
  452    HA   HIS  57           HA       HIS  57  -0.862  -5.691  -3.411
  453    HB2  HIS  57           2HB      HIS  57   0.903  -5.827  -5.848
  454    HB3  HIS  57           3HB      HIS  57   1.014  -6.966  -4.542
  455    HD2  HIS  57           HD2      HIS  57  -1.449  -8.294  -3.923
  456    HE1  HIS  57           HE1      HIS  57  -2.602  -8.407  -8.007
  457    HE2  HIS  57           HE2      HIS  57  -2.993  -9.429  -5.742
  458    HA   PRO  58           HA       PRO  58   2.819  -4.199  -1.205
  459    HB2  PRO  58           2HB      PRO  58   3.620  -7.099  -1.081
  460    HB3  PRO  58           3HB      PRO  58   3.593  -5.872   0.229
  461    HG2  PRO  58           2HG      PRO  58   1.585  -7.660   0.071
  462    HG3  PRO  58           3HG      PRO  58   1.190  -5.922   0.314
  463    HD2  PRO  58           2HD      PRO  58   1.194  -7.489  -2.283
  464    HD3  PRO  58           3HD      PRO  58  -0.081  -6.433  -1.612
  465    H    GLY  59           H        GLY  59   3.368  -6.371  -3.947
  466    HA2  GLY  59           2HA      GLY  59   6.178  -5.513  -4.302
  467    HA3  GLY  59           3HA      GLY  59   5.219  -6.516  -5.397
  468    H    CYS  60           HN       CYS  60   3.031  -4.980  -5.968
  469    HA   CYS  60           HA       CYS  60   4.081  -3.372  -7.976
  470    HB2  CYS  60           2HB      CYS  60   1.217  -3.467  -6.973
  471    HB3  CYS  60           3HB      CYS  60   1.765  -3.023  -8.597
  472    H    PHE  61           H        PHE  61   2.525  -2.336  -4.895
  473    HA   PHE  61           HA       PHE  61   2.367   0.412  -5.619
  474    HB2  PHE  61           2HB      PHE  61   1.594   0.769  -3.567
  475    HB3  PHE  61           3HB      PHE  61   1.473  -0.980  -3.516
  476    HD1  PHE  61           HD1      PHE  61   3.338  -2.297  -2.445
  477    HD2  PHE  61           HD2      PHE  61   3.121   1.973  -2.176
  478    HE1  PHE  61           HE1      PHE  61   4.753  -2.373  -0.382
  479    HE2  PHE  61           HE2      PHE  61   4.525   1.917  -0.098
  480    HZ   PHE  61           HZ       PHE  61   5.330  -0.257   0.795
  481    H    VAL  62           H        VAL  62   5.090  -1.458  -4.295
  482    HA   VAL  62           HA       VAL  62   6.950   0.755  -4.201
  483    HB   VAL  62           HB       VAL  62   7.623  -2.186  -4.545
  484   HG11  VAL  62          1HG1      VAL  62   9.252   0.186  -3.530
  485   HG12  VAL  62          2HG1      VAL  62   9.761  -1.516  -3.474
  486   HG13  VAL  62          3HG1      VAL  62   9.534  -0.723  -5.030
  487   HG21  VAL  62          3HG2      VAL  62   7.988  -2.068  -2.036
  488   HG22  VAL  62          1HG2      VAL  62   7.134  -0.510  -2.049
  489   HG23  VAL  62          2HG2      VAL  62   6.310  -1.998  -2.550
  490    H    LYS  63           H        LYS  63   6.167  -1.616  -6.794
  491    HA   LYS  63           HA       LYS  63   8.107  -0.756  -8.670
  492    HB2  LYS  63           2HB      LYS  63   6.743  -2.790  -8.918
  493    HB3  LYS  63           3HB      LYS  63   5.289  -1.813  -9.127
  494    HG2  LYS  63           2HG      LYS  63   6.177  -0.876 -11.234
  495    HG3  LYS  63           3HG      LYS  63   7.655  -1.822 -11.025
  496    HD2  LYS  63           2HD      LYS  63   6.142  -2.903 -12.617
  497    HD3  LYS  63           3HD      LYS  63   6.394  -3.909 -11.198
  498    HE2  LYS  63           2HE      LYS  63   4.078  -4.015 -11.907
  499    HE3  LYS  63           3HE      LYS  63   4.178  -3.292 -10.306
  500    HZ1  LYS  63           3HZ      LYS  63   2.655  -2.159 -11.933
  501    HZ2  LYS  63           1HZ      LYS  63   3.712  -1.147 -11.240
  502    HZ3  LYS  63           2HZ      LYS  63   3.954  -1.668 -12.788
  503    H    ASN  64           H        ASN  64   4.911   0.671  -7.996
  504    HA   ASN  64           HA       ASN  64   5.539   2.933  -9.827
  505    HB2  ASN  64           2HB      ASN  64   2.887   3.274  -9.228
  506    HB3  ASN  64           3HB      ASN  64   3.582   2.615 -10.684
  507   HD21  ASN  64          1HD2      ASN  64   1.905   1.790  -7.672
  508   HD22  ASN  64          2HD2      ASN  64   1.489   0.179  -8.246
  509    H    ARG  65           H        ARG  65   6.493   2.534  -6.822
  510    HA   ARG  65           HA       ARG  65   5.279   4.502  -5.341
  511    HB2  ARG  65           2HB      ARG  65   6.943   4.363  -3.831
  512    HB3  ARG  65           3HB      ARG  65   7.184   2.869  -4.671
  513    HG2  ARG  65           2HG      ARG  65   8.795   5.415  -5.207
  514    HG3  ARG  65           3HG      ARG  65   9.270   4.184  -4.048
  515    HD2  ARG  65           2HD      ARG  65   9.686   2.563  -5.657
  516    HD3  ARG  65           3HD      ARG  65   8.642   3.355  -6.846
  517    HE   ARG  65           HE       ARG  65  11.171   4.704  -6.034
  518   HH11  ARG  65          1HH2      ARG  65   9.499   2.941  -8.607
  519   HH12  ARG  65          2HH2      ARG  65  10.294   3.934  -9.832
  520   HH21  ARG  65          1HH1      ARG  65  12.282   5.680  -7.776
  521   HH22  ARG  65          2HH1      ARG  65  11.752   5.277  -9.404
  522    H    GLU  66           H        GLU  66   7.598   5.134  -7.933
  523    HA   GLU  66           HA       GLU  66   7.800   7.952  -7.343
  524    HB2  GLU  66           2HB      GLU  66   8.910   8.193  -9.464
  525    HB3  GLU  66           3HB      GLU  66   9.545   6.814  -8.583
  526    HG2  GLU  66           2HG      GLU  66   8.156   5.293 -10.031
  527    HG3  GLU  66           3HG      GLU  66   7.593   6.702 -10.927
  528    H    GLU  67           H        GLU  67   5.436   6.053  -9.073
  529    HA   GLU  67           HA       GLU  67   4.091   8.348 -10.299
  530    HB2  GLU  67           2HB      GLU  67   4.159   6.005 -11.290
  531    HB3  GLU  67           3HB      GLU  67   3.082   5.511  -9.986
  532    HG2  GLU  67           2HG      GLU  67   1.730   5.912 -11.892
  533    HG3  GLU  67           3HG      GLU  67   1.411   7.221 -10.766
  534    H    LEU  68           H        LEU  68   3.668   6.155  -7.490
  535    HA   LEU  68           HA       LEU  68   1.337   7.516  -6.440
  536    HB2  LEU  68           2HB      LEU  68   3.326   5.729  -5.005
  537    HB3  LEU  68           3HB      LEU  68   1.723   6.173  -4.434
  538    HG   LEU  68           HG       LEU  68   2.380   4.395  -6.817
  539   HD11  LEU  68          1HD1      LEU  68   1.246   2.667  -5.486
  540   HD12  LEU  68          2HD1      LEU  68   2.658   3.325  -4.641
  541   HD13  LEU  68          3HD1      LEU  68   1.018   3.826  -4.163
  542   HD21  LEU  68          3HD2      LEU  68  -0.361   5.195  -5.807
  543   HD22  LEU  68          1HD2      LEU  68   0.361   5.696  -7.358
  544   HD23  LEU  68          2HD2      LEU  68   0.004   3.997  -7.064
  545    H    GLY  69           H        GLY  69   4.716   8.316  -6.269
  546    HA2  GLY  69           2HA      GLY  69   5.364  10.556  -5.900
  547    HA3  GLY  69           3HA      GLY  69   3.964  10.828  -4.869
  548    H    PHE  70           H        PHE  70   5.982   7.998  -4.272
  549    HA   PHE  70           HA       PHE  70   6.596   8.815  -1.566
  550    HB2  PHE  70           2HB      PHE  70   7.510   6.542  -3.344
  551    HB3  PHE  70           3HB      PHE  70   8.188   6.787  -1.752
  552    HD1  PHE  70           HD2      PHE  70   5.059   5.921  -3.555
  553    HD2  PHE  70           HD1      PHE  70   7.028   6.233   0.258
  554    HE1  PHE  70           HE2      PHE  70   3.252   4.570  -2.513
  555    HE2  PHE  70           HE1      PHE  70   5.247   4.854   1.293
  556    HZ   PHE  70           HZ       PHE  70   3.359   4.021  -0.099
  557    H    ARG  71           H        ARG  71   8.322   9.713  -0.690
  558    HA   ARG  71           HA       ARG  71  10.958   9.750  -2.039
  559    HB2  ARG  71           2HB      ARG  71   9.562  12.087  -0.675
  560    HB3  ARG  71           3HB      ARG  71  11.303  12.038  -0.897
  561    HG2  ARG  71           2HG      ARG  71  11.122  12.017  -3.300
  562    HG3  ARG  71           3HG      ARG  71   9.368  11.780  -3.233
  563    HD2  ARG  71           2HD      ARG  71   9.908  14.098  -3.767
  564    HD3  ARG  71           3HD      ARG  71   9.015  13.933  -2.258
  565    HE   ARG  71           HE       ARG  71  11.930  14.588  -2.526
  566   HH11  ARG  71          1HH2      ARG  71   9.040  14.709  -0.455
  567   HH12  ARG  71          2HH2      ARG  71  10.023  15.362   0.864
  568   HH21  ARG  71          1HH1      ARG  71  12.946  15.519  -0.714
  569   HH22  ARG  71          2HH1      ARG  71  11.964  15.774   0.730
  570    HA   PRO  72           HA       PRO  72  12.527   7.921   1.501
  571    HB2  PRO  72           2HB      PRO  72  14.551  10.137   1.868
  572    HB3  PRO  72           3HB      PRO  72  14.813   8.364   1.852
  573    HG2  PRO  72           2HG      PRO  72  15.376   9.815  -0.349
  574    HG3  PRO  72           3HG      PRO  72  14.471   8.271  -0.523
  575    HD2  PRO  72           2HD      PRO  72  13.381  11.097  -0.471
  576    HD3  PRO  72           3HD      PRO  72  13.000   9.760  -1.594
  577    H    GLU  73           H        GLU  73  11.834  11.374   2.158
  578    HA   GLU  73           HA       GLU  73  11.940  10.942   5.040
  579    HB2  GLU  73           2HB      GLU  73  11.343  13.205   5.305
  580    HB3  GLU  73           3HB      GLU  73  12.490  13.113   3.970
  581    HG2  GLU  73           2HG      GLU  73  10.576  13.262   2.355
  582    HG3  GLU  73           3HG      GLU  73   9.466  13.428   3.719
  583    H    TYR  74           H        TYR  74   9.608   9.984   2.820
  584    HA   TYR  74           HA       TYR  74   7.765   9.332   4.988
  585    HB2  TYR  74           2HB      TYR  74   5.777  10.168   3.647
  586    HB3  TYR  74           3HB      TYR  74   6.720  11.286   4.590
  587    HD1  TYR  74           HD1      TYR  74   6.941  10.018   1.030
  588    HD2  TYR  74           HD2      TYR  74   6.878  13.381   3.721
  589    HE1  TYR  74           HE1      TYR  74   6.971  11.583  -0.916
  590    HE2  TYR  74           HE2      TYR  74   6.990  14.938   1.779
  591    HH   TYR  74           HH       TYR  74   6.866  13.768  -1.594
  592    H    SER  75           H        SER  75   9.195   7.511   4.162
  593    HA   SER  75           HA       SER  75   8.489   5.834   2.009
  594    HB2  SER  75           2HB      SER  75   9.741   4.198   3.230
  595    HB3  SER  75           3HB      SER  75  10.490   5.773   3.495
  596    HG   SER  75           HG       SER  75  10.277   4.666   5.475
  597    H    ALA  76           H        ALA  76   7.883   3.415   2.755
  598    HA   ALA  76           HA       ALA  76   5.118   3.149   3.154
  599    HB1  ALA  76           1HB      ALA  76   5.652   0.785   3.497
  600    HB2  ALA  76           2HB      ALA  76   6.640   1.442   2.182
  601    HB3  ALA  76           3HB      ALA  76   7.360   1.175   3.788
  602    H    SER  77           H        SER  77   7.525   3.790   5.623
  603    HA   SER  77           HA       SER  77   6.091   2.718   7.879
  604    HB2  SER  77           2HB      SER  77   7.571   4.095   9.224
  605    HB3  SER  77           3HB      SER  77   8.500   3.284   7.955
  606    HG   SER  77           HG       SER  77   8.643   5.206   6.827
  607    H    GLN  78           H        GLN  78   5.453   5.449   5.859
  608    HA   GLN  78           HA       GLN  78   3.621   6.620   7.841
  609    HB2  GLN  78           2HB      GLN  78   4.972   7.954   5.478
  610    HB3  GLN  78           3HB      GLN  78   3.879   8.715   6.641
  611    HG2  GLN  78           2HG      GLN  78   5.503   8.081   8.494
  612    HG3  GLN  78           3HG      GLN  78   6.613   7.521   7.246
  613   HE21  GLN  78          2HE2      GLN  78   8.193   9.047   7.989
  614   HE22  GLN  78          1HE2      GLN  78   8.084  10.684   7.366
  615    H    LEU  79           H        LEU  79   3.023   4.299   6.116
  616    HA   LEU  79           HA       LEU  79   0.749   5.265   4.493
  617    HB2  LEU  79           2HB      LEU  79   1.711   2.505   5.354
  618    HB3  LEU  79           3HB      LEU  79   0.228   2.761   4.459
  619    HG   LEU  79           HG       LEU  79   2.796   3.809   3.280
  620   HD11  LEU  79          1HD1      LEU  79   3.275   1.402   3.935
  621   HD12  LEU  79          2HD1      LEU  79   1.926   0.911   2.919
  622   HD13  LEU  79          3HD1      LEU  79   3.315   1.724   2.193
  623   HD21  LEU  79          3HD2      LEU  79   1.685   3.514   1.225
  624   HD22  LEU  79          1HD2      LEU  79   0.520   2.369   1.898
  625   HD23  LEU  79          2HD2      LEU  79   0.417   4.073   2.326
  626    H    LYS  80           H        LYS  80  -1.372   5.287   5.147
  627    HA   LYS  80           HA       LYS  80  -2.111   5.584   7.859
  628    HB2  LYS  80           2HB      LYS  80  -3.954   4.633   5.624
  629    HB3  LYS  80           3HB      LYS  80  -4.444   5.278   7.176
  630    HG2  LYS  80           2HG      LYS  80  -3.478   7.442   6.656
  631    HG3  LYS  80           3HG      LYS  80  -2.878   6.840   5.097
  632    HD2  LYS  80           2HD      LYS  80  -5.824   6.586   5.654
  633    HD3  LYS  80           3HD      LYS  80  -5.199   8.208   5.353
  634    HE2  LYS  80           2HE      LYS  80  -4.515   7.744   3.166
  635    HE3  LYS  80           3HE      LYS  80  -4.403   6.019   3.456
  636    HZ1  LYS  80           3HZ      LYS  80  -6.892   6.005   3.619
  637    HZ2  LYS  80           1HZ      LYS  80  -6.924   7.566   3.154
  638    HZ3  LYS  80           2HZ      LYS  80  -6.371   6.398   2.140
  639    H    GLY  81           H        GLY  81  -2.262   4.218   9.498
  640    HA2  GLY  81           2HA      GLY  81  -2.729   2.319  10.727
  641    HA3  GLY  81           3HA      GLY  81  -3.384   1.555   9.280
  642    H    PHE  82           H        PHE  82  -0.077   2.567   8.785
  643    HA   PHE  82           HA       PHE  82   0.890  -0.015   8.257
  644    HB2  PHE  82           2HB      PHE  82   2.049   1.837   7.380
  645    HB3  PHE  82           3HB      PHE  82   2.169   2.642   8.933
  646    HD1  PHE  82           HD1      PHE  82   3.644  -0.036   6.805
  647    HD2  PHE  82           HD2      PHE  82   3.890   2.159  10.503
  648    HE1  PHE  82           HE1      PHE  82   5.917  -0.949   7.197
  649    HE2  PHE  82           HE2      PHE  82   6.162   1.214  10.913
  650    HZ   PHE  82           HZ       PHE  82   7.163  -0.355   9.257
  651    H    SER  83           H        SER  83   1.262   1.881  11.286
  652    HA   SER  83           HA       SER  83   2.807   0.006  12.702
  653    HB2  SER  83           2HB      SER  83   0.836   2.103  13.674
  654    HB3  SER  83           3HB      SER  83   1.987   1.245  14.726
  655    HG   SER  83           HG       SER  83   3.650   2.007  13.198
  656    H    LEU  84           H        LEU  84  -0.571  -0.232  11.954
  657    HA   LEU  84           HA       LEU  84  -1.219  -2.042  14.189
  658    HB2  LEU  84           2HB      LEU  84  -2.911  -1.159  11.824
  659    HB3  LEU  84           3HB      LEU  84  -3.475  -1.979  13.271
  660    HG   LEU  84           HG       LEU  84  -2.348   0.856  13.161
  661   HD11  LEU  84          1HD1      LEU  84  -4.582   0.614  12.149
  662   HD12  LEU  84          2HD1      LEU  84  -5.176  -0.165  13.633
  663   HD13  LEU  84          3HD1      LEU  84  -4.646   1.532  13.663
  664   HD21  LEU  84          3HD2      LEU  84  -3.532  -0.706  15.500
  665   HD22  LEU  84          1HD2      LEU  84  -1.845  -0.156  15.347
  666   HD23  LEU  84          2HD2      LEU  84  -3.144   1.030  15.505
  667    H    LEU  85           H        LEU  85   0.196  -2.447  11.100
  668    HA   LEU  85           HA       LEU  85  -0.874  -5.084  10.497
  669    HB2  LEU  85           2HB      LEU  85   1.456  -3.436   9.518
  670    HB3  LEU  85           3HB      LEU  85   1.409  -5.147   9.162
  671    HG   LEU  85           HG       LEU  85  -0.704  -4.929   7.974
  672   HD11  LEU  85          1HD1      LEU  85  -1.578  -2.679   7.379
  673   HD12  LEU  85          2HD1      LEU  85  -1.790  -3.052   9.091
  674   HD13  LEU  85          3HD1      LEU  85  -0.486  -1.957   8.574
  675   HD21  LEU  85          3HD2      LEU  85   1.435  -4.626   6.778
  676   HD22  LEU  85          1HD2      LEU  85   0.137  -3.672   6.051
  677   HD23  LEU  85          2HD2      LEU  85   1.354  -2.876   7.076
  678    H    ALA  86           H        ALA  86   0.595  -7.044  10.408
  679    HA   ALA  86           HA       ALA  86   1.763  -7.647  12.999
  680    HB1  ALA  86           1HB      ALA  86   2.309  -9.797  11.965
  681    HB2  ALA  86           2HB      ALA  86   0.636  -9.347  11.575
  682    HB3  ALA  86           3HB      ALA  86   1.916  -9.157  10.357
  683    H    THR  87           H        THR  87   3.962  -7.963  13.494
  684    HA   THR  87           HA       THR  87   5.742  -6.004  12.674
  685    HB   THR  87           HB       THR  87   6.549  -8.719  13.752
  686    HG1  THR  87           1HG      THR  87   6.122  -7.821  15.780
  687   HG21  THR  87          1HG2      THR  87   7.724  -5.923  14.155
  688   HG22  THR  87          2HG2      THR  87   8.271  -7.398  14.985
  689   HG23  THR  87          3HG2      THR  87   8.472  -7.248  13.236
  690    H    GLU  88           H        GLU  88   5.579  -9.364  11.418
  691    HA   GLU  88           HA       GLU  88   7.927  -9.185   9.798
  692    HB2  GLU  88           2HB      GLU  88   7.139 -11.195   8.720
  693    HB3  GLU  88           3HB      GLU  88   6.925 -11.302  10.465
  694    HG2  GLU  88           2HG      GLU  88   4.485 -10.722  10.153
  695    HG3  GLU  88           3HG      GLU  88   4.740 -10.762   8.406
  696    H    ASP  89           H        ASP  89   4.591  -8.132   9.126
  697    HA   ASP  89           HA       ASP  89   5.192  -7.548   6.301
  698    HB2  ASP  89           2HB      ASP  89   2.803  -6.890   8.053
  699    HB3  ASP  89           3HB      ASP  89   2.950  -6.470   6.347
  700    H    LYS  90           H        LYS  90   4.925  -5.707   9.359
  701    HA   LYS  90           HA       LYS  90   5.376  -3.085   8.293
  702    HB2  LYS  90           2HB      LYS  90   5.990  -4.363  10.988
  703    HB3  LYS  90           3HB      LYS  90   6.321  -2.656  10.654
  704    HG2  LYS  90           2HG      LYS  90   4.047  -2.143  10.265
  705    HG3  LYS  90           3HG      LYS  90   3.588  -3.842  10.124
  706    HD2  LYS  90           2HD      LYS  90   2.780  -2.926  12.197
  707    HD3  LYS  90           3HD      LYS  90   3.942  -4.226  12.487
  708    HE2  LYS  90           2HE      LYS  90   5.685  -2.571  13.036
  709    HE3  LYS  90           3HE      LYS  90   4.574  -1.250  12.648
  710    HZ1  LYS  90           3HZ      LYS  90   4.189  -3.237  14.832
  711    HZ2  LYS  90           1HZ      LYS  90   4.594  -1.671  15.042
  712    HZ3  LYS  90           2HZ      LYS  90   3.111  -2.069  14.459
  713    H    GLU  91           H        GLU  91   7.736  -5.548   9.360
  714    HA   GLU  91           HA       GLU  91  10.057  -3.980   8.606
  715    HB2  GLU  91           2HB      GLU  91   9.661  -6.971   8.988
  716    HB3  GLU  91           3HB      GLU  91  11.222  -6.214   8.679
  717    HG2  GLU  91           2HG      GLU  91   9.448  -5.592  11.079
  718    HG3  GLU  91           3HG      GLU  91  10.804  -6.707  11.086
  719    H    ALA  92           H        ALA  92   8.195  -6.528   6.815
  720    HA   ALA  92           HA       ALA  92   9.915  -6.520   4.555
  721    HB1  ALA  92           1HB      ALA  92   6.976  -7.242   4.758
  722    HB2  ALA  92           2HB      ALA  92   8.078  -7.695   3.438
  723    HB3  ALA  92           3HB      ALA  92   8.358  -8.322   5.073
  724    H    LEU  93           H        LEU  93   7.082  -4.411   5.202
  725    HA   LEU  93           HA       LEU  93   7.003  -3.254   2.559
  726    HB2  LEU  93           2HB      LEU  93   6.046  -2.324   5.291
  727    HB3  LEU  93           3HB      LEU  93   5.759  -1.406   3.818
  728    HG   LEU  93           HG       LEU  93   4.775  -4.262   4.204
  729   HD11  LEU  93          1HD1      LEU  93   3.303  -1.609   4.506
  730   HD12  LEU  93          2HD1      LEU  93   2.573  -3.229   4.585
  731   HD13  LEU  93          3HD1      LEU  93   3.731  -2.726   5.824
  732   HD21  LEU  93          3HD2      LEU  93   3.293  -3.736   2.321
  733   HD22  LEU  93          1HD2      LEU  93   4.053  -2.137   2.153
  734   HD23  LEU  93          2HD2      LEU  93   4.988  -3.620   1.839
  735    H    LYS  94           H        LYS  94   8.687  -2.224   5.570
  736    HA   LYS  94           HA       LYS  94  10.025   0.047   4.368
  737    HB2  LYS  94           2HB      LYS  94  10.718  -1.689   6.765
  738    HB3  LYS  94           3HB      LYS  94  11.577  -0.209   6.327
  739    HG2  LYS  94           2HG      LYS  94   9.508   1.117   6.597
  740    HG3  LYS  94           3HG      LYS  94   8.617  -0.334   7.061
  741    HD2  LYS  94           2HD      LYS  94  10.989   0.866   8.562
  742    HD3  LYS  94           3HD      LYS  94   9.287   0.992   9.035
  743    HE2  LYS  94           2HE      LYS  94   9.167  -1.493   9.242
  744    HE3  LYS  94           3HE      LYS  94  10.867  -1.610   8.790
  745    HZ1  LYS  94           3HZ      LYS  94   9.840  -0.319  11.251
  746    HZ2  LYS  94           1HZ      LYS  94  10.663  -1.742  11.127
  747    HZ3  LYS  94           2HZ      LYS  94  11.417  -0.328  10.793
  748    H    LYS  95           H        LYS  95  10.968  -3.399   4.750
  749    HA   LYS  95           HA       LYS  95  13.601  -3.032   3.738
  750    HB2  LYS  95           2HB      LYS  95  11.831  -5.480   3.925
  751    HB3  LYS  95           3HB      LYS  95  13.422  -5.565   3.164
  752    HG2  LYS  95           2HG      LYS  95  14.482  -4.626   5.200
  753    HG3  LYS  95           3HG      LYS  95  12.931  -4.638   6.028
  754    HD2  LYS  95           2HD      LYS  95  14.423  -7.068   4.942
  755    HD3  LYS  95           3HD      LYS  95  14.332  -6.565   6.636
  756    HE2  LYS  95           2HE      LYS  95  11.850  -6.879   6.575
  757    HE3  LYS  95           3HE      LYS  95  11.983  -7.462   4.909
  758    HZ1  LYS  95           3HZ      LYS  95  13.262  -8.753   7.263
  759    HZ2  LYS  95           1HZ      LYS  95  11.942  -9.314   6.483
  760    HZ3  LYS  95           2HZ      LYS  95  13.384  -9.283   5.723
  761    H    GLN  96           H        GLN  96  10.646  -3.213   1.956
  762    HA   GLN  96           HA       GLN  96  12.053  -3.475  -0.657
  763    HB2  GLN  96           2HB      GLN  96   9.113  -3.404   0.108
  764    HB3  GLN  96           3HB      GLN  96   9.718  -3.489  -1.554
  765    HG2  GLN  96           2HG      GLN  96  10.740  -5.635  -1.201
  766    HG3  GLN  96           3HG      GLN  96  10.448  -5.575   0.538
  767   HE21  GLN  96          2HE2      GLN  96   8.186  -5.587   1.294
  768   HE22  GLN  96          1HE2      GLN  96   6.979  -6.424   0.305
  769    H    LEU  97           H        LEU  97  10.229  -1.094   1.290
  770    HA   LEU  97           HA       LEU  97  11.293   1.075  -0.437
  771    HB2  LEU  97           2HB      LEU  97   9.060   0.502  -1.189
  772    HB3  LEU  97           3HB      LEU  97   8.404   0.697   0.432
  773    HG   LEU  97           HG       LEU  97   8.740   3.098   0.364
  774   HD11  LEU  97          1HD1      LEU  97   9.663   4.229  -1.653
  775   HD12  LEU  97          2HD1      LEU  97  10.884   3.290  -0.797
  776   HD13  LEU  97          3HD1      LEU  97  10.166   2.641  -2.291
  777   HD21  LEU  97          3HD2      LEU  97   7.667   2.075  -2.297
  778   HD22  LEU  97          1HD2      LEU  97   6.769   2.168  -0.769
  779   HD23  LEU  97          2HD2      LEU  97   7.316   3.650  -1.560
  780    HA   PRO  98           HA       PRO  98  11.888   2.043   4.006
  781    HB2  PRO  98           2HB      PRO  98  14.634   2.253   4.071
  782    HB3  PRO  98           3HB      PRO  98  13.732   0.728   4.237
  783    HG2  PRO  98           2HG      PRO  98  15.290   1.724   1.899
  784    HG3  PRO  98           3HG      PRO  98  14.851   0.045   2.353
  785    HD2  PRO  98           2HD      PRO  98  13.579   1.741   0.405
  786    HD3  PRO  98           3HD      PRO  98  13.122   0.094   0.915
  787    H    GLY  99           H        GLY  99  12.575   4.066   5.085
  788    HA2  GLY  99           2HA      GLY  99  12.597   6.427   3.360
  789    HA3  GLY  99           3HA      GLY  99  12.489   6.380   5.118
  790    H    VAL 100           H        VAL 100  13.958   8.105   5.157
  791    HA   VAL 100           HA       VAL 100  16.564   8.231   4.151
  792    HB   VAL 100           HB       VAL 100  15.494   9.336   6.777
  793   HG11  VAL 100          1HG1      VAL 100  18.099   9.944   5.301
  794   HG12  VAL 100          2HG1      VAL 100  17.416  10.948   6.604
  795   HG13  VAL 100          3HG1      VAL 100  17.921   9.296   6.950
  796   HG21  VAL 100          3HG2      VAL 100  15.929  10.598   4.031
  797   HG22  VAL 100          1HG2      VAL 100  14.357  10.205   4.764
  798   HG23  VAL 100          2HG2      VAL 100  15.374  11.451   5.488
  799    H    LYS 101           H        LYS 101  18.473   7.538   4.646
  800    HA   LYS 101           HA       LYS 101  18.690   5.244   6.520
  801    HB2  LYS 101           2HB      LYS 101  18.784   5.203   3.858
  802    HB3  LYS 101           3HB      LYS 101  20.486   5.610   4.126
  803    HG2  LYS 101           2HG      LYS 101  20.687   3.612   5.594
  804    HG3  LYS 101           3HG      LYS 101  18.959   3.281   5.362
  805    HD2  LYS 101           2HD      LYS 101  19.326   2.985   2.934
  806    HD3  LYS 101           3HD      LYS 101  21.049   3.322   3.123
  807    HE2  LYS 101           2HE      LYS 101  19.571   1.010   4.467
  808    HE3  LYS 101           3HE      LYS 101  20.419   0.878   2.925
  809    HZ1  LYS 101           3HZ      LYS 101  21.841   0.161   4.734
  810    HZ2  LYS 101           1HZ      LYS 101  22.480   1.502   4.063
  811    HZ3  LYS 101           2HZ      LYS 101  21.709   1.595   5.503
  812    H    SER 102           H        SER 102  19.638   8.285   6.824
  813    HA   SER 102           HA       SER 102  22.459   8.226   7.194
  814    HB2  SER 102           2HB      SER 102  22.110  10.355   8.400
  815    HB3  SER 102           3HB      SER 102  21.244  10.289   6.857
  816    HG   SER 102           HG       SER 102  19.951  11.103   8.605
  817    H    GLU 103           H        GLU 103  20.024   6.925   9.264
  818    HA   GLU 103           HA       GLU 103  21.380   6.994  11.787
  819    HB2  GLU 103           2HB      GLU 103  19.031   6.595  11.564
  820    HB3  GLU 103           3HB      GLU 103  19.270   5.166  10.577
  821    HG2  GLU 103           2HG      GLU 103  20.524   5.095  13.309
  822    HG3  GLU 103           3HG      GLU 103  18.770   5.186  13.262
  823    H    GLY 104           H        GLY 104  21.741   4.826   9.003
  824    HA2  GLY 104           2HA      GLY 104  23.480   3.531   8.344
  825    HA3  GLY 104           3HA      GLY 104  24.435   4.433   9.514
  826    H    LYS 105           H        LYS 105  22.076   2.595  11.155
  827    HA   LYS 105           HA       LYS 105  24.061   0.413  11.787
  828    HB2  LYS 105           2HB      LYS 105  22.359   2.150  13.610
  829    HB3  LYS 105           3HB      LYS 105  23.196   0.694  14.157
  830    HG2  LYS 105           2HG      LYS 105  25.368   1.610  13.547
  831    HG3  LYS 105           3HG      LYS 105  24.631   3.073  12.891
  832    HD2  LYS 105           2HD      LYS 105  24.433   2.207  15.805
  833    HD3  LYS 105           3HD      LYS 105  25.610   3.363  15.162
  834    HE2  LYS 105           2HE      LYS 105  23.739   4.808  14.355
  835    HE3  LYS 105           3HE      LYS 105  22.576   3.690  15.076
  836    HZ1  LYS 105           3HZ      LYS 105  23.573   4.161  17.254
  837    HZ2  LYS 105           1HZ      LYS 105  24.645   5.199  16.586
  838    HZ3  LYS 105           2HZ      LYS 105  23.052   5.546  16.567
  839    H    ARG 106           H        ARG 106  20.767   1.072  11.031
  840    HA   ARG 106           HA       ARG 106  19.352  -0.880  12.297
  841    HB2  ARG 106           2HB      ARG 106  18.586   1.023  10.778
  842    HB3  ARG 106           3HB      ARG 106  18.868  -0.029   9.408
  843    HG2  ARG 106           2HG      ARG 106  16.490   0.153  10.134
  844    HG3  ARG 106           3HG      ARG 106  17.078  -1.502  10.080
  845    HD2  ARG 106           2HD      ARG 106  15.621  -0.988  12.037
  846    HD3  ARG 106           3HD      ARG 106  17.200  -1.644  12.476
  847    HE   ARG 106           HE       ARG 106  17.616   1.094  12.611
  848   HH11  ARG 106          1HH2      ARG 106  15.316  -1.013  14.246
  849   HH12  ARG 106          2HH2      ARG 106  15.280   0.024  15.647
  850   HH21  ARG 106          1HH1      ARG 106  17.557   2.258  14.304
  851   HH22  ARG 106          2HH1      ARG 106  16.534   1.890  15.699
  852    H    LYS 107           H        LYS 107  21.604  -1.669   9.802
  853    HA   LYS 107           HA       LYS 107  20.679  -4.278   9.017
  854    HB2  LYS 107           2HB      LYS 107  23.441  -3.016   9.259
  855    HB3  LYS 107           3HB      LYS 107  23.211  -4.683   8.727
  856    HG2  LYS 107           2HG      LYS 107  21.822  -3.971   6.844
  857    HG3  LYS 107           3HG      LYS 107  21.894  -2.290   7.382
  858    HD2  LYS 107           2HD      LYS 107  23.416  -2.629   5.528
  859    HD3  LYS 107           3HD      LYS 107  24.325  -2.233   6.992
  860    HE2  LYS 107           2HE      LYS 107  24.888  -4.630   7.300
  861    HE3  LYS 107           3HE      LYS 107  23.932  -5.052   5.874
  862    HZ1  LYS 107           3HZ      LYS 107  26.344  -4.831   5.391
  863    HZ2  LYS 107           1HZ      LYS 107  25.463  -3.763   4.519
  864    HZ3  LYS 107           2HZ      LYS 107  26.309  -3.264   5.828
  865    H    GLY 108           H        GLY 108  22.237  -3.225  12.027
  866    HA2  GLY 108           2HA      GLY 108  22.582  -4.336  14.008
  867    HA3  GLY 108           3HA      GLY 108  21.290  -5.427  13.495
  868    H    ASP 109           H        ASP 109  24.440  -5.067  11.898
  869    HA   ASP 109           HA       ASP 109  25.987  -6.522  11.228
  870    HB2  ASP 109           2HB      ASP 109  26.503  -6.396  13.679
  871    HB3  ASP 109           3HB      ASP 109  25.673  -7.937  13.885
  872    H    GLU 110           H        GLU 110  23.162  -7.169  10.619
  873    HA   GLU 110           HA       GLU 110  23.630  -9.906   9.515
  874    HB2  GLU 110           2HB      GLU 110  20.999  -8.740  10.524
  875    HB3  GLU 110           3HB      GLU 110  21.167 -10.239   9.610
  876    HG2  GLU 110           2HG      GLU 110  22.644 -11.154  11.411
  877    HG3  GLU 110           3HG      GLU 110  22.331  -9.707  12.371
  878    H    VAL 111           H        VAL 111  22.120 -10.256   7.571
  879    HA   VAL 111           HA       VAL 111  21.811  -9.835   5.372
  880    HB   VAL 111           HB       VAL 111  20.764  -7.089   6.113
  881   HG11  VAL 111          1HG1      VAL 111  19.175  -7.559   4.283
  882   HG12  VAL 111          2HG1      VAL 111  20.827  -7.676   3.678
  883   HG13  VAL 111          3HG1      VAL 111  19.909  -9.155   4.024
  884   HG21  VAL 111          3HG2      VAL 111  19.359  -9.781   6.414
  885   HG22  VAL 111          1HG2      VAL 111  19.736  -8.626   7.716
  886   HG23  VAL 111          2HG2      VAL 111  18.561  -8.193   6.479
  887    H    ASP 112           H        ASP 112  24.293  -9.801   5.704
  888    HA   ASP 112           HA       ASP 112  25.473  -7.517   4.192
  889    HB2  ASP 112           2HB      ASP 112  25.819  -7.228   6.647
  890    HB3  ASP 112           3HB      ASP 112  26.653  -8.778   6.699
  Start of MODEL   26
    1    H1   GLY   1           H1       GLY   1  -0.074  17.784  22.734
    2    H2   GLY   1           H2       GLY   1  -1.352  18.507  22.006
    3    H3   GLY   1           H3       GLY   1   0.124  18.541  21.296
    4    HA2  GLY   1           2HA      GLY   1  -1.517  16.130  21.736
    5    HA3  GLY   1           3HA      GLY   1  -1.281  16.943  20.179
    6    H    SER   2           H        SER   2  -0.507  14.840  19.437
    7    HA   SER   2           HA       SER   2   1.786  13.521  20.479
    8    HB2  SER   2           2HB      SER   2   0.679  13.468  17.647
    9    HB3  SER   2           3HB      SER   2   1.778  12.278  18.369
   10    HG   SER   2           HG       SER   2  -0.424  11.607  18.463
   11    H    LYS   3           H        LYS   3   3.927  13.384  19.780
   12    HA   LYS   3           HA       LYS   3   5.166  15.863  18.914
   13    HB2  LYS   3           2HB      LYS   3   6.356  13.081  19.305
   14    HB3  LYS   3           3HB      LYS   3   7.280  14.561  19.114
   15    HG2  LYS   3           2HG      LYS   3   5.440  13.852  21.438
   16    HG3  LYS   3           3HG      LYS   3   7.196  13.893  21.454
   17    HD2  LYS   3           2HD      LYS   3   5.351  16.303  21.146
   18    HD3  LYS   3           3HD      LYS   3   6.258  15.837  22.587
   19    HE2  LYS   3           2HE      LYS   3   8.397  16.119  21.332
   20    HE3  LYS   3           3HE      LYS   3   7.486  16.647  19.912
   21    HZ1  LYS   3           3HZ      LYS   3   7.497  18.034  22.540
   22    HZ2  LYS   3           1HZ      LYS   3   8.281  18.540  21.203
   23    HZ3  LYS   3           2HZ      LYS   3   6.650  18.523  21.231
   24    H    ALA   4           H        ALA   4   4.111  13.087  17.149
   25    HA   ALA   4           HA       ALA   4   4.871  14.387  14.620
   26    HB1  ALA   4           1HB      ALA   4   5.599  11.491  15.267
   27    HB2  ALA   4           2HB      ALA   4   5.798  12.291  13.692
   28    HB3  ALA   4           3HB      ALA   4   6.748  12.836  15.085
   29    H    GLU   5           H        GLU   5   3.621  13.654  12.820
   30    HA   GLU   5           HA       GLU   5   0.978  12.494  13.567
   31    HB2  GLU   5           2HB      GLU   5   0.053  13.730  11.743
   32    HB3  GLU   5           3HB      GLU   5   1.011  14.802  12.759
   33    HG2  GLU   5           2HG      GLU   5   2.907  14.608  11.104
   34    HG3  GLU   5           3HG      GLU   5   1.859  13.641  10.066
   35    H    LYS   6           H        LYS   6   3.702  11.280  12.324
   36    HA   LYS   6           HA       LYS   6   4.372   9.658  10.887
   37    HB2  LYS   6           2HB      LYS   6   1.676   8.458  11.569
   38    HB3  LYS   6           3HB      LYS   6   3.018   7.606  10.789
   39    HG2  LYS   6           2HG      LYS   6   4.466   8.108  12.760
   40    HG3  LYS   6           3HG      LYS   6   3.083   8.848  13.576
   41    HD2  LYS   6           2HD      LYS   6   3.261   5.940  12.669
   42    HD3  LYS   6           3HD      LYS   6   3.502   6.531  14.320
   43    HE2  LYS   6           2HE      LYS   6   1.161   7.445  14.302
   44    HE3  LYS   6           3HE      LYS   6   0.923   6.734  12.699
   45    HZ1  LYS   6           3HZ      LYS   6   1.371   4.539  13.690
   46    HZ2  LYS   6           1HZ      LYS   6   1.544   5.209  15.171
   47    HZ3  LYS   6           2HZ      LYS   6   0.093   5.257  14.423
   48    H    THR   7           H        THR   7   1.312   8.816   9.564
   49    HA   THR   7           HA       THR   7   2.033   8.585   7.012
   50    HB   THR   7           HB       THR   7  -0.675   9.641   7.797
   51    HG1  THR   7           1HG      THR   7  -1.164   7.666   8.498
   52   HG21  THR   7          1HG2      THR   7  -0.005   8.984   5.248
   53   HG22  THR   7          2HG2      THR   7  -0.369   7.395   5.851
   54   HG23  THR   7          3HG2      THR   7  -1.578   8.703   5.939
   55    H    LEU   8           H        LEU   8   2.173   9.671   5.116
   56    HA   LEU   8           HA       LEU   8   2.288  12.597   5.196
   57    HB2  LEU   8           2HB      LEU   8   2.928  12.580   2.911
   58    HB3  LEU   8           3HB      LEU   8   3.928  11.538   3.883
   59    HG   LEU   8           HG       LEU   8   3.226   9.589   2.817
   60   HD11  LEU   8          1HD1      LEU   8   0.845   9.649   2.793
   61   HD12  LEU   8          2HD1      LEU   8   0.839  11.056   1.657
   62   HD13  LEU   8          3HD1      LEU   8   1.379   9.453   1.141
   63   HD21  LEU   8          3HD2      LEU   8   4.643  11.018   1.450
   64   HD22  LEU   8          1HD2      LEU   8   3.533  10.129   0.402
   65   HD23  LEU   8          2HD2      LEU   8   3.219  11.827   0.753
   66    H    GLY   9           H        GLY   9  -0.419  10.685   4.968
   67    HA2  GLY   9           2HA      GLY   9  -2.582  11.475   4.975
   68    HA3  GLY   9           3HA      GLY   9  -2.029  13.038   4.387
   69    H    ASP  10           H        ASP  10  -1.135  10.236   2.458
   70    HA   ASP  10           HA       ASP  10  -3.419  10.652   0.647
   71    HB2  ASP  10           2HB      ASP  10  -1.073  11.988   0.180
   72    HB3  ASP  10           3HB      ASP  10  -0.784  10.495  -0.720
   73    H    PHE  11           H        PHE  11  -1.481   8.311   2.158
   74    HA   PHE  11           HA       PHE  11  -2.813   6.272   0.570
   75    HB2  PHE  11           2HB      PHE  11  -0.620   4.992   0.223
   76    HB3  PHE  11           3HB      PHE  11  -1.085   6.262  -0.865
   77    HD1  PHE  11           HD2      PHE  11   0.858   6.356   2.413
   78    HD2  PHE  11           HD1      PHE  11   0.755   7.182  -1.826
   79    HE1  PHE  11           HE2      PHE  11   3.217   7.080   2.486
   80    HE2  PHE  11           HE1      PHE  11   3.087   8.001  -1.715
   81    HZ   PHE  11           HZ       PHE  11   4.333   7.911   0.436
   82    H    ALA  12           H        ALA  12  -2.661   4.120   1.355
   83    HA   ALA  12           HA       ALA  12  -2.416   3.928   4.313
   84    HB1  ALA  12           1HB      ALA  12  -4.725   3.124   4.415
   85    HB2  ALA  12           2HB      ALA  12  -4.690   4.734   3.660
   86    HB3  ALA  12           3HB      ALA  12  -4.888   3.288   2.657
   87    H    ALA  13           H        ALA  13  -2.547   1.796   5.158
   88    HA   ALA  13           HA       ALA  13  -2.096  -0.492   3.297
   89    HB1  ALA  13           1HB      ALA  13  -0.490   0.224   5.793
   90    HB2  ALA  13           2HB      ALA  13  -0.178  -1.121   4.659
   91    HB3  ALA  13           3HB      ALA  13   0.013   0.568   4.132
   92    H    GLU  14           H        GLU  14  -2.952  -2.533   4.018
   93    HA   GLU  14           HA       GLU  14  -3.898  -2.924   6.719
   94    HB2  GLU  14           2HB      GLU  14  -6.234  -3.270   6.210
   95    HB3  GLU  14           3HB      GLU  14  -5.810  -1.609   5.822
   96    HG2  GLU  14           2HG      GLU  14  -5.806  -2.092   3.445
   97    HG3  GLU  14           3HG      GLU  14  -5.960  -3.825   3.731
   98    H    TYR  15           H        TYR  15  -4.991  -5.175   6.821
   99    HA   TYR  15           HA       TYR  15  -3.906  -7.028   4.780
  100    HB2  TYR  15           2HB      TYR  15  -5.567  -7.503   7.269
  101    HB3  TYR  15           3HB      TYR  15  -4.969  -8.753   6.181
  102    HD1  TYR  15           HD1      TYR  15  -2.320  -8.410   5.585
  103    HD2  TYR  15           HD2      TYR  15  -4.222  -6.983   9.163
  104    HE1  TYR  15           HE1      TYR  15  -0.204  -8.805   6.865
  105    HE2  TYR  15           HE2      TYR  15  -2.110  -7.336  10.432
  106    HH   TYR  15           HH       TYR  15   0.823  -8.703   8.863
  107    H    ALA  16           H        ALA  16  -4.987  -7.871   3.171
  108    HA   ALA  16           HA       ALA  16  -7.196  -6.613   2.069
  109    HB1  ALA  16           1HB      ALA  16  -5.916  -9.338   1.606
  110    HB2  ALA  16           2HB      ALA  16  -7.053  -8.593   0.476
  111    HB3  ALA  16           3HB      ALA  16  -5.478  -7.824   0.809
  112    H    LYS  17           H        LYS  17  -9.264  -6.613   2.571
  113    HA   LYS  17           HA       LYS  17 -10.386  -8.578   4.358
  114    HB2  LYS  17           2HB      LYS  17 -11.672  -6.231   2.899
  115    HB3  LYS  17           3HB      LYS  17 -12.450  -7.189   4.165
  116    HG2  LYS  17           2HG      LYS  17 -10.607  -6.567   5.743
  117    HG3  LYS  17           3HG      LYS  17  -9.935  -5.492   4.516
  118    HD2  LYS  17           2HD      LYS  17 -12.720  -5.286   5.734
  119    HD3  LYS  17           3HD      LYS  17 -11.339  -4.314   6.222
  120    HE2  LYS  17           2HE      LYS  17 -12.491  -4.306   3.394
  121    HE3  LYS  17           3HE      LYS  17 -13.015  -3.203   4.665
  122    HZ1  LYS  17           3HZ      LYS  17 -10.748  -2.344   4.806
  123    HZ2  LYS  17           1HZ      LYS  17 -10.202  -3.352   3.672
  124    HZ3  LYS  17           2HZ      LYS  17 -11.293  -2.198   3.277
  125    H    SER  18           H        SER  18 -10.834  -8.009   0.878
  126    HA   SER  18           HA       SER  18 -12.202 -10.632   0.595
  127    HB2  SER  18           2HB      SER  18 -13.324  -7.992  -0.446
  128    HB3  SER  18           3HB      SER  18 -13.953  -9.605  -0.832
  129    HG   SER  18           HG       SER  18 -15.119  -8.589   0.870
  130    H    ASN  19           H        ASN  19 -11.863 -11.615  -1.397
  131    HA   ASN  19           HA       ASN  19  -9.680 -10.611  -3.019
  132    HB2  ASN  19           2HB      ASN  19 -10.015 -12.986  -2.314
  133    HB3  ASN  19           3HB      ASN  19 -11.439 -13.078  -3.352
  134   HD21  ASN  19          2HD2      ASN  19  -8.127 -11.678  -3.944
  135   HD22  ASN  19          1HD2      ASN  19  -7.679 -12.949  -5.070
  136    H    ARG  20           H        ARG  20 -12.661  -9.510  -3.074
  137    HA   ARG  20           HA       ARG  20 -13.358  -9.391  -5.908
  138    HB2  ARG  20           2HB      ARG  20 -14.189  -7.737  -3.471
  139    HB3  ARG  20           3HB      ARG  20 -14.939  -7.611  -5.064
  140    HG2  ARG  20           2HG      ARG  20 -14.978 -10.083  -3.275
  141    HG3  ARG  20           3HG      ARG  20 -16.298  -8.938  -3.518
  142    HD2  ARG  20           2HD      ARG  20 -16.346  -9.528  -5.942
  143    HD3  ARG  20           3HD      ARG  20 -15.084 -10.745  -5.648
  144    HE   ARG  20           HE       ARG  20 -17.206 -11.236  -3.831
  145   HH11  ARG  20          1HH2      ARG  20 -16.701 -11.456  -7.293
  146   HH12  ARG  20          2HH2      ARG  20 -17.883 -12.723  -7.476
  147   HH21  ARG  20          1HH1      ARG  20 -18.701 -12.852  -4.137
  148   HH22  ARG  20          2HH1      ARG  20 -18.983 -13.486  -5.731
  149    H    SER  21           H        SER  21 -11.255  -7.519  -3.826
  150    HA   SER  21           HA       SER  21 -11.143  -5.189  -5.555
  151    HB2  SER  21           2HB      SER  21  -9.098  -5.819  -3.453
  152    HB3  SER  21           3HB      SER  21  -9.710  -4.247  -3.970
  153    HG   SER  21           HG       SER  21 -11.728  -4.799  -2.986
  154    H    THR  22           H        THR  22  -9.064  -4.324  -6.434
  155    HA   THR  22           HA       THR  22  -7.364  -6.411  -7.710
  156    HB   THR  22           HB       THR  22  -9.011  -4.337  -9.154
  157    HG1  THR  22           1HG      THR  22 -10.168  -6.093  -9.953
  158   HG21  THR  22          1HG2      THR  22  -8.345  -5.390 -11.246
  159   HG22  THR  22          2HG2      THR  22  -6.894  -4.876 -10.382
  160   HG23  THR  22          3HG2      THR  22  -7.379  -6.589 -10.376
  161    H    CYS  23           HN       CYS  23  -5.391  -5.736  -8.265
  162    HA   CYS  23           HA       CYS  23  -4.402  -3.275  -7.137
  163    HB2  CYS  23           2HB      CYS  23  -3.111  -5.222  -6.868
  164    HB3  CYS  23           3HB      CYS  23  -3.334  -5.684  -8.553
  165    H    LYS  24           H        LYS  24  -4.621  -1.424  -8.169
  166    HA   LYS  24           HA       LYS  24  -4.845  -1.094 -11.079
  167    HB2  LYS  24           2HB      LYS  24  -4.642   0.759  -8.696
  168    HB3  LYS  24           3HB      LYS  24  -4.460   1.382 -10.336
  169    HG2  LYS  24           2HG      LYS  24  -6.738   1.654  -9.731
  170    HG3  LYS  24           3HG      LYS  24  -6.639   0.437 -10.991
  171    HD2  LYS  24           2HD      LYS  24  -7.119  -1.346  -9.428
  172    HD3  LYS  24           3HD      LYS  24  -6.845  -0.283  -8.043
  173    HE2  LYS  24           2HE      LYS  24  -9.208  -0.639  -8.272
  174    HE3  LYS  24           3HE      LYS  24  -8.845   1.046  -8.638
  175    HZ1  LYS  24           3HZ      LYS  24  -9.013   0.478 -11.023
  176    HZ2  LYS  24           1HZ      LYS  24  -9.376  -1.079 -10.653
  177    HZ3  LYS  24           2HZ      LYS  24 -10.397   0.117 -10.243
  178    H    GLY  25           H        GLY  25  -2.200  -1.665  -9.074
  179    HA2  GLY  25           2HA      GLY  25  -0.131  -0.271 -10.569
  180    HA3  GLY  25           3HA      GLY  25   0.087  -1.590  -9.414
  181    H    CYS  26           HN       CYS  26  -1.605  -3.485 -10.856
  182    HA   CYS  26           HA       CYS  26  -0.243  -3.788 -13.479
  183    HB2  CYS  26           2HB      CYS  26   0.443  -6.035 -13.096
  184    HB3  CYS  26           3HB      CYS  26   1.093  -5.030 -11.801
  185    H    MET  27           H        MET  27  -3.209  -3.892 -11.987
  186    HA   MET  27           HA       MET  27  -5.258  -4.521 -12.519
  187    HB2  MET  27           2HB      MET  27  -4.262  -4.864 -15.354
  188    HB3  MET  27           3HB      MET  27  -5.952  -4.833 -14.871
  189    HG2  MET  27           2HG      MET  27  -4.194  -2.489 -14.134
  190    HG3  MET  27           3HG      MET  27  -4.704  -2.697 -15.795
  191    HE1  MET  27           3HE      MET  27  -7.685  -1.920 -12.321
  192    HE2  MET  27           1HE      MET  27  -7.250  -3.595 -12.709
  193    HE3  MET  27           2HE      MET  27  -6.005  -2.471 -12.119
  194    H    GLU  28           H        GLU  28  -4.171  -6.289 -11.056
  195    HA   GLU  28           HA       GLU  28  -5.527  -8.753 -11.969
  196    HB2  GLU  28           2HB      GLU  28  -2.723  -8.788 -10.777
  197    HB3  GLU  28           3HB      GLU  28  -3.797 -10.180 -10.903
  198    HG2  GLU  28           2HG      GLU  28  -3.895  -9.790 -13.409
  199    HG3  GLU  28           3HG      GLU  28  -2.618  -8.586 -13.208
  200    H    LYS  29           H        LYS  29  -6.294 -10.078 -10.201
  201    HA   LYS  29           HA       LYS  29  -7.484  -8.423  -8.203
  202    HB2  LYS  29           2HB      LYS  29  -8.354 -10.579  -7.259
  203    HB3  LYS  29           3HB      LYS  29  -8.787 -10.227  -8.930
  204    HG2  LYS  29           2HG      LYS  29  -7.370 -11.897  -9.809
  205    HG3  LYS  29           3HG      LYS  29  -6.392 -11.996  -8.343
  206    HD2  LYS  29           2HD      LYS  29  -7.832 -13.970  -8.652
  207    HD3  LYS  29           3HD      LYS  29  -8.118 -13.120  -7.136
  208    HE2  LYS  29           2HE      LYS  29 -10.121 -12.014  -8.144
  209    HE3  LYS  29           3HE      LYS  29  -9.854 -12.930  -9.637
  210    HZ1  LYS  29           3HZ      LYS  29 -10.365 -14.121  -6.958
  211    HZ2  LYS  29           1HZ      LYS  29 -11.475 -14.015  -8.160
  212    HZ3  LYS  29           2HZ      LYS  29 -10.166 -14.975  -8.342
  213    H    ILE  30           H        ILE  30  -7.124  -8.085  -6.108
  214    HA   ILE  30           HA       ILE  30  -4.538  -8.961  -5.003
  215    HB   ILE  30           HB       ILE  30  -6.654  -7.049  -3.991
  216   HG12  ILE  30          2HG1      ILE  30  -3.753  -6.531  -4.803
  217   HG13  ILE  30          3HG1      ILE  30  -5.063  -6.477  -5.969
  218   HG21  ILE  30          1HG2      ILE  30  -3.959  -7.760  -2.727
  219   HG22  ILE  30          2HG2      ILE  30  -5.040  -6.453  -2.218
  220   HG23  ILE  30          3HG2      ILE  30  -5.543  -8.137  -2.022
  221   HD11  ILE  30          3HD1      ILE  30  -4.847  -4.682  -3.526
  222   HD12  ILE  30          1HD1      ILE  30  -4.535  -4.252  -5.212
  223   HD13  ILE  30          2HD1      ILE  30  -6.179  -4.689  -4.717
  224    H    GLU  31           H        GLU  31  -4.214 -10.613  -3.698
  225    HA   GLU  31           HA       GLU  31  -6.306 -12.456  -3.037
  226    HB2  GLU  31           2HB      GLU  31  -3.409 -12.349  -2.167
  227    HB3  GLU  31           3HB      GLU  31  -4.502 -13.709  -1.895
  228    HG2  GLU  31           2HG      GLU  31  -3.636 -12.629  -4.614
  229    HG3  GLU  31           3HG      GLU  31  -3.008 -14.060  -3.815
  230    H    LYS  32           H        LYS  32  -7.240 -13.017  -1.195
  231    HA   LYS  32           HA       LYS  32  -7.641 -11.002   0.851
  232    HB2  LYS  32           2HB      LYS  32  -9.419 -12.506   0.036
  233    HB3  LYS  32           3HB      LYS  32  -8.562 -13.903   0.705
  234    HG2  LYS  32           2HG      LYS  32  -8.853 -13.007   2.991
  235    HG3  LYS  32           3HG      LYS  32  -9.632 -11.552   2.332
  236    HD2  LYS  32           2HD      LYS  32 -11.465 -12.921   1.439
  237    HD3  LYS  32           3HD      LYS  32 -10.659 -14.402   2.007
  238    HE2  LYS  32           2HE      LYS  32 -10.815 -13.603   4.345
  239    HE3  LYS  32           3HE      LYS  32 -11.586 -12.110   3.795
  240    HZ1  LYS  32           3HZ      LYS  32 -12.735 -14.831   3.456
  241    HZ2  LYS  32           1HZ      LYS  32 -13.226 -13.730   4.555
  242    HZ3  LYS  32           2HZ      LYS  32 -13.445 -13.440   2.967
  243    H    GLY  33           H        GLY  33  -7.133 -11.020   2.989
  244    HA2  GLY  33           2HA      GLY  33  -6.126 -11.543   4.983
  245    HA3  GLY  33           3HA      GLY  33  -5.693 -13.122   4.334
  246    H    GLN  34           H        GLN  34  -4.174 -11.393   2.111
  247    HA   GLN  34           HA       GLN  34  -1.688 -10.990   3.690
  248    HB2  GLN  34           2HB      GLN  34  -0.479 -11.059   1.605
  249    HB3  GLN  34           3HB      GLN  34  -1.431 -12.501   1.887
  250    HG2  GLN  34           2HG      GLN  34  -1.625 -12.095  -0.416
  251    HG3  GLN  34           3HG      GLN  34  -3.164 -11.599   0.254
  252   HE21  GLN  34          1HE2      GLN  34  -3.826  -9.447  -0.187
  253   HE22  GLN  34          2HE2      GLN  34  -2.694  -8.184  -0.706
  254    H    VAL  35           H        VAL  35  -0.303  -9.048   2.953
  255    HA   VAL  35           HA       VAL  35  -1.813  -6.718   3.702
  256    HB   VAL  35           HB       VAL  35   1.024  -6.919   2.632
  257   HG11  VAL  35          1HG1      VAL  35   1.345  -4.738   3.795
  258   HG12  VAL  35          2HG1      VAL  35   0.268  -4.602   2.412
  259   HG13  VAL  35          3HG1      VAL  35  -0.404  -4.629   4.063
  260   HG21  VAL  35          3HG2      VAL  35   1.688  -6.732   4.992
  261   HG22  VAL  35          1HG2      VAL  35  -0.010  -6.687   5.495
  262   HG23  VAL  35          2HG2      VAL  35   0.679  -8.158   4.769
  263    H    ARG  36           H        ARG  36  -2.635  -5.042   2.566
  264    HA   ARG  36           HA       ARG  36  -1.941  -4.714  -0.297
  265    HB2  ARG  36           2HB      ARG  36  -4.209  -4.163  -0.926
  266    HB3  ARG  36           3HB      ARG  36  -4.062  -5.829  -0.348
  267    HG2  ARG  36           2HG      ARG  36  -5.162  -5.325   1.726
  268    HG3  ARG  36           3HG      ARG  36  -5.031  -3.590   1.457
  269    HD2  ARG  36           2HD      ARG  36  -7.294  -4.253   1.076
  270    HD3  ARG  36           3HD      ARG  36  -6.570  -3.711  -0.443
  271    HE   ARG  36           HE       ARG  36  -6.211  -6.387  -0.619
  272   HH11  ARG  36          1HH2      ARG  36  -9.056  -4.462  -0.017
  273   HH12  ARG  36          2HH2      ARG  36 -10.052  -5.484  -1.017
  274   HH21  ARG  36          1HH1      ARG  36  -7.638  -7.813  -1.653
  275   HH22  ARG  36          2HH1      ARG  36  -9.338  -7.487  -1.585
  276    H    LEU  37           H        LEU  37  -1.896  -2.610  -1.047
  277    HA   LEU  37           HA       LEU  37  -2.040  -0.462   1.024
  278    HB2  LEU  37           2HB      LEU  37  -0.256  -0.401  -1.423
  279    HB3  LEU  37           3HB      LEU  37  -0.294   0.679  -0.008
  280    HG   LEU  37           HG       LEU  37   1.672  -0.443   0.162
  281   HD11  LEU  37          1HD1      LEU  37  -0.098  -2.031   2.033
  282   HD12  LEU  37          2HD1      LEU  37   1.599  -1.558   2.249
  283   HD13  LEU  37          3HD1      LEU  37   0.329  -0.320   2.214
  284   HD21  LEU  37          3HD2      LEU  37   0.369  -3.183  -0.110
  285   HD22  LEU  37          1HD2      LEU  37   1.242  -2.328  -1.404
  286   HD23  LEU  37          2HD2      LEU  37   2.081  -2.794   0.088
  287    H    SER  38           H        SER  38  -2.796   1.632   0.300
  288    HA   SER  38           HA       SER  38  -3.830   1.755  -2.439
  289    HB2  SER  38           2HB      SER  38  -5.985   2.764  -1.727
  290    HB3  SER  38           3HB      SER  38  -5.804   1.085  -1.247
  291    HG   SER  38           HG       SER  38  -6.564   2.199   0.518
  292    H    LYS  39           H        LYS  39  -4.269   3.792  -3.282
  293    HA   LYS  39           HA       LYS  39  -3.120   6.138  -1.807
  294    HB2  LYS  39           2HB      LYS  39  -1.844   5.683  -3.782
  295    HB3  LYS  39           3HB      LYS  39  -3.298   5.618  -4.790
  296    HG2  LYS  39           2HG      LYS  39  -3.682   7.957  -4.623
  297    HG3  LYS  39           3HG      LYS  39  -2.524   8.143  -3.280
  298    HD2  LYS  39           2HD      LYS  39  -0.660   7.592  -4.725
  299    HD3  LYS  39           3HD      LYS  39  -1.755   7.209  -6.067
  300    HE2  LYS  39           2HE      LYS  39  -0.935   9.305  -6.627
  301    HE3  LYS  39           3HE      LYS  39  -2.531   9.656  -5.958
  302    HZ1  LYS  39           3HZ      LYS  39  -0.712  11.118  -5.126
  303    HZ2  LYS  39           1HZ      LYS  39  -1.480  10.376  -3.907
  304    HZ3  LYS  39           2HZ      LYS  39   0.001   9.834  -4.400
  305    H    LYS  40           H        LYS  40  -4.404   7.722  -1.283
  306    HA   LYS  40           HA       LYS  40  -7.284   7.624  -2.029
  307    HB2  LYS  40           2HB      LYS  40  -6.993   7.511   0.262
  308    HB3  LYS  40           3HB      LYS  40  -5.766   8.744   0.315
  309    HG2  LYS  40           2HG      LYS  40  -8.677   9.302  -0.491
  310    HG3  LYS  40           3HG      LYS  40  -8.138   9.282   1.182
  311    HD2  LYS  40           2HD      LYS  40  -7.429  11.300  -0.951
  312    HD3  LYS  40           3HD      LYS  40  -8.208  11.547   0.611
  313    HE2  LYS  40           2HE      LYS  40  -6.133  11.032   1.794
  314    HE3  LYS  40           3HE      LYS  40  -5.339  10.625   0.258
  315    HZ1  LYS  40           3HZ      LYS  40  -4.880  12.867   1.226
  316    HZ2  LYS  40           1HZ      LYS  40  -5.160  12.783  -0.358
  317    HZ3  LYS  40           2HZ      LYS  40  -6.353  13.348   0.670
  318    H    MET  41           H        MET  41  -7.853   8.845  -3.737
  319    HA   MET  41           HA       MET  41  -6.928  11.619  -3.954
  320    HB2  MET  41           2HB      MET  41  -5.908  11.397  -6.174
  321    HB3  MET  41           3HB      MET  41  -5.011  10.484  -4.964
  322    HG2  MET  41           2HG      MET  41  -6.109   8.390  -5.727
  323    HG3  MET  41           3HG      MET  41  -7.006   9.308  -6.942
  324    HE1  MET  41           3HE      MET  41  -5.438   6.761  -7.635
  325    HE2  MET  41           1HE      MET  41  -6.331   7.762  -8.813
  326    HE3  MET  41           2HE      MET  41  -4.659   7.247  -9.159
  327    H    VAL  42           H        VAL  42  -8.350  12.939  -5.202
  328    HA   VAL  42           HA       VAL  42 -10.769  12.031  -6.249
  329    HB   VAL  42           HB       VAL  42  -9.149  14.373  -7.314
  330   HG11  VAL  42          1HG1      VAL  42 -11.039  13.841  -8.783
  331   HG12  VAL  42          2HG1      VAL  42 -12.142  13.781  -7.389
  332   HG13  VAL  42          3HG1      VAL  42 -11.387  15.312  -7.881
  333   HG21  VAL  42          3HG2      VAL  42 -11.186  14.283  -5.048
  334   HG22  VAL  42          1HG2      VAL  42  -9.448  14.628  -4.891
  335   HG23  VAL  42          2HG2      VAL  42 -10.489  15.754  -5.751
  336    H    ASP  43           H        ASP  43 -11.365  10.905  -8.036
  337    HA   ASP  43           HA       ASP  43  -9.364   9.913  -9.916
  338    HB2  ASP  43           2HB      ASP  43 -11.260   8.542  -9.155
  339    HB3  ASP  43           3HB      ASP  43 -12.392   9.651  -9.926
  340    HA   PRO  44           HA       PRO  44  -9.760  13.472 -12.535
  341    HB2  PRO  44           2HB      PRO  44  -8.192  12.734 -14.672
  342    HB3  PRO  44           3HB      PRO  44  -7.529  13.082 -13.046
  343    HG2  PRO  44           2HG      PRO  44  -8.268  10.364 -14.200
  344    HG3  PRO  44           3HG      PRO  44  -6.723  10.847 -13.417
  345    HD2  PRO  44           2HD      PRO  44  -8.663   9.577 -12.045
  346    HD3  PRO  44           3HD      PRO  44  -7.716  10.894 -11.285
  347    H    GLU  45           H        GLU  45 -11.098  10.442 -13.540
  348    HA   GLU  45           HA       GLU  45 -12.569  11.743 -15.814
  349    HB2  GLU  45           2HB      GLU  45 -12.105   8.802 -15.187
  350    HB3  GLU  45           3HB      GLU  45 -13.126   9.427 -16.487
  351    HG2  GLU  45           2HG      GLU  45 -11.144  10.604 -17.458
  352    HG3  GLU  45           3HG      GLU  45 -10.120   9.871 -16.222
  353    H    LYS  46           H        LYS  46 -12.865  10.825 -12.584
  354    HA   LYS  46           HA       LYS  46 -15.827  11.198 -12.625
  355    HB2  LYS  46           2HB      LYS  46 -14.321   9.030 -11.114
  356    HB3  LYS  46           3HB      LYS  46 -16.000   9.434 -10.817
  357    HG2  LYS  46           2HG      LYS  46 -15.047   8.420 -13.525
  358    HG3  LYS  46           3HG      LYS  46 -15.503   7.382 -12.189
  359    HD2  LYS  46           2HD      LYS  46 -17.435   7.450 -13.427
  360    HD3  LYS  46           3HD      LYS  46 -17.761   8.597 -12.124
  361    HE2  LYS  46           2HE      LYS  46 -17.272  10.481 -13.666
  362    HE3  LYS  46           3HE      LYS  46 -16.824   9.341 -14.936
  363    HZ1  LYS  46           3HZ      LYS  46 -19.534   9.570 -13.734
  364    HZ2  LYS  46           1HZ      LYS  46 -19.104  10.126 -15.207
  365    HZ3  LYS  46           2HZ      LYS  46 -19.118   8.522 -14.917
  366    HA   PRO  47           HA       PRO  47 -13.376  13.731  -9.484
  367    HB2  PRO  47           2HB      PRO  47 -13.898  16.283 -10.361
  368    HB3  PRO  47           3HB      PRO  47 -12.542  15.279 -10.958
  369    HG2  PRO  47           2HG      PRO  47 -15.288  15.628 -12.218
  370    HG3  PRO  47           3HG      PRO  47 -13.679  15.773 -13.006
  371    HD2  PRO  47           2HD      PRO  47 -15.097  13.483 -13.167
  372    HD3  PRO  47           3HD      PRO  47 -13.322  13.452 -12.931
  373    H    GLN  48           H        GLN  48 -16.660  13.799 -10.685
  374    HA   GLN  48           HA       GLN  48 -17.948  15.345  -8.682
  375    HB2  GLN  48           2HB      GLN  48 -18.873  14.578 -10.873
  376    HB3  GLN  48           3HB      GLN  48 -18.983  12.930 -10.231
  377    HG2  GLN  48           2HG      GLN  48 -20.603  13.700  -8.523
  378    HG3  GLN  48           3HG      GLN  48 -20.417  15.368  -9.075
  379   HE21  GLN  48          2HE2      GLN  48 -22.943  14.761  -9.071
  380   HE22  GLN  48          1HE2      GLN  48 -23.532  14.267 -10.653
  381    H    LEU  49           H        LEU  49 -16.602  12.072  -8.489
  382    HA   LEU  49           HA       LEU  49 -17.984  11.224  -6.072
  383    HB2  LEU  49           2HB      LEU  49 -15.245  10.549  -7.243
  384    HB3  LEU  49           3HB      LEU  49 -15.985   9.692  -5.902
  385    HG   LEU  49           HG       LEU  49 -17.106   9.763  -8.735
  386   HD11  LEU  49          1HD1      LEU  49 -16.266   7.447  -8.807
  387   HD12  LEU  49          2HD1      LEU  49 -14.935   8.577  -8.465
  388   HD13  LEU  49          3HD1      LEU  49 -15.636   7.619  -7.147
  389   HD21  LEU  49          3HD2      LEU  49 -18.523   7.887  -7.872
  390   HD22  LEU  49          1HD2      LEU  49 -17.910   8.216  -6.231
  391   HD23  LEU  49          2HD2      LEU  49 -18.886   9.432  -7.086
  392    H    GLY  50           H        GLY  50 -15.244  13.361  -6.678
  393    HA2  GLY  50           2HA      GLY  50 -13.600  14.231  -5.290
  394    HA3  GLY  50           3HA      GLY  50 -14.454  13.624  -3.867
  395    H    MET  51           H        MET  51 -12.838  12.525  -2.943
  396    HA   MET  51           HA       MET  51 -10.789  11.152  -4.288
  397    HB2  MET  51           2HB      MET  51 -11.166  11.027  -1.306
  398    HB3  MET  51           3HB      MET  51  -9.685  11.099  -2.261
  399    HG2  MET  51           2HG      MET  51 -10.612  13.495  -2.953
  400    HG3  MET  51           3HG      MET  51 -11.622  13.304  -1.525
  401    HE1  MET  51           3HE      MET  51  -8.101  12.842  -2.838
  402    HE2  MET  51           1HE      MET  51  -8.312  14.601  -2.923
  403    HE3  MET  51           2HE      MET  51  -7.096  13.916  -1.825
  404    H    ILE  52           H        ILE  52 -10.418   9.072  -4.651
  405    HA   ILE  52           HA       ILE  52 -12.103   7.005  -3.344
  406    HB   ILE  52           HB       ILE  52 -11.670   5.603  -5.420
  407   HG12  ILE  52          2HG1      ILE  52 -11.433   6.764  -7.562
  408   HG13  ILE  52          3HG1      ILE  52 -11.072   8.283  -6.751
  409   HG21  ILE  52          1HG2      ILE  52 -13.420   8.060  -5.720
  410   HG22  ILE  52          2HG2      ILE  52 -13.588   6.506  -6.571
  411   HG23  ILE  52          3HG2      ILE  52 -13.824   6.576  -4.818
  412   HD11  ILE  52          3HD1      ILE  52  -8.943   7.393  -5.948
  413   HD12  ILE  52          1HD1      ILE  52  -9.389   5.758  -6.473
  414   HD13  ILE  52          2HD1      ILE  52  -9.075   7.047  -7.666
  415    H    ASP  53           H        ASP  53 -11.066   4.821  -3.377
  416    HA   ASP  53           HA       ASP  53  -8.262   5.051  -2.367
  417    HB2  ASP  53           2HB      ASP  53 -10.434   3.034  -1.686
  418    HB3  ASP  53           3HB      ASP  53  -8.790   3.049  -1.047
  419    H    ARG  54           H        ARG  54  -7.155   4.752  -4.208
  420    HA   ARG  54           HA       ARG  54  -7.636   2.585  -6.135
  421    HB2  ARG  54           2HB      ARG  54  -6.332   5.062  -6.196
  422    HB3  ARG  54           3HB      ARG  54  -4.974   3.975  -6.059
  423    HG2  ARG  54           2HG      ARG  54  -5.367   4.447  -8.362
  424    HG3  ARG  54           3HG      ARG  54  -5.748   2.745  -8.076
  425    HD2  ARG  54           2HD      ARG  54  -8.091   3.135  -8.292
  426    HD3  ARG  54           3HD      ARG  54  -7.925   4.817  -7.779
  427    HE   ARG  54           HE       ARG  54  -6.654   4.422 -10.336
  428   HH11  ARG  54          1HH2      ARG  54  -9.871   4.823  -8.924
  429   HH12  ARG  54          2HH2      ARG  54 -10.333   5.914 -10.235
  430   HH21  ARG  54          1HH1      ARG  54  -7.522   5.751 -12.013
  431   HH22  ARG  54          2HH1      ARG  54  -9.170   6.342 -11.793
  432    H    TRP  55           H        TRP  55  -7.164   0.460  -5.555
  433    HA   TRP  55           HA       TRP  55  -5.134  -0.019  -3.471
  434    HB2  TRP  55           2HB      TRP  55  -7.098  -1.892  -4.802
  435    HB3  TRP  55           3HB      TRP  55  -5.939  -2.359  -3.562
  436    HD1  TRP  55           HD1      TRP  55  -9.280  -0.702  -3.984
  437    HE1  TRP  55           HE1      TRP  55 -10.279  -0.067  -1.714
  438    HE3  TRP  55           HE3      TRP  55  -5.216  -1.677  -0.985
  439    HZ2  TRP  55           HZ2      TRP  55  -9.395   0.143   1.022
  440    HZ3  TRP  55           HZ3      TRP  55  -5.298  -1.133   1.422
  441    HH2  TRP  55           HH2      TRP  55  -7.377  -0.234   2.444
  442    H    TYR  56           H        TYR  56  -3.460  -1.469  -3.579
  443    HA   TYR  56           HA       TYR  56  -2.318  -2.347  -6.163
  444    HB2  TYR  56           2HB      TYR  56  -0.882  -0.704  -4.033
  445    HB3  TYR  56           3HB      TYR  56  -0.172  -1.325  -5.515
  446    HD1  TYR  56           HD1      TYR  56  -0.899  -0.408  -7.723
  447    HD2  TYR  56           HD2      TYR  56  -2.160   1.362  -4.024
  448    HE1  TYR  56           HE1      TYR  56  -1.595   1.646  -8.963
  449    HE2  TYR  56           HE2      TYR  56  -2.868   3.409  -5.252
  450    HH   TYR  56           HH       TYR  56  -2.513   3.738  -8.796
  451    H    HIS  57           H        HIS  57  -0.715  -3.927  -5.954
  452    HA   HIS  57           HA       HIS  57  -0.786  -5.775  -3.670
  453    HB2  HIS  57           2HB      HIS  57   0.938  -5.681  -6.143
  454    HB3  HIS  57           3HB      HIS  57   1.151  -6.892  -4.919
  455    HD2  HIS  57           HD2      HIS  57  -1.327  -8.319  -4.319
  456    HE1  HIS  57           HE1      HIS  57  -2.453  -8.290  -8.416
  457    HE2  HIS  57           HE2      HIS  57  -2.846  -9.408  -6.197
  458    HA   PRO  58           HA       PRO  58   2.817  -4.120  -1.483
  459    HB2  PRO  58           2HB      PRO  58   4.010  -6.367  -0.461
  460    HB3  PRO  58           3HB      PRO  58   2.487  -5.665   0.164
  461    HG2  PRO  58           2HG      PRO  58   2.819  -7.947  -1.806
  462    HG3  PRO  58           3HG      PRO  58   1.772  -7.882  -0.349
  463    HD2  PRO  58           2HD      PRO  58   0.783  -7.392  -2.815
  464    HD3  PRO  58           3HD      PRO  58   0.230  -6.436  -1.420
  465    H    GLY  59           H        GLY  59   3.311  -6.389  -4.116
  466    HA2  GLY  59           2HA      GLY  59   6.157  -5.668  -4.469
  467    HA3  GLY  59           3HA      GLY  59   5.150  -6.612  -5.570
  468    H    CYS  60           HN       CYS  60   3.040  -4.924  -6.126
  469    HA   CYS  60           HA       CYS  60   4.210  -3.348  -8.138
  470    HB2  CYS  60           2HB      CYS  60   1.330  -3.385  -7.167
  471    HB3  CYS  60           3HB      CYS  60   1.900  -2.862  -8.757
  472    H    PHE  61           H        PHE  61   2.736  -2.330  -5.015
  473    HA   PHE  61           HA       PHE  61   2.600   0.426  -5.708
  474    HB2  PHE  61           2HB      PHE  61   1.898   0.795  -3.628
  475    HB3  PHE  61           3HB      PHE  61   1.678  -0.939  -3.632
  476    HD1  PHE  61           HD1      PHE  61   3.577  -2.378  -2.655
  477    HD2  PHE  61           HD2      PHE  61   3.358   1.866  -2.111
  478    HE1  PHE  61           HE1      PHE  61   4.918  -2.592  -0.548
  479    HE2  PHE  61           HE2      PHE  61   4.596   1.660   0.045
  480    HZ   PHE  61           HZ       PHE  61   5.376  -0.570   0.826
  481    H    VAL  62           H        VAL  62   5.327  -1.492  -4.511
  482    HA   VAL  62           HA       VAL  62   7.269   0.631  -4.371
  483    HB   VAL  62           HB       VAL  62   7.820  -2.233  -5.216
  484   HG11  VAL  62          1HG1      VAL  62   9.569  -0.141  -3.862
  485   HG12  VAL  62          2HG1      VAL  62  10.034  -1.821  -4.196
  486   HG13  VAL  62          3HG1      VAL  62   9.737  -0.717  -5.535
  487   HG21  VAL  62          3HG2      VAL  62   7.750  -1.121  -2.381
  488   HG22  VAL  62          1HG2      VAL  62   6.592  -2.285  -3.065
  489   HG23  VAL  62          2HG2      VAL  62   8.284  -2.734  -2.885
  490    H    LYS  63           H        LYS  63   6.224  -1.391  -7.150
  491    HA   LYS  63           HA       LYS  63   8.131  -0.427  -9.029
  492    HB2  LYS  63           2HB      LYS  63   6.763  -2.458  -9.335
  493    HB3  LYS  63           3HB      LYS  63   5.302  -1.477  -9.446
  494    HG2  LYS  63           2HG      LYS  63   6.130  -0.427 -11.529
  495    HG3  LYS  63           3HG      LYS  63   7.604  -1.396 -11.419
  496    HD2  LYS  63           2HD      LYS  63   6.024  -2.377 -13.013
  497    HD3  LYS  63           3HD      LYS  63   6.305  -3.458 -11.656
  498    HE2  LYS  63           2HE      LYS  63   3.963  -3.486 -12.293
  499    HE3  LYS  63           3HE      LYS  63   4.132  -2.857 -10.658
  500    HZ1  LYS  63           3HZ      LYS  63   2.576  -1.610 -12.157
  501    HZ2  LYS  63           1HZ      LYS  63   3.683  -0.650 -11.458
  502    HZ3  LYS  63           2HZ      LYS  63   3.848  -1.095 -13.038
  503    H    ASN  64           H        ASN  64   5.078   1.006  -7.998
  504    HA   ASN  64           HA       ASN  64   5.589   3.382  -9.734
  505    HB2  ASN  64           2HB      ASN  64   2.957   3.612  -8.890
  506    HB3  ASN  64           3HB      ASN  64   3.561   3.224 -10.480
  507   HD21  ASN  64          1HD2      ASN  64   2.140   1.909  -7.552
  508   HD22  ASN  64          2HD2      ASN  64   1.660   0.387  -8.327
  509    H    ARG  65           H        ARG  65   6.640   2.658  -6.869
  510    HA   ARG  65           HA       ARG  65   5.771   4.140  -4.874
  511    HB2  ARG  65           2HB      ARG  65   7.856   2.860  -4.766
  512    HB3  ARG  65           3HB      ARG  65   8.630   3.882  -5.976
  513    HG2  ARG  65           2HG      ARG  65   8.598   5.778  -4.318
  514    HG3  ARG  65           3HG      ARG  65   7.954   4.624  -3.126
  515    HD2  ARG  65           2HD      ARG  65  10.018   3.295  -3.337
  516    HD3  ARG  65           3HD      ARG  65  10.658   4.486  -4.490
  517    HE   ARG  65           HE       ARG  65  10.077   6.121  -2.435
  518   HH11  ARG  65          1HH2      ARG  65  11.938   3.142  -2.323
  519   HH12  ARG  65          2HH2      ARG  65  12.538   3.532  -0.714
  520   HH21  ARG  65          1HH1      ARG  65  10.935   6.479  -0.352
  521   HH22  ARG  65          2HH1      ARG  65  12.020   5.260   0.277
  522    H    GLU  66           H        GLU  66   7.854   5.604  -7.369
  523    HA   GLU  66           HA       GLU  66   7.593   8.207  -6.244
  524    HB2  GLU  66           2HB      GLU  66   8.861   9.001  -8.197
  525    HB3  GLU  66           3HB      GLU  66   9.607   7.618  -7.399
  526    HG2  GLU  66           2HG      GLU  66   8.751   6.103  -9.152
  527    HG3  GLU  66           3HG      GLU  66   7.935   7.454  -9.946
  528    H    GLU  67           H        GLU  67   5.678   6.527  -8.595
  529    HA   GLU  67           HA       GLU  67   4.270   8.855  -9.648
  530    HB2  GLU  67           2HB      GLU  67   4.651   6.827 -10.983
  531    HB3  GLU  67           3HB      GLU  67   3.645   5.894  -9.869
  532    HG2  GLU  67           2HG      GLU  67   1.682   7.223 -10.438
  533    HG3  GLU  67           3HG      GLU  67   2.662   8.323 -11.415
  534    H    LEU  68           H        LEU  68   3.715   6.371  -7.127
  535    HA   LEU  68           HA       LEU  68   1.141   7.382  -6.272
  536    HB2  LEU  68           2HB      LEU  68   3.256   5.798  -4.753
  537    HB3  LEU  68           3HB      LEU  68   1.603   6.066  -4.211
  538    HG   LEU  68           HG       LEU  68   2.447   4.456  -6.653
  539   HD11  LEU  68          1HD1      LEU  68   2.877   3.340  -4.514
  540   HD12  LEU  68          2HD1      LEU  68   1.204   3.651  -3.997
  541   HD13  LEU  68          3HD1      LEU  68   1.523   2.566  -5.362
  542   HD21  LEU  68          3HD2      LEU  68   0.287   5.528  -7.117
  543   HD22  LEU  68          1HD2      LEU  68   0.115   3.799  -6.852
  544   HD23  LEU  68          2HD2      LEU  68  -0.345   4.930  -5.561
  545    H    GLY  69           H        GLY  69   4.370   8.537  -5.747
  546    HA2  GLY  69           2HA      GLY  69   4.644  10.858  -5.122
  547    HA3  GLY  69           3HA      GLY  69   3.285  10.732  -4.010
  548    H    PHE  70           H        PHE  70   5.313   7.984  -3.735
  549    HA   PHE  70           HA       PHE  70   6.473   8.805  -1.197
  550    HB2  PHE  70           2HB      PHE  70   6.877   6.487  -3.060
  551    HB3  PHE  70           3HB      PHE  70   7.916   6.700  -1.668
  552    HD1  PHE  70           HD2      PHE  70   7.047   6.438   0.619
  553    HD2  PHE  70           HD1      PHE  70   4.673   5.513  -2.849
  554    HE1  PHE  70           HE2      PHE  70   5.638   4.965   2.007
  555    HE2  PHE  70           HE1      PHE  70   3.206   4.082  -1.445
  556    HZ   PHE  70           HZ       PHE  70   3.715   3.773   0.965
  557    H    ARG  71           H        ARG  71   8.629   9.162  -0.764
  558    HA   ARG  71           HA       ARG  71  10.578   9.859  -2.884
  559    HB2  ARG  71           2HB      ARG  71   9.671  11.724  -0.626
  560    HB3  ARG  71           3HB      ARG  71  10.994  12.065  -1.716
  561    HG2  ARG  71           2HG      ARG  71   8.080  11.835  -2.554
  562    HG3  ARG  71           3HG      ARG  71   8.992  13.319  -2.319
  563    HD2  ARG  71           2HD      ARG  71  10.525  12.729  -4.137
  564    HD3  ARG  71           3HD      ARG  71   9.711  11.194  -4.389
  565    HE   ARG  71           HE       ARG  71   8.686  13.903  -5.053
  566   HH11  ARG  71          1HH2      ARG  71   7.967  10.461  -5.148
  567   HH12  ARG  71          2HH2      ARG  71   6.879  10.657  -6.517
  568   HH21  ARG  71          1HH1      ARG  71   7.197  14.057  -6.692
  569   HH22  ARG  71          2HH1      ARG  71   6.406  12.624  -7.283
  570    HA   PRO  72           HA       PRO  72  13.465   7.923  -0.389
  571    HB2  PRO  72           2HB      PRO  72  15.134  10.361   0.173
  572    HB3  PRO  72           3HB      PRO  72  15.623   8.772  -0.495
  573    HG2  PRO  72           2HG      PRO  72  15.309  10.903  -2.151
  574    HG3  PRO  72           3HG      PRO  72  14.652   9.301  -2.633
  575    HD2  PRO  72           2HD      PRO  72  13.167  11.623  -1.346
  576    HD3  PRO  72           3HD      PRO  72  12.704  10.657  -2.777
  577    H    GLU  73           H        GLU  73  12.358  10.825   1.310
  578    HA   GLU  73           HA       GLU  73  13.094   9.754   3.960
  579    HB2  GLU  73           2HB      GLU  73  12.362  11.861   4.835
  580    HB3  GLU  73           3HB      GLU  73  13.474  12.120   3.492
  581    HG2  GLU  73           2HG      GLU  73  11.488  12.547   1.990
  582    HG3  GLU  73           3HG      GLU  73  10.442  12.388   3.402
  583    H    TYR  74           H        TYR  74  10.527   9.384   1.788
  584    HA   TYR  74           HA       TYR  74   8.622   8.655   3.940
  585    HB2  TYR  74           2HB      TYR  74   8.100   8.653   0.976
  586    HB3  TYR  74           3HB      TYR  74   6.927   8.534   2.274
  587    HD1  TYR  74           HD2      TYR  74   8.136  10.948   3.979
  588    HD2  TYR  74           HD1      TYR  74   7.066  10.455  -0.169
  589    HE1  TYR  74           HE2      TYR  74   7.874  13.405   3.721
  590    HE2  TYR  74           HE1      TYR  74   6.899  12.847  -0.453
  591    HH   TYR  74           HH       TYR  74   7.010  14.927   0.592
  592    H    SER  75           H        SER  75   9.910   6.979   4.680
  593    HA   SER  75           HA       SER  75   9.983   4.430   3.231
  594    HB2  SER  75           2HB      SER  75  11.343   5.086   5.313
  595    HB3  SER  75           3HB      SER  75   9.849   4.852   6.236
  596    HG   SER  75           HG       SER  75  11.178   2.965   6.135
  597    H    ALA  76           H        ALA  76   8.647   2.606   4.195
  598    HA   ALA  76           HA       ALA  76   5.907   2.919   3.587
  599    HB1  ALA  76           1HB      ALA  76   7.167   0.790   3.525
  600    HB2  ALA  76           2HB      ALA  76   7.205   0.767   5.303
  601    HB3  ALA  76           3HB      ALA  76   5.653   0.663   4.442
  602    H    SER  77           H        SER  77   7.416   3.739   6.590
  603    HA   SER  77           HA       SER  77   5.211   3.475   8.378
  604    HB2  SER  77           2HB      SER  77   6.537   5.195   9.691
  605    HB3  SER  77           3HB      SER  77   7.444   3.743   9.226
  606    HG   SER  77           HG       SER  77   8.576   5.740   8.819
  607    H    GLN  78           H        GLN  78   5.645   5.634   5.712
  608    HA   GLN  78           HA       GLN  78   3.924   7.690   6.775
  609    HB2  GLN  78           2HB      GLN  78   5.151   7.353   4.018
  610    HB3  GLN  78           3HB      GLN  78   4.276   8.773   4.598
  611    HG2  GLN  78           2HG      GLN  78   6.925   7.753   5.696
  612    HG3  GLN  78           3HG      GLN  78   6.640   9.196   4.719
  613   HE21  GLN  78          2HE2      GLN  78   5.287  10.973   5.689
  614   HE22  GLN  78          1HE2      GLN  78   5.096  11.012   7.440
  615    H    LEU  79           H        LEU  79   3.063   4.712   5.907
  616    HA   LEU  79           HA       LEU  79   0.576   5.404   4.425
  617    HB2  LEU  79           2HB      LEU  79   1.851   2.783   5.301
  618    HB3  LEU  79           3HB      LEU  79   0.290   2.883   4.506
  619    HG   LEU  79           HG       LEU  79   2.738   4.034   3.131
  620   HD11  LEU  79          1HD1      LEU  79   1.904   1.114   3.095
  621   HD12  LEU  79          2HD1      LEU  79   3.054   1.863   1.982
  622   HD13  LEU  79          3HD1      LEU  79   3.425   1.771   3.709
  623   HD21  LEU  79          3HD2      LEU  79   0.325   2.610   1.959
  624   HD22  LEU  79          1HD2      LEU  79   0.322   4.336   2.334
  625   HD23  LEU  79          2HD2      LEU  79   1.464   3.713   1.152
  626    H    LYS  80           H        LYS  80  -1.406   5.464   5.320
  627    HA   LYS  80           HA       LYS  80  -1.847   5.520   8.136
  628    HB2  LYS  80           2HB      LYS  80  -3.921   4.875   5.990
  629    HB3  LYS  80           3HB      LYS  80  -4.248   5.358   7.652
  630    HG2  LYS  80           2HG      LYS  80  -3.014   7.507   7.181
  631    HG3  LYS  80           3HG      LYS  80  -2.993   7.039   5.467
  632    HD2  LYS  80           2HD      LYS  80  -5.462   7.489   7.211
  633    HD3  LYS  80           3HD      LYS  80  -4.818   8.626   6.020
  634    HE2  LYS  80           2HE      LYS  80  -5.246   6.995   4.204
  635    HE3  LYS  80           3HE      LYS  80  -5.877   5.836   5.384
  636    HZ1  LYS  80           3HZ      LYS  80  -7.641   7.422   5.919
  637    HZ2  LYS  80           1HZ      LYS  80  -7.068   8.504   4.837
  638    HZ3  LYS  80           2HZ      LYS  80  -7.676   7.076   4.326
  639    H    GLY  81           H        GLY  81  -2.492   3.967   9.594
  640    HA2  GLY  81           2HA      GLY  81  -3.054   1.904  10.492
  641    HA3  GLY  81           3HA      GLY  81  -3.563   1.393   8.883
  642    H    PHE  82           H        PHE  82  -0.312   2.274   8.578
  643    HA   PHE  82           HA       PHE  82   0.727  -0.322   8.197
  644    HB2  PHE  82           2HB      PHE  82   1.848   1.521   7.237
  645    HB3  PHE  82           3HB      PHE  82   1.881   2.420   8.743
  646    HD1  PHE  82           HD1      PHE  82   3.505   2.019  10.482
  647    HD2  PHE  82           HD2      PHE  82   3.664  -0.102   6.733
  648    HE1  PHE  82           HE1      PHE  82   5.862   1.376  10.947
  649    HE2  PHE  82           HE2      PHE  82   6.026  -0.725   7.193
  650    HZ   PHE  82           HZ       PHE  82   7.120   0.009   9.292
  651    H    SER  83           H        SER  83   0.865   1.800  11.087
  652    HA   SER  83           HA       SER  83   2.404   0.189  12.772
  653    HB2  SER  83           2HB      SER  83   0.118   2.041  13.540
  654    HB3  SER  83           3HB      SER  83   1.467   1.549  14.585
  655    HG   SER  83           HG       SER  83   2.884   2.606  13.105
  656    H    LEU  84           H        LEU  84  -0.932  -0.326  11.870
  657    HA   LEU  84           HA       LEU  84  -1.566  -2.004  14.223
  658    HB2  LEU  84           2HB      LEU  84  -3.163  -0.878  11.898
  659    HB3  LEU  84           3HB      LEU  84  -3.794  -2.163  12.909
  660    HG   LEU  84           HG       LEU  84  -3.647  -0.775  14.914
  661   HD11  LEU  84          1HD1      LEU  84  -3.342   1.704  14.674
  662   HD12  LEU  84          2HD1      LEU  84  -1.855   0.790  14.453
  663   HD13  LEU  84          3HD1      LEU  84  -2.718   1.436  13.031
  664   HD21  LEU  84          3HD2      LEU  84  -5.487   0.745  14.327
  665   HD22  LEU  84          1HD2      LEU  84  -5.106   0.569  12.599
  666   HD23  LEU  84          2HD2      LEU  84  -5.697  -0.823  13.535
  667    H    LEU  85           H        LEU  85  -0.045  -2.542  11.254
  668    HA   LEU  85           HA       LEU  85  -1.033  -5.264  10.767
  669    HB2  LEU  85           2HB      LEU  85   1.438  -3.792   9.805
  670    HB3  LEU  85           3HB      LEU  85   0.922  -5.363   9.216
  671    HG   LEU  85           HG       LEU  85  -0.769  -2.840   8.925
  672   HD11  LEU  85          1HD1      LEU  85   1.076  -4.189   6.908
  673   HD12  LEU  85          2HD1      LEU  85   0.022  -2.789   6.601
  674   HD13  LEU  85          3HD1      LEU  85   1.391  -2.638   7.714
  675   HD21  LEU  85          3HD2      LEU  85  -2.101  -4.856   8.742
  676   HD22  LEU  85          1HD2      LEU  85  -1.890  -4.116   7.152
  677   HD23  LEU  85          2HD2      LEU  85  -0.943  -5.549   7.577
  678    H    ALA  86           H        ALA  86   0.684  -7.090  10.780
  679    HA   ALA  86           HA       ALA  86   1.762  -7.462  13.442
  680    HB1  ALA  86           1HB      ALA  86   2.266  -9.029  10.877
  681    HB2  ALA  86           2HB      ALA  86   2.600  -9.574  12.534
  682    HB3  ALA  86           3HB      ALA  86   0.923  -9.319  12.007
  683    H    THR  87           H        THR  87   3.958  -7.521  14.098
  684    HA   THR  87           HA       THR  87   5.668  -5.513  13.195
  685    HB   THR  87           HB       THR  87   6.558  -8.077  14.542
  686    HG1  THR  87           1HG      THR  87   6.027  -7.004  16.458
  687   HG21  THR  87          1HG2      THR  87   8.189  -6.568  15.680
  688   HG22  THR  87          2HG2      THR  87   8.430  -6.575  13.928
  689   HG23  THR  87          3HG2      THR  87   7.601  -5.205  14.697
  690    H    GLU  88           H        GLU  88   5.678  -8.960  12.195
  691    HA   GLU  88           HA       GLU  88   8.051  -8.799  10.597
  692    HB2  GLU  88           2HB      GLU  88   7.355 -10.905   9.648
  693    HB3  GLU  88           3HB      GLU  88   7.125 -10.904  11.395
  694    HG2  GLU  88           2HG      GLU  88   4.671 -10.445  11.027
  695    HG3  GLU  88           3HG      GLU  88   4.942 -10.582   9.288
  696    H    ASP  89           H        ASP  89   4.709  -7.868   9.848
  697    HA   ASP  89           HA       ASP  89   5.325  -7.448   6.988
  698    HB2  ASP  89           2HB      ASP  89   2.857  -6.914   8.667
  699    HB3  ASP  89           3HB      ASP  89   3.010  -6.454   6.973
  700    H    LYS  90           H        LYS  90   5.028  -5.490   9.945
  701    HA   LYS  90           HA       LYS  90   5.443  -2.909   8.712
  702    HB2  LYS  90           2HB      LYS  90   5.930  -4.005  11.504
  703    HB3  LYS  90           3HB      LYS  90   6.243  -2.313  11.083
  704    HG2  LYS  90           2HG      LYS  90   4.000  -1.839  10.621
  705    HG3  LYS  90           3HG      LYS  90   3.568  -3.530  10.393
  706    HD2  LYS  90           2HD      LYS  90   2.565  -2.754  12.405
  707    HD3  LYS  90           3HD      LYS  90   3.782  -3.973  12.791
  708    HE2  LYS  90           2HE      LYS  90   5.359  -2.193  13.476
  709    HE3  LYS  90           3HE      LYS  90   4.175  -0.961  13.010
  710    HZ1  LYS  90           3HZ      LYS  90   3.771  -2.994  15.146
  711    HZ2  LYS  90           1HZ      LYS  90   4.066  -1.410  15.402
  712    HZ3  LYS  90           2HZ      LYS  90   2.658  -1.881  14.703
  713    H    GLU  91           H        GLU  91   7.747  -5.393   9.794
  714    HA   GLU  91           HA       GLU  91  10.086  -3.864   8.907
  715    HB2  GLU  91           2HB      GLU  91   9.674  -6.821   9.473
  716    HB3  GLU  91           3HB      GLU  91  11.221  -6.107   9.017
  717    HG2  GLU  91           2HG      GLU  91   9.624  -5.349  11.505
  718    HG3  GLU  91           3HG      GLU  91  10.983  -6.460  11.465
  719    H    ALA  92           H        ALA  92   8.206  -6.562   7.368
  720    HA   ALA  92           HA       ALA  92   9.795  -6.612   5.038
  721    HB1  ALA  92           1HB      ALA  92   8.301  -8.425   5.735
  722    HB2  ALA  92           2HB      ALA  92   6.883  -7.409   5.362
  723    HB3  ALA  92           3HB      ALA  92   7.981  -7.926   4.065
  724    H    LEU  93           H        LEU  93   6.977  -4.511   5.715
  725    HA   LEU  93           HA       LEU  93   6.758  -3.502   3.018
  726    HB2  LEU  93           2HB      LEU  93   5.857  -2.507   5.737
  727    HB3  LEU  93           3HB      LEU  93   5.624  -1.548   4.281
  728    HG   LEU  93           HG       LEU  93   4.468  -4.337   4.645
  729   HD11  LEU  93          1HD1      LEU  93   2.343  -3.106   4.943
  730   HD12  LEU  93          2HD1      LEU  93   3.512  -2.667   6.193
  731   HD13  LEU  93          3HD1      LEU  93   3.206  -1.563   4.827
  732   HD21  LEU  93          3HD2      LEU  93   4.780  -3.811   2.270
  733   HD22  LEU  93          1HD2      LEU  93   3.075  -3.655   2.677
  734   HD23  LEU  93          2HD2      LEU  93   4.071  -2.197   2.503
  735    H    LYS  94           H        LYS  94   8.725  -2.358   5.830
  736    HA   LYS  94           HA       LYS  94   9.861  -0.139   4.340
  737    HB2  LYS  94           2HB      LYS  94  10.851  -1.618   6.814
  738    HB3  LYS  94           3HB      LYS  94  11.578  -0.156   6.127
  739    HG2  LYS  94           2HG      LYS  94   9.333   1.001   6.411
  740    HG3  LYS  94           3HG      LYS  94   8.786  -0.399   7.325
  741    HD2  LYS  94           2HD      LYS  94  11.097   1.469   7.995
  742    HD3  LYS  94           3HD      LYS  94   9.552   1.393   8.831
  743    HE2  LYS  94           2HE      LYS  94  11.592  -0.882   8.731
  744    HE3  LYS  94           3HE      LYS  94  11.504   0.308  10.026
  745    HZ1  LYS  94           3HZ      LYS  94   9.246  -1.492   9.318
  746    HZ2  LYS  94           1HZ      LYS  94  10.324  -1.784  10.521
  747    HZ3  LYS  94           2HZ      LYS  94   9.336  -0.481  10.616
  748    H    LYS  95           H        LYS  95  10.844  -3.568   4.852
  749    HA   LYS  95           HA       LYS  95  13.297  -3.381   3.418
  750    HB2  LYS  95           2HB      LYS  95  11.401  -5.722   3.805
  751    HB3  LYS  95           3HB      LYS  95  12.960  -5.874   2.997
  752    HG2  LYS  95           2HG      LYS  95  14.159  -5.109   4.973
  753    HG3  LYS  95           3HG      LYS  95  12.648  -4.822   5.841
  754    HD2  LYS  95           2HD      LYS  95  12.095  -7.243   5.693
  755    HD3  LYS  95           3HD      LYS  95  13.621  -7.528   4.826
  756    HE2  LYS  95           2HE      LYS  95  14.879  -6.627   6.785
  757    HE3  LYS  95           3HE      LYS  95  13.355  -6.388   7.648
  758    HZ1  LYS  95           3HZ      LYS  95  14.406  -8.487   8.273
  759    HZ2  LYS  95           1HZ      LYS  95  12.992  -8.806   7.522
  760    HZ3  LYS  95           2HZ      LYS  95  14.408  -9.015   6.732
  761    H    GLN  96           H        GLN  96  10.079  -3.441   2.147
  762    HA   GLN  96           HA       GLN  96  10.960  -3.837  -0.662
  763    HB2  GLN  96           2HB      GLN  96   8.267  -3.762   0.744
  764    HB3  GLN  96           3HB      GLN  96   8.422  -3.801  -1.008
  765    HG2  GLN  96           2HG      GLN  96   9.578  -5.923  -0.978
  766    HG3  GLN  96           3HG      GLN  96   9.685  -5.910   0.783
  767   HE21  GLN  96          2HE2      GLN  96   7.592  -5.903   1.996
  768   HE22  GLN  96          1HE2      GLN  96   6.250  -6.824   1.298
  769    H    LEU  97           H        LEU  97   9.459  -1.356   1.427
  770    HA   LEU  97           HA       LEU  97  10.054   0.748  -0.602
  771    HB2  LEU  97           2HB      LEU  97   7.594  -0.032  -0.130
  772    HB3  LEU  97           3HB      LEU  97   7.757   0.810   1.377
  773    HG   LEU  97           HG       LEU  97   6.677   2.337   0.036
  774   HD11  LEU  97          1HD1      LEU  97   9.570   3.102  -0.395
  775   HD12  LEU  97          2HD1      LEU  97   8.174   4.161  -0.644
  776   HD13  LEU  97          3HD1      LEU  97   8.530   3.559   0.974
  777   HD21  LEU  97          3HD2      LEU  97   7.085   2.757  -2.298
  778   HD22  LEU  97          1HD2      LEU  97   8.521   1.690  -2.287
  779   HD23  LEU  97          2HD2      LEU  97   6.883   1.036  -2.041
  780    HA   PRO  98           HA       PRO  98  12.105   1.572   3.479
  781    HB2  PRO  98           2HB      PRO  98  14.778   1.541   2.792
  782    HB3  PRO  98           3HB      PRO  98  13.841   0.080   3.172
  783    HG2  PRO  98           2HG      PRO  98  14.627   1.166   0.476
  784    HG3  PRO  98           3HG      PRO  98  14.477  -0.542   1.017
  785    HD2  PRO  98           2HD      PRO  98  12.566   0.832  -0.487
  786    HD3  PRO  98           3HD      PRO  98  12.290  -0.620   0.514
  787    H    GLY  99           H        GLY  99  13.232   3.492   4.299
  788    HA2  GLY  99           2HA      GLY  99  13.214   5.853   2.539
  789    HA3  GLY  99           3HA      GLY  99  13.417   5.834   4.283
  790    H    VAL 100           H        VAL 100  15.019   7.349   3.871
  791    HA   VAL 100           HA       VAL 100  17.244   7.361   2.334
  792    HB   VAL 100           HB       VAL 100  17.028   8.418   5.191
  793   HG11  VAL 100          1HG1      VAL 100  18.939   9.256   2.971
  794   HG12  VAL 100          2HG1      VAL 100  18.662  10.165   4.470
  795   HG13  VAL 100          3HG1      VAL 100  19.364   8.562   4.571
  796   HG21  VAL 100          3HG2      VAL 100  15.248   9.315   3.813
  797   HG22  VAL 100          1HG2      VAL 100  16.440  10.576   4.068
  798   HG23  VAL 100          2HG2      VAL 100  16.390   9.721   2.510
  799    H    LYS 101           H        LYS 101  19.150   6.720   2.124
  800    HA   LYS 101           HA       LYS 101  20.504   5.062   4.194
  801    HB2  LYS 101           2HB      LYS 101  19.416   3.921   2.035
  802    HB3  LYS 101           3HB      LYS 101  20.915   4.460   1.267
  803    HG2  LYS 101           2HG      LYS 101  22.166   3.302   3.166
  804    HG3  LYS 101           3HG      LYS 101  20.590   2.744   3.759
  805    HD2  LYS 101           2HD      LYS 101  20.207   1.498   1.659
  806    HD3  LYS 101           3HD      LYS 101  21.728   2.121   0.988
  807    HE2  LYS 101           2HE      LYS 101  22.976   1.000   2.843
  808    HE3  LYS 101           3HE      LYS 101  21.458   0.326   3.444
  809    HZ1  LYS 101           3HZ      LYS 101  21.238  -0.900   1.369
  810    HZ2  LYS 101           1HZ      LYS 101  22.594  -0.225   0.753
  811    HZ3  LYS 101           2HZ      LYS 101  22.701  -1.243   2.017
  812    H    SER 102           H        SER 102  20.758   7.968   3.449
  813    HA   SER 102           HA       SER 102  23.378   8.344   2.290
  814    HB2  SER 102           2HB      SER 102  21.736  10.215   4.036
  815    HB3  SER 102           3HB      SER 102  23.134  10.660   3.037
  816    HG   SER 102           HG       SER 102  21.173  11.077   1.943
  817    H    GLU 103           H        GLU 103  22.333   7.553   5.528
  818    HA   GLU 103           HA       GLU 103  24.918   8.246   6.783
  819    HB2  GLU 103           2HB      GLU 103  22.441   6.847   7.861
  820    HB3  GLU 103           3HB      GLU 103  23.904   7.200   8.792
  821    HG2  GLU 103           2HG      GLU 103  23.598   9.635   8.324
  822    HG3  GLU 103           3HG      GLU 103  22.085   9.274   7.492
  823    H    GLY 104           H        GLY 104  26.559   6.849   7.161
  824    HA2  GLY 104           2HA      GLY 104  26.667   4.396   5.667
  825    HA3  GLY 104           3HA      GLY 104  27.950   5.078   6.671
  826    H    LYS 105           H        LYS 105  24.765   4.263   7.979
  827    HA   LYS 105           HA       LYS 105  25.932   2.424   9.973
  828    HB2  LYS 105           2HB      LYS 105  23.044   3.275   9.470
  829    HB3  LYS 105           3HB      LYS 105  23.620   2.364  10.862
  830    HG2  LYS 105           2HG      LYS 105  24.371   5.240  10.178
  831    HG3  LYS 105           3HG      LYS 105  23.230   4.712  11.413
  832    HD2  LYS 105           2HD      LYS 105  25.093   3.527  12.601
  833    HD3  LYS 105           3HD      LYS 105  26.234   4.179  11.401
  834    HE2  LYS 105           2HE      LYS 105  25.562   6.487  12.012
  835    HE3  LYS 105           3HE      LYS 105  24.422   5.847  13.201
  836    HZ1  LYS 105           3HZ      LYS 105  26.520   6.481  14.244
  837    HZ2  LYS 105           1HZ      LYS 105  26.314   4.869  14.391
  838    HZ3  LYS 105           2HZ      LYS 105  27.369   5.464  13.293
  839    H    ARG 106           H        ARG 106  24.392   2.160   6.907
  840    HA   ARG 106           HA       ARG 106  24.714  -0.759   7.055
  841    HB2  ARG 106           2HB      ARG 106  22.210   0.140   7.371
  842    HB3  ARG 106           3HB      ARG 106  22.273   0.300   5.627
  843    HG2  ARG 106           2HG      ARG 106  21.435  -1.843   5.807
  844    HG3  ARG 106           3HG      ARG 106  23.152  -2.234   5.749
  845    HD2  ARG 106           2HD      ARG 106  21.363  -2.055   8.208
  846    HD3  ARG 106           3HD      ARG 106  22.038  -3.521   7.513
  847    HE   ARG 106           HE       ARG 106  23.466  -1.441   9.099
  848   HH11  ARG 106          1HH2      ARG 106  23.883  -4.547   7.432
  849   HH12  ARG 106          2HH2      ARG 106  25.514  -4.676   8.106
  850   HH21  ARG 106          1HH1      ARG 106  25.506  -1.772   9.782
  851   HH22  ARG 106          2HH1      ARG 106  26.315  -3.296   9.360
  852    H    LYS 107           H        LYS 107  26.514   0.983   5.999
  853    HA   LYS 107           HA       LYS 107  26.678  -0.045   3.205
  854    HB2  LYS 107           2HB      LYS 107  27.158   2.828   4.084
  855    HB3  LYS 107           3HB      LYS 107  27.907   2.148   2.636
  856    HG2  LYS 107           2HG      LYS 107  25.725   1.591   1.685
  857    HG3  LYS 107           3HG      LYS 107  24.899   2.220   3.124
  858    HD2  LYS 107           2HD      LYS 107  25.619   4.464   2.687
  859    HD3  LYS 107           3HD      LYS 107  26.734   3.938   1.405
  860    HE2  LYS 107           2HE      LYS 107  24.907   3.219  -0.011
  861    HE3  LYS 107           3HE      LYS 107  23.726   3.486   1.283
  862    HZ1  LYS 107           3HZ      LYS 107  23.808   5.321  -0.355
  863    HZ2  LYS 107           1HZ      LYS 107  24.105   5.809   1.176
  864    HZ3  LYS 107           2HZ      LYS 107  25.342   5.673   0.093
  865    H    GLY 108           H        GLY 108  28.805  -0.351   2.436
  866    HA2  GLY 108           2HA      GLY 108  31.005  -1.075   2.600
  867    HA3  GLY 108           3HA      GLY 108  31.121  -0.336   4.203
  868    H    ASP 109           H        ASP 109  29.408  -1.575   5.767
  869    HA   ASP 109           HA       ASP 109  30.412  -4.171   6.342
  870    HB2  ASP 109           2HB      ASP 109  29.410  -2.548   7.935
  871    HB3  ASP 109           3HB      ASP 109  27.838  -2.777   7.173
  872    H    GLU 110           H        GLU 110  27.953  -3.326   4.044
  873    HA   GLU 110           HA       GLU 110  26.876  -6.051   3.993
  874    HB2  GLU 110           2HB      GLU 110  26.360  -3.757   2.056
  875    HB3  GLU 110           3HB      GLU 110  25.459  -5.273   2.169
  876    HG2  GLU 110           2HG      GLU 110  24.941  -4.603   4.606
  877    HG3  GLU 110           3HG      GLU 110  25.516  -2.991   4.166
  878    H    VAL 111           H        VAL 111  29.652  -4.612   2.667
  879    HA   VAL 111           HA       VAL 111  29.891  -6.727   0.568
  880    HB   VAL 111           HB       VAL 111  31.031  -5.121  -0.903
  881   HG11  VAL 111          1HG1      VAL 111  29.074  -3.947  -1.700
  882   HG12  VAL 111          2HG1      VAL 111  28.615  -5.577  -1.176
  883   HG13  VAL 111          3HG1      VAL 111  28.241  -4.173  -0.150
  884   HG21  VAL 111          3HG2      VAL 111  30.083  -2.942   1.005
  885   HG22  VAL 111          1HG2      VAL 111  31.772  -3.463   0.814
  886   HG23  VAL 111          2HG2      VAL 111  30.914  -2.723  -0.546
  887    H    ASP 112           H        ASP 112  31.215  -5.718   3.363
  888    HA   ASP 112           HA       ASP 112  34.043  -5.942   2.878
  889    HB2  ASP 112           2HB      ASP 112  33.095  -4.750   4.794
  890    HB3  ASP 112           3HB      ASP 112  32.419  -6.246   5.427
  Start of MODEL   27
    1    H1   GLY   1           H1       GLY   1  12.089  11.431   9.569
    2    H2   GLY   1           H2       GLY   1  10.913  11.034  10.662
    3    H3   GLY   1           H3       GLY   1  11.179  12.613  10.250
    4    HA2  GLY   1           2HA      GLY   1  10.621  11.991   7.915
    5    HA3  GLY   1           3HA      GLY   1   9.980  10.492   8.616
    6    H    SER   2           H        SER   2   8.502  12.381   7.161
    7    HA   SER   2           HA       SER   2   7.439  14.561   8.470
    8    HB2  SER   2           2HB      SER   2   6.070  12.858   6.356
    9    HB3  SER   2           3HB      SER   2   5.688  14.546   6.736
   10    HG   SER   2           HG       SER   2   7.805  15.117   6.092
   11    H    LYS   3           H        LYS   3   5.437  15.139   9.296
   12    HA   LYS   3           HA       LYS   3   3.828  15.061  10.909
   13    HB2  LYS   3           2HB      LYS   3   2.948  12.554   9.440
   14    HB3  LYS   3           3HB      LYS   3   1.947  13.553  10.486
   15    HG2  LYS   3           2HG      LYS   3   3.129  14.381   7.803
   16    HG3  LYS   3           3HG      LYS   3   1.453  13.959   8.147
   17    HD2  LYS   3           2HD      LYS   3   1.281  15.909   9.696
   18    HD3  LYS   3           3HD      LYS   3   2.936  16.383   9.246
   19    HE2  LYS   3           2HE      LYS   3   2.245  16.543   6.868
   20    HE3  LYS   3           3HE      LYS   3   0.599  16.070   7.310
   21    HZ1  LYS   3           3HZ      LYS   3   0.804  18.482   7.122
   22    HZ2  LYS   3           1HZ      LYS   3   0.453  18.093   8.667
   23    HZ3  LYS   3           2HZ      LYS   3   1.974  18.531   8.257
   24    H    ALA   4           H        ALA   4   6.213  14.093  11.853
   25    HA   ALA   4           HA       ALA   4   7.218  12.887  13.490
   26    HB1  ALA   4           1HB      ALA   4   6.055  12.907  15.634
   27    HB2  ALA   4           2HB      ALA   4   5.769  14.422  14.759
   28    HB3  ALA   4           3HB      ALA   4   4.499  13.179  14.821
   29    H    GLU   5           H        GLU   5   6.621  11.245  11.482
   30    HA   GLU   5           HA       GLU   5   6.448   9.133  10.814
   31    HB2  GLU   5           2HB      GLU   5   6.840   8.168  13.624
   32    HB3  GLU   5           3HB      GLU   5   7.260   7.349  12.126
   33    HG2  GLU   5           2HG      GLU   5   8.618   9.820  13.284
   34    HG3  GLU   5           3HG      GLU   5   9.210   8.173  13.340
   35    H    LYS   6           H        LYS   6   3.936  10.455  12.058
   36    HA   LYS   6           HA       LYS   6   2.121   8.101  11.838
   37    HB2  LYS   6           2HB      LYS   6   1.801  10.034  13.512
   38    HB3  LYS   6           3HB      LYS   6   1.369  11.036  12.122
   39    HG2  LYS   6           2HG      LYS   6  -0.549   9.568  11.632
   40    HG3  LYS   6           3HG      LYS   6  -0.046   8.451  12.918
   41    HD2  LYS   6           2HD      LYS   6  -0.391  10.243  14.599
   42    HD3  LYS   6           3HD      LYS   6  -0.876  11.363  13.306
   43    HE2  LYS   6           2HE      LYS   6  -2.763   9.858  12.715
   44    HE3  LYS   6           3HE      LYS   6  -2.276   8.736  13.992
   45    HZ1  LYS   6           3HZ      LYS   6  -4.055  10.210  14.740
   46    HZ2  LYS   6           1HZ      LYS   6  -2.712  10.503  15.617
   47    HZ3  LYS   6           2HZ      LYS   6  -3.162  11.541  14.436
   48    H    THR   7           H        THR   7   0.295   8.398  10.160
   49    HA   THR   7           HA       THR   7   1.221   8.325   7.599
   50    HB   THR   7           HB       THR   7  -1.542   9.361   8.202
   51    HG1  THR   7           1HG      THR   7  -2.147   7.377   8.793
   52   HG21  THR   7          1HG2      THR   7  -2.243   8.203   6.278
   53   HG22  THR   7          2HG2      THR   7  -0.714   8.867   5.762
   54   HG23  THR   7          3HG2      THR   7  -0.775   7.194   6.230
   55    H    LEU   8           H        LEU   8   1.520   9.668   5.853
   56    HA   LEU   8           HA       LEU   8   1.601  12.551   6.281
   57    HB2  LEU   8           2HB      LEU   8   2.669  12.768   4.301
   58    HB3  LEU   8           3HB      LEU   8   3.169  11.165   4.786
   59    HG   LEU   8           HG       LEU   8   1.056  11.883   2.691
   60   HD11  LEU   8          1HD1      LEU   8   3.789  10.581   2.399
   61   HD12  LEU   8          2HD1      LEU   8   2.652  10.964   1.094
   62   HD13  LEU   8          3HD1      LEU   8   3.409  12.274   2.014
   63   HD21  LEU   8          3HD2      LEU   8   2.082   9.147   3.510
   64   HD22  LEU   8          1HD2      LEU   8   0.436   9.719   3.754
   65   HD23  LEU   8          2HD2      LEU   8   1.043   9.476   2.115
   66    H    GLY   9           H        GLY   9  -0.970  10.517   5.400
   67    HA2  GLY   9           2HA      GLY   9  -3.205  11.166   5.235
   68    HA3  GLY   9           3HA      GLY   9  -2.729  12.799   4.789
   69    H    ASP  10           H        ASP  10  -1.240  10.220   2.866
   70    HA   ASP  10           HA       ASP  10  -3.193  10.724   0.678
   71    HB2  ASP  10           2HB      ASP  10  -0.175  10.963   0.508
   72    HB3  ASP  10           3HB      ASP  10  -1.268  10.963  -0.874
   73    H    PHE  11           H        PHE  11  -1.450   8.300   2.384
   74    HA   PHE  11           HA       PHE  11  -2.636   6.340   0.604
   75    HB2  PHE  11           2HB      PHE  11  -0.394   5.032   0.497
   76    HB3  PHE  11           3HB      PHE  11  -0.807   6.245  -0.661
   77    HD1  PHE  11           HD1      PHE  11   1.079   6.188   2.650
   78    HD2  PHE  11           HD2      PHE  11   0.877   7.572  -1.432
   79    HE1  PHE  11           HE1      PHE  11   3.364   7.110   2.842
   80    HE2  PHE  11           HE2      PHE  11   3.131   8.571  -1.200
   81    HZ   PHE  11           HZ       PHE  11   4.388   8.325   0.936
   82    H    ALA  12           H        ALA  12  -2.684   4.200   1.402
   83    HA   ALA  12           HA       ALA  12  -2.648   3.994   4.381
   84    HB1  ALA  12           1HB      ALA  12  -4.854   4.842   3.584
   85    HB2  ALA  12           2HB      ALA  12  -5.004   3.420   2.539
   86    HB3  ALA  12           3HB      ALA  12  -4.980   3.214   4.296
   87    H    ALA  13           H        ALA  13  -2.779   1.841   5.230
   88    HA   ALA  13           HA       ALA  13  -2.376  -0.429   3.343
   89    HB1  ALA  13           1HB      ALA  13  -0.743   0.180   5.845
   90    HB2  ALA  13           2HB      ALA  13  -0.480  -1.135   4.671
   91    HB3  ALA  13           3HB      ALA  13  -0.231   0.556   4.193
   92    H    GLU  14           H        GLU  14  -3.236  -2.374   3.969
   93    HA   GLU  14           HA       GLU  14  -3.943  -2.971   6.751
   94    HB2  GLU  14           2HB      GLU  14  -6.301  -3.512   6.245
   95    HB3  GLU  14           3HB      GLU  14  -5.971  -1.791   6.116
   96    HG2  GLU  14           2HG      GLU  14  -5.997  -1.877   3.691
   97    HG3  GLU  14           3HG      GLU  14  -6.034  -3.642   3.696
   98    H    TYR  15           H        TYR  15  -4.736  -5.330   6.943
   99    HA   TYR  15           HA       TYR  15  -3.927  -7.105   4.728
  100    HB2  TYR  15           2HB      TYR  15  -5.725  -7.602   7.118
  101    HB3  TYR  15           3HB      TYR  15  -5.173  -8.814   5.972
  102    HD1  TYR  15           HD2      TYR  15  -2.170  -7.368   6.030
  103    HD2  TYR  15           HD1      TYR  15  -4.926  -9.081   8.887
  104    HE1  TYR  15           HE2      TYR  15  -0.271  -7.997   7.483
  105    HE2  TYR  15           HE1      TYR  15  -3.020  -9.676  10.354
  106    HH   TYR  15           HH       TYR  15  -0.775  -9.701  10.603
  107    H    ALA  16           H        ALA  16  -5.156  -7.761   3.091
  108    HA   ALA  16           HA       ALA  16  -7.485  -6.389   2.234
  109    HB1  ALA  16           1HB      ALA  16  -6.303  -9.060   1.458
  110    HB2  ALA  16           2HB      ALA  16  -7.532  -8.180   0.517
  111    HB3  ALA  16           3HB      ALA  16  -5.907  -7.488   0.744
  112    H    LYS  17           H        LYS  17  -9.407  -6.472   3.365
  113    HA   LYS  17           HA       LYS  17 -10.173  -8.781   4.967
  114    HB2  LYS  17           2HB      LYS  17 -11.469  -6.094   4.406
  115    HB3  LYS  17           3HB      LYS  17 -12.251  -7.329   5.382
  116    HG2  LYS  17           2HG      LYS  17 -11.142  -6.692   7.189
  117    HG3  LYS  17           3HG      LYS  17  -9.628  -7.176   6.446
  118    HD2  LYS  17           2HD      LYS  17  -9.441  -4.919   7.246
  119    HD3  LYS  17           3HD      LYS  17  -9.371  -4.909   5.481
  120    HE2  LYS  17           2HE      LYS  17 -11.693  -4.154   5.337
  121    HE3  LYS  17           3HE      LYS  17 -11.903  -4.332   7.086
  122    HZ1  LYS  17           3HZ      LYS  17  -9.971  -2.442   5.829
  123    HZ2  LYS  17           1HZ      LYS  17 -11.454  -2.012   6.388
  124    HZ3  LYS  17           2HZ      LYS  17 -10.312  -2.555   7.421
  125    H    SER  18           H        SER  18 -10.829  -8.106   1.673
  126    HA   SER  18           HA       SER  18 -12.493 -10.535   1.604
  127    HB2  SER  18           2HB      SER  18 -14.058  -8.505   1.740
  128    HB3  SER  18           3HB      SER  18 -13.486  -8.095   0.103
  129    HG   SER  18           HG       SER  18 -15.407  -9.479   0.238
  130    H    ASN  19           H        ASN  19 -12.581 -11.537  -0.461
  131    HA   ASN  19           HA       ASN  19 -10.156 -11.055  -2.055
  132    HB2  ASN  19           2HB      ASN  19 -11.102 -13.330  -1.065
  133    HB3  ASN  19           3HB      ASN  19 -12.055 -13.357  -2.538
  134   HD21  ASN  19          2HD2      ASN  19  -9.594 -14.975  -1.500
  135   HD22  ASN  19          1HD2      ASN  19  -8.443 -14.817  -2.837
  136    H    ARG  20           H        ARG  20 -11.982  -9.042  -2.316
  137    HA   ARG  20           HA       ARG  20 -13.233  -9.315  -5.035
  138    HB2  ARG  20           2HB      ARG  20 -14.255  -7.849  -2.569
  139    HB3  ARG  20           3HB      ARG  20 -15.021  -7.809  -4.151
  140    HG2  ARG  20           2HG      ARG  20 -14.700 -10.258  -2.369
  141    HG3  ARG  20           3HG      ARG  20 -16.181  -9.354  -2.652
  142    HD2  ARG  20           2HD      ARG  20 -14.641 -10.986  -4.707
  143    HD3  ARG  20           3HD      ARG  20 -16.141 -11.456  -3.904
  144    HE   ARG  20           HE       ARG  20 -16.807  -9.059  -5.089
  145   HH11  ARG  20          1HH2      ARG  20 -15.541 -12.059  -6.380
  146   HH12  ARG  20          2HH2      ARG  20 -16.271 -11.802  -7.941
  147   HH21  ARG  20          1HH1      ARG  20 -17.701  -8.787  -7.105
  148   HH22  ARG  20          2HH1      ARG  20 -17.465  -9.997  -8.331
  149    H    SER  21           H        SER  21 -10.927  -7.557  -3.318
  150    HA   SER  21           HA       SER  21 -11.188  -5.059  -4.866
  151    HB2  SER  21           2HB      SER  21 -10.401  -5.078  -2.516
  152    HB3  SER  21           3HB      SER  21  -8.968  -5.990  -3.012
  153    HG   SER  21           HG       SER  21  -9.749  -3.374  -3.866
  154    H    THR  22           H        THR  22  -9.218  -4.295  -6.137
  155    HA   THR  22           HA       THR  22  -7.778  -6.444  -7.582
  156    HB   THR  22           HB       THR  22  -9.297  -4.303  -9.057
  157    HG1  THR  22           1HG      THR  22 -10.775  -5.795  -8.254
  158   HG21  THR  22          1HG2      THR  22  -8.815  -5.560 -11.074
  159   HG22  THR  22          2HG2      THR  22  -7.290  -5.201 -10.255
  160   HG23  THR  22          3HG2      THR  22  -8.007  -6.827 -10.141
  161    H    CYS  23           HN       CYS  23  -5.789  -5.871  -8.051
  162    HA   CYS  23           HA       CYS  23  -4.715  -3.421  -7.001
  163    HB2  CYS  23           2HB      CYS  23  -3.516  -5.407  -6.642
  164    HB3  CYS  23           3HB      CYS  23  -3.743  -5.926  -8.310
  165    H    LYS  24           H        LYS  24  -4.748  -1.584  -8.094
  166    HA   LYS  24           HA       LYS  24  -4.978  -1.340 -10.999
  167    HB2  LYS  24           2HB      LYS  24  -4.536   0.573  -8.692
  168    HB3  LYS  24           3HB      LYS  24  -4.341   1.120 -10.357
  169    HG2  LYS  24           2HG      LYS  24  -6.575   1.617  -9.632
  170    HG3  LYS  24           3HG      LYS  24  -6.613   0.437 -10.931
  171    HD2  LYS  24           2HD      LYS  24  -7.151  -1.352  -9.378
  172    HD3  LYS  24           3HD      LYS  24  -6.892  -0.281  -7.981
  173    HE2  LYS  24           2HE      LYS  24  -8.792   1.127  -8.713
  174    HE3  LYS  24           3HE      LYS  24  -9.010   0.113 -10.145
  175    HZ1  LYS  24           3HZ      LYS  24  -9.524  -1.754  -8.675
  176    HZ2  LYS  24           1HZ      LYS  24  -9.305  -0.841  -7.342
  177    HZ3  LYS  24           2HZ      LYS  24 -10.544  -0.516  -8.360
  178    H    GLY  25           H        GLY  25  -2.305  -1.994  -8.984
  179    HA2  GLY  25           2HA      GLY  25  -0.217  -0.778 -10.604
  180    HA3  GLY  25           3HA      GLY  25  -0.021  -1.997  -9.344
  181    H    CYS  26           HN       CYS  26  -1.840  -3.914 -10.724
  182    HA   CYS  26           HA       CYS  26  -0.443  -4.415 -13.288
  183    HB2  CYS  26           2HB      CYS  26   0.007  -6.718 -12.818
  184    HB3  CYS  26           3HB      CYS  26   0.763  -5.711 -11.584
  185    H    MET  27           H        MET  27  -3.424  -4.194 -11.844
  186    HA   MET  27           HA       MET  27  -5.511  -4.665 -12.374
  187    HB2  MET  27           2HB      MET  27  -4.698  -3.705 -14.636
  188    HB3  MET  27           3HB      MET  27  -4.784  -5.369 -15.207
  189    HG2  MET  27           2HG      MET  27  -6.892  -4.757 -15.740
  190    HG3  MET  27           3HG      MET  27  -7.237  -5.214 -14.080
  191    HE1  MET  27           3HE      MET  27  -7.500  -3.363 -12.071
  192    HE2  MET  27           1HE      MET  27  -5.970  -2.549 -12.487
  193    HE3  MET  27           2HE      MET  27  -7.467  -1.608 -12.354
  194    H    GLU  28           H        GLU  28  -4.506  -6.498 -10.885
  195    HA   GLU  28           HA       GLU  28  -5.949  -8.936 -11.772
  196    HB2  GLU  28           2HB      GLU  28  -3.209  -9.021 -10.450
  197    HB3  GLU  28           3HB      GLU  28  -4.306 -10.386 -10.656
  198    HG2  GLU  28           2HG      GLU  28  -4.222 -10.071 -13.130
  199    HG3  GLU  28           3HG      GLU  28  -3.048  -8.769 -12.906
  200    H    LYS  29           H        LYS  29  -6.778 -10.208 -10.007
  201    HA   LYS  29           HA       LYS  29  -7.977  -8.475  -8.071
  202    HB2  LYS  29           2HB      LYS  29  -9.089 -10.508  -7.234
  203    HB3  LYS  29           3HB      LYS  29  -9.278 -10.238  -8.964
  204    HG2  LYS  29           2HG      LYS  29  -7.535 -11.947  -9.443
  205    HG3  LYS  29           3HG      LYS  29  -7.347 -12.253  -7.715
  206    HD2  LYS  29           2HD      LYS  29  -9.962 -12.582  -9.252
  207    HD3  LYS  29           3HD      LYS  29  -8.819 -13.898  -8.995
  208    HE2  LYS  29           2HE      LYS  29 -10.019 -12.308  -6.689
  209    HE3  LYS  29           3HE      LYS  29 -10.822 -13.720  -7.375
  210    HZ1  LYS  29           3HZ      LYS  29  -9.034 -15.104  -6.694
  211    HZ2  LYS  29           1HZ      LYS  29  -8.032 -13.857  -6.340
  212    HZ3  LYS  29           2HZ      LYS  29  -9.323 -14.111  -5.410
  213    H    ILE  30           H        ILE  30  -7.626  -8.111  -6.006
  214    HA   ILE  30           HA       ILE  30  -5.139  -9.067  -4.772
  215    HB   ILE  30           HB       ILE  30  -7.244  -7.040  -3.999
  216   HG12  ILE  30          2HG1      ILE  30  -4.247  -6.689  -4.463
  217   HG13  ILE  30          3HG1      ILE  30  -5.407  -6.616  -5.779
  218   HG21  ILE  30          1HG2      ILE  30  -6.470  -8.109  -1.888
  219   HG22  ILE  30          2HG2      ILE  30  -4.784  -7.788  -2.364
  220   HG23  ILE  30          3HG2      ILE  30  -5.907  -6.455  -2.034
  221   HD11  ILE  30          3HD1      ILE  30  -6.554  -4.716  -4.738
  222   HD12  ILE  30          1HD1      ILE  30  -5.390  -4.737  -3.386
  223   HD13  ILE  30          2HD1      ILE  30  -4.841  -4.386  -5.028
  224    H    GLU  31           H        GLU  31  -4.964 -10.719  -3.407
  225    HA   GLU  31           HA       GLU  31  -7.258 -12.395  -2.812
  226    HB2  GLU  31           2HB      GLU  31  -4.344 -12.622  -1.967
  227    HB3  GLU  31           3HB      GLU  31  -5.574 -13.856  -1.724
  228    HG2  GLU  31           2HG      GLU  31  -4.480 -12.853  -4.378
  229    HG3  GLU  31           3HG      GLU  31  -4.167 -14.409  -3.622
  230    H    LYS  32           H        LYS  32  -8.105 -12.912  -0.858
  231    HA   LYS  32           HA       LYS  32  -8.105 -10.938   1.272
  232    HB2  LYS  32           2HB      LYS  32 -10.056 -12.349   0.708
  233    HB3  LYS  32           3HB      LYS  32  -9.187 -13.789   1.254
  234    HG2  LYS  32           2HG      LYS  32  -9.105 -12.856   3.555
  235    HG3  LYS  32           3HG      LYS  32  -9.913 -11.380   2.985
  236    HD2  LYS  32           2HD      LYS  32 -11.900 -12.711   2.366
  237    HD3  LYS  32           3HD      LYS  32 -11.079 -14.192   2.910
  238    HE2  LYS  32           2HE      LYS  32 -10.904 -13.278   5.197
  239    HE3  LYS  32           3HE      LYS  32 -11.660 -11.769   4.676
  240    HZ1  LYS  32           3HZ      LYS  32 -12.986 -14.430   4.628
  241    HZ2  LYS  32           1HZ      LYS  32 -13.270 -13.254   5.723
  242    HZ3  LYS  32           2HZ      LYS  32 -13.681 -13.022   4.163
  243    H    GLY  33           H        GLY  33  -7.279 -11.049   3.326
  244    HA2  GLY  33           2HA      GLY  33  -5.998 -11.710   5.115
  245    HA3  GLY  33           3HA      GLY  33  -5.887 -13.319   4.402
  246    H    GLN  34           H        GLN  34  -4.617 -10.868   2.306
  247    HA   GLN  34           HA       GLN  34  -1.925 -10.956   3.530
  248    HB2  GLN  34           2HB      GLN  34  -0.854 -11.109   1.360
  249    HB3  GLN  34           3HB      GLN  34  -1.803 -12.530   1.741
  250    HG2  GLN  34           2HG      GLN  34  -2.113 -12.120  -0.583
  251    HG3  GLN  34           3HG      GLN  34  -3.625 -11.689   0.201
  252   HE21  GLN  34          2HE2      GLN  34  -4.418  -9.608  -0.270
  253   HE22  GLN  34          1HE2      GLN  34  -3.328  -8.249  -0.346
  254    H    VAL  35           H        VAL  35  -0.593  -9.004   2.695
  255    HA   VAL  35           HA       VAL  35  -2.031  -6.694   3.545
  256    HB   VAL  35           HB       VAL  35   0.635  -6.889   2.109
  257   HG11  VAL  35          1HG1      VAL  35  -0.135  -4.563   1.983
  258   HG12  VAL  35          2HG1      VAL  35  -0.544  -4.575   3.716
  259   HG13  VAL  35          3HG1      VAL  35   1.145  -4.694   3.177
  260   HG21  VAL  35          3HG2      VAL  35   1.605  -6.665   4.359
  261   HG22  VAL  35          1HG2      VAL  35  -0.019  -6.693   5.071
  262   HG23  VAL  35          2HG2      VAL  35   0.624  -8.124   4.241
  263    H    ARG  36           H        ARG  36  -2.862  -4.877   2.475
  264    HA   ARG  36           HA       ARG  36  -2.289  -4.559  -0.378
  265    HB2  ARG  36           2HB      ARG  36  -4.498  -4.035  -1.102
  266    HB3  ARG  36           3HB      ARG  36  -4.452  -5.682  -0.473
  267    HG2  ARG  36           2HG      ARG  36  -5.602  -4.998   1.571
  268    HG3  ARG  36           3HG      ARG  36  -5.495  -3.297   1.110
  269    HD2  ARG  36           2HD      ARG  36  -6.839  -3.816  -0.957
  270    HD3  ARG  36           3HD      ARG  36  -7.104  -5.448  -0.317
  271    HE   ARG  36           HE       ARG  36  -7.946  -3.936   1.782
  272   HH11  ARG  36          1HH2      ARG  36  -8.827  -3.445  -1.615
  273   HH12  ARG  36          2HH2      ARG  36 -10.295  -2.651  -1.133
  274   HH21  ARG  36          1HH1      ARG  36  -9.710  -3.027   2.232
  275   HH22  ARG  36          2HH1      ARG  36 -10.852  -2.455   1.010
  276    H    LEU  37           H        LEU  37  -2.179  -2.479  -1.058
  277    HA   LEU  37           HA       LEU  37  -2.304  -0.382   1.058
  278    HB2  LEU  37           2HB      LEU  37  -0.495  -0.362  -1.376
  279    HB3  LEU  37           3HB      LEU  37  -0.535   0.752   0.028
  280    HG   LEU  37           HG       LEU  37   1.412  -0.410   0.243
  281   HD11  LEU  37          1HD1      LEU  37  -0.484  -1.828   2.126
  282   HD12  LEU  37          2HD1      LEU  37   1.252  -1.508   2.353
  283   HD13  LEU  37          3HD1      LEU  37   0.105  -0.156   2.252
  284   HD21  LEU  37          3HD2      LEU  37   1.742  -2.782   0.243
  285   HD22  LEU  37          1HD2      LEU  37   0.017  -3.122   0.089
  286   HD23  LEU  37          2HD2      LEU  37   0.886  -2.369  -1.258
  287    H    SER  38           H        SER  38  -3.031   1.704   0.430
  288    HA   SER  38           HA       SER  38  -4.362   1.914  -2.218
  289    HB2  SER  38           2HB      SER  38  -6.148   1.689  -0.628
  290    HB3  SER  38           3HB      SER  38  -5.431   2.933   0.415
  291    HG   SER  38           HG       SER  38  -6.969   3.953  -0.759
  292    H    LYS  39           H        LYS  39  -4.123   3.811  -3.277
  293    HA   LYS  39           HA       LYS  39  -2.660   6.115  -2.002
  294    HB2  LYS  39           2HB      LYS  39  -1.546   5.347  -4.032
  295    HB3  LYS  39           3HB      LYS  39  -3.081   5.313  -4.899
  296    HG2  LYS  39           2HG      LYS  39  -2.009   7.204  -5.704
  297    HG3  LYS  39           3HG      LYS  39  -3.239   7.831  -4.605
  298    HD2  LYS  39           2HD      LYS  39  -1.523   8.209  -2.876
  299    HD3  LYS  39           3HD      LYS  39  -0.279   7.516  -3.944
  300    HE2  LYS  39           2HE      LYS  39  -0.734   9.239  -5.642
  301    HE3  LYS  39           3HE      LYS  39  -2.041   9.907  -4.654
  302    HZ1  LYS  39           3HZ      LYS  39   0.013  11.177  -4.378
  303    HZ2  LYS  39           1HZ      LYS  39  -0.373  10.464  -2.955
  304    HZ3  LYS  39           2HZ      LYS  39   0.829   9.845  -3.890
  305    H    LYS  40           H        LYS  40  -3.883   7.875  -1.512
  306    HA   LYS  40           HA       LYS  40  -6.664   8.036  -2.565
  307    HB2  LYS  40           2HB      LYS  40  -6.526   8.026  -0.230
  308    HB3  LYS  40           3HB      LYS  40  -5.295   9.264  -0.187
  309    HG2  LYS  40           2HG      LYS  40  -8.105   9.752  -1.328
  310    HG3  LYS  40           3HG      LYS  40  -7.761   9.870   0.393
  311    HD2  LYS  40           2HD      LYS  40  -6.721  11.663  -1.805
  312    HD3  LYS  40           3HD      LYS  40  -7.737  12.084  -0.424
  313    HE2  LYS  40           2HE      LYS  40  -5.782  11.540   1.090
  314    HE3  LYS  40           3HE      LYS  40  -4.818  11.236  -0.364
  315    HZ1  LYS  40           3HZ      LYS  40  -4.329  13.389   0.260
  316    HZ2  LYS  40           1HZ      LYS  40  -5.312  13.580  -1.011
  317    HZ3  LYS  40           2HZ      LYS  40  -5.902  13.837   0.504
  318    H    MET  41           H        MET  41  -6.977   9.195  -4.322
  319    HA   MET  41           HA       MET  41  -5.837  11.858  -4.667
  320    HB2  MET  41           2HB      MET  41  -4.684  11.466  -6.766
  321    HB3  MET  41           3HB      MET  41  -3.926  10.576  -5.453
  322    HG2  MET  41           2HG      MET  41  -5.092   8.500  -6.213
  323    HG3  MET  41           3HG      MET  41  -5.786   9.414  -7.559
  324    HE1  MET  41           3HE      MET  41  -4.954   7.783  -9.320
  325    HE2  MET  41           1HE      MET  41  -3.283   7.158  -9.412
  326    HE3  MET  41           2HE      MET  41  -4.301   6.766  -8.006
  327    H    VAL  42           H        VAL  42  -7.050  13.146  -6.098
  328    HA   VAL  42           HA       VAL  42  -9.484  12.177  -7.231
  329    HB   VAL  42           HB       VAL  42  -9.196  14.495  -6.684
  330   HG11  VAL  42          1HG1      VAL  42  -6.804  14.853  -7.248
  331   HG12  VAL  42          2HG1      VAL  42  -7.208  14.743  -8.975
  332   HG13  VAL  42          3HG1      VAL  42  -7.865  16.057  -7.986
  333   HG21  VAL  42          3HG2      VAL  42  -9.554  14.204  -9.669
  334   HG22  VAL  42          1HG2      VAL  42 -10.793  13.831  -8.442
  335   HG23  VAL  42          2HG2      VAL  42 -10.193  15.489  -8.626
  336    H    ASP  43           H        ASP  43  -9.947  11.205  -9.132
  337    HA   ASP  43           HA       ASP  43  -7.815  10.022 -10.676
  338    HB2  ASP  43           2HB      ASP  43  -9.973   8.918 -10.237
  339    HB3  ASP  43           3HB      ASP  43 -10.810  10.146 -11.186
  340    HA   PRO  44           HA       PRO  44  -7.272  13.541 -13.298
  341    HB2  PRO  44           2HB      PRO  44  -5.486  12.560 -15.150
  342    HB3  PRO  44           3HB      PRO  44  -5.063  12.841 -13.433
  343    HG2  PRO  44           2HG      PRO  44  -5.965  10.232 -14.714
  344    HG3  PRO  44           3HG      PRO  44  -4.525  10.511 -13.676
  345    HD2  PRO  44           2HD      PRO  44  -6.826   9.542 -12.663
  346    HD3  PRO  44           3HD      PRO  44  -5.852  10.731 -11.745
  347    H    GLU  45           H        GLU  45  -8.840  10.723 -14.543
  348    HA   GLU  45           HA       GLU  45  -9.719  12.207 -17.008
  349    HB2  GLU  45           2HB      GLU  45  -9.804   9.235 -16.365
  350    HB3  GLU  45           3HB      GLU  45 -10.491   9.998 -17.802
  351    HG2  GLU  45           2HG      GLU  45  -8.216  10.857 -18.407
  352    HG3  GLU  45           3HG      GLU  45  -7.540   9.966 -17.042
  353    H    LYS  46           H        LYS  46 -10.652  11.314 -13.895
  354    HA   LYS  46           HA       LYS  46 -13.522  11.979 -14.365
  355    HB2  LYS  46           2HB      LYS  46 -12.559   9.650 -12.640
  356    HB3  LYS  46           3HB      LYS  46 -14.232  10.134 -12.915
  357    HG2  LYS  46           2HG      LYS  46 -12.378   9.056 -15.057
  358    HG3  LYS  46           3HG      LYS  46 -13.553   8.106 -14.158
  359    HD2  LYS  46           2HD      LYS  46 -15.417   9.173 -15.128
  360    HD3  LYS  46           3HD      LYS  46 -14.477  10.568 -15.679
  361    HE2  LYS  46           2HE      LYS  46 -13.153   9.119 -17.172
  362    HE3  LYS  46           3HE      LYS  46 -14.138   7.722 -16.697
  363    HZ1  LYS  46           3HZ      LYS  46 -14.944   8.702 -18.778
  364    HZ2  LYS  46           1HZ      LYS  46 -16.087   8.881 -17.627
  365    HZ3  LYS  46           2HZ      LYS  46 -15.163  10.156 -18.074
  366    HA   PRO  47           HA       PRO  47 -11.537  14.001 -10.635
  367    HB2  PRO  47           2HB      PRO  47 -11.714  16.677 -11.296
  368    HB3  PRO  47           3HB      PRO  47 -10.321  15.623 -11.675
  369    HG2  PRO  47           2HG      PRO  47 -12.663  16.336 -13.477
  370    HG3  PRO  47           3HG      PRO  47 -10.911  16.359 -13.873
  371    HD2  PRO  47           2HD      PRO  47 -12.490  14.270 -14.567
  372    HD3  PRO  47           3HD      PRO  47 -10.808  14.023 -14.007
  373    H    GLN  48           H        GLN  48 -14.508  14.480 -12.389
  374    HA   GLN  48           HA       GLN  48 -16.049  15.906 -10.508
  375    HB2  GLN  48           2HB      GLN  48 -16.596  15.391 -12.890
  376    HB3  GLN  48           3HB      GLN  48 -16.948  13.718 -12.427
  377    HG2  GLN  48           2HG      GLN  48 -18.788  14.504 -10.967
  378    HG3  GLN  48           3HG      GLN  48 -18.372  16.183 -11.320
  379   HE21  GLN  48          2HE2      GLN  48 -20.887  15.863 -11.822
  380   HE22  GLN  48          1HE2      GLN  48 -21.220  15.539 -13.518
  381    H    LEU  49           H        LEU  49 -15.124  12.429 -10.418
  382    HA   LEU  49           HA       LEU  49 -16.942  12.015  -8.117
  383    HB2  LEU  49           2HB      LEU  49 -16.229   9.656  -8.193
  384    HB3  LEU  49           3HB      LEU  49 -17.100  10.274  -9.586
  385    HG   LEU  49           HG       LEU  49 -15.011  10.402 -10.872
  386   HD11  LEU  49          1HD1      LEU  49 -13.779   9.048  -8.443
  387   HD12  LEU  49          2HD1      LEU  49 -13.000   9.157 -10.037
  388   HD13  LEU  49          3HD1      LEU  49 -13.310  10.623  -9.110
  389   HD21  LEU  49          3HD2      LEU  49 -15.543   7.671  -9.660
  390   HD22  LEU  49          1HD2      LEU  49 -16.445   8.420 -10.999
  391   HD23  LEU  49          2HD2      LEU  49 -14.742   7.998 -11.216
  392    H    GLY  50           H        GLY  50 -13.896  13.367  -8.355
  393    HA2  GLY  50           2HA      GLY  50 -12.686  14.244  -6.636
  394    HA3  GLY  50           3HA      GLY  50 -13.769  13.462  -5.488
  395    H    MET  51           H        MET  51 -11.707  13.258  -4.327
  396    HA   MET  51           HA       MET  51  -9.613  11.608  -5.131
  397    HB2  MET  51           2HB      MET  51 -10.343  12.059  -2.235
  398    HB3  MET  51           3HB      MET  51  -8.760  11.829  -2.980
  399    HG2  MET  51           2HG      MET  51  -9.406  14.072  -4.275
  400    HG3  MET  51           3HG      MET  51 -10.542  14.262  -2.943
  401    HE1  MET  51           3HE      MET  51  -7.142  14.793  -4.337
  402    HE2  MET  51           1HE      MET  51  -5.993  14.684  -2.983
  403    HE3  MET  51           2HE      MET  51  -6.828  13.221  -3.577
  404    H    ILE  52           H        ILE  52  -9.483   9.503  -5.407
  405    HA   ILE  52           HA       ILE  52 -11.387   7.697  -4.022
  406    HB   ILE  52           HB       ILE  52 -11.063   6.202  -6.072
  407   HG12  ILE  52          2HG1      ILE  52 -10.711   7.339  -8.230
  408   HG13  ILE  52          3HG1      ILE  52 -10.187   8.806  -7.415
  409   HG21  ILE  52          1HG2      ILE  52 -12.876   7.274  -7.250
  410   HG22  ILE  52          2HG2      ILE  52 -13.127   7.405  -5.504
  411   HG23  ILE  52          3HG2      ILE  52 -12.560   8.819  -6.428
  412   HD11  ILE  52          3HD1      ILE  52  -8.317   7.396  -8.290
  413   HD12  ILE  52          1HD1      ILE  52  -8.196   7.634  -6.552
  414   HD13  ILE  52          2HD1      ILE  52  -8.817   6.094  -7.174
  415    H    ASP  53           H        ASP  53 -10.672   5.412  -3.918
  416    HA   ASP  53           HA       ASP  53  -7.946   5.295  -2.749
  417    HB2  ASP  53           2HB      ASP  53 -10.528   3.791  -2.240
  418    HB3  ASP  53           3HB      ASP  53  -8.975   3.087  -1.809
  419    H    ARG  54           H        ARG  54  -6.672   4.864  -4.367
  420    HA   ARG  54           HA       ARG  54  -7.176   2.773  -6.415
  421    HB2  ARG  54           2HB      ARG  54  -5.692   5.159  -6.386
  422    HB3  ARG  54           3HB      ARG  54  -4.450   3.936  -6.233
  423    HG2  ARG  54           2HG      ARG  54  -4.691   4.455  -8.520
  424    HG3  ARG  54           3HG      ARG  54  -5.283   2.813  -8.279
  425    HD2  ARG  54           2HD      ARG  54  -7.590   3.544  -8.498
  426    HD3  ARG  54           3HD      ARG  54  -7.124   5.225  -8.211
  427    HE   ARG  54           HE       ARG  54  -5.863   4.261 -10.607
  428   HH11  ARG  54          1HH2      ARG  54  -9.041   5.342  -9.507
  429   HH12  ARG  54          2HH2      ARG  54  -9.256   6.284 -10.990
  430   HH21  ARG  54          1HH1      ARG  54  -6.412   5.441 -12.505
  431   HH22  ARG  54          2HH1      ARG  54  -7.952   6.301 -12.498
  432    H    TRP  55           H        TRP  55  -7.168   0.752  -5.490
  433    HA   TRP  55           HA       TRP  55  -5.228   0.056  -3.442
  434    HB2  TRP  55           2HB      TRP  55  -7.380  -1.578  -4.791
  435    HB3  TRP  55           3HB      TRP  55  -6.309  -2.195  -3.543
  436    HD1  TRP  55           HD1      TRP  55  -9.455  -0.242  -3.965
  437    HE1  TRP  55           HE1      TRP  55 -10.346   0.596  -1.713
  438    HE3  TRP  55           HE3      TRP  55  -5.462  -1.478  -1.001
  439    HZ2  TRP  55           HZ2      TRP  55  -9.428   0.756   1.021
  440    HZ3  TRP  55           HZ3      TRP  55  -5.485  -0.937   1.424
  441    HH2  TRP  55           HH2      TRP  55  -7.461   0.166   2.445
  442    H    TYR  56           H        TYR  56  -3.655  -1.465  -3.463
  443    HA   TYR  56           HA       TYR  56  -2.570  -2.610  -5.968
  444    HB2  TYR  56           2HB      TYR  56  -1.080  -0.972  -3.870
  445    HB3  TYR  56           3HB      TYR  56  -0.344  -1.780  -5.246
  446    HD1  TYR  56           HD2      TYR  56  -1.024  -1.077  -7.576
  447    HD2  TYR  56           HD1      TYR  56  -1.953   1.264  -4.102
  448    HE1  TYR  56           HE2      TYR  56  -1.404   0.936  -9.037
  449    HE2  TYR  56           HE1      TYR  56  -2.336   3.250  -5.539
  450    HH   TYR  56           HH       TYR  56  -2.341   4.094  -7.686
  451    H    HIS  57           H        HIS  57  -1.094  -4.245  -5.654
  452    HA   HIS  57           HA       HIS  57  -1.243  -6.066  -3.328
  453    HB2  HIS  57           2HB      HIS  57   0.487  -6.013  -5.820
  454    HB3  HIS  57           3HB      HIS  57   0.677  -7.219  -4.583
  455    HD2  HIS  57           HD2      HIS  57  -1.871  -8.548  -3.966
  456    HE1  HIS  57           HE1      HIS  57  -2.950  -8.566  -8.078
  457    HE2  HIS  57           HE2      HIS  57  -3.403  -9.629  -5.834
  458    HA   PRO  58           HA       PRO  58   2.382  -4.292  -1.237
  459    HB2  PRO  58           2HB      PRO  58   3.581  -6.450  -0.065
  460    HB3  PRO  58           3HB      PRO  58   2.008  -5.784   0.470
  461    HG2  PRO  58           2HG      PRO  58   2.496  -8.119  -1.414
  462    HG3  PRO  58           3HG      PRO  58   1.418  -8.066   0.019
  463    HD2  PRO  58           2HD      PRO  58   0.448  -7.674  -2.470
  464    HD3  PRO  58           3HD      PRO  58  -0.151  -6.702  -1.107
  465    H    GLY  59           H        GLY  59   2.866  -6.638  -3.775
  466    HA2  GLY  59           2HA      GLY  59   5.734  -5.986  -4.133
  467    HA3  GLY  59           3HA      GLY  59   4.722  -6.978  -5.186
  468    H    CYS  60           HN       CYS  60   2.614  -5.293  -5.818
  469    HA   CYS  60           HA       CYS  60   3.812  -3.850  -7.901
  470    HB2  CYS  60           2HB      CYS  60   0.938  -3.807  -6.924
  471    HB3  CYS  60           3HB      CYS  60   1.500  -3.296  -8.520
  472    H    PHE  61           H        PHE  61   2.340  -2.617  -4.854
  473    HA   PHE  61           HA       PHE  61   2.298   0.105  -5.693
  474    HB2  PHE  61           2HB      PHE  61   1.575   0.600  -3.643
  475    HB3  PHE  61           3HB      PHE  61   1.347  -1.135  -3.527
  476    HD1  PHE  61           HD2      PHE  61   3.215  -2.530  -2.485
  477    HD2  PHE  61           HD1      PHE  61   3.051   1.754  -2.175
  478    HE1  PHE  61           HE2      PHE  61   4.721  -2.620  -0.505
  479    HE2  PHE  61           HE1      PHE  61   4.527   1.672  -0.165
  480    HZ   PHE  61           HZ       PHE  61   5.331  -0.524   0.688
  481    H    VAL  62           H        VAL  62   4.952  -1.837  -4.359
  482    HA   VAL  62           HA       VAL  62   6.955   0.200  -4.157
  483    HB   VAL  62           HB       VAL  62   7.402  -2.700  -4.946
  484   HG11  VAL  62          1HG1      VAL  62   9.591  -2.444  -3.999
  485   HG12  VAL  62          2HG1      VAL  62   9.382  -1.181  -5.193
  486   HG13  VAL  62          3HG1      VAL  62   9.231  -0.785  -3.459
  487   HG21  VAL  62          3HG2      VAL  62   7.757  -3.125  -2.529
  488   HG22  VAL  62          1HG2      VAL  62   7.181  -1.483  -2.162
  489   HG23  VAL  62          2HG2      VAL  62   6.096  -2.684  -2.884
  490    H    LYS  63           H        LYS  63   6.006  -1.895  -6.882
  491    HA   LYS  63           HA       LYS  63   7.931  -0.969  -8.770
  492    HB2  LYS  63           2HB      LYS  63   6.953  -3.059  -9.110
  493    HB3  LYS  63           3HB      LYS  63   5.340  -2.476  -8.807
  494    HG2  LYS  63           2HG      LYS  63   5.313  -1.347 -11.042
  495    HG3  LYS  63           3HG      LYS  63   6.934  -2.006 -11.343
  496    HD2  LYS  63           2HD      LYS  63   5.322  -3.478 -12.399
  497    HD3  LYS  63           3HD      LYS  63   5.998  -4.311 -10.997
  498    HE2  LYS  63           2HE      LYS  63   3.822  -3.134  -9.829
  499    HE3  LYS  63           3HE      LYS  63   3.214  -3.233 -11.470
  500    HZ1  LYS  63           3HZ      LYS  63   2.767  -5.212  -9.967
  501    HZ2  LYS  63           1HZ      LYS  63   3.475  -5.610 -11.406
  502    HZ3  LYS  63           2HZ      LYS  63   4.341  -5.573 -10.018
  503    H    ASN  64           H        ASN  64   5.025   0.611  -7.702
  504    HA   ASN  64           HA       ASN  64   5.541   2.792  -9.683
  505    HB2  ASN  64           2HB      ASN  64   2.906   3.139  -8.737
  506    HB3  ASN  64           3HB      ASN  64   3.479   2.834 -10.351
  507   HD21  ASN  64          1HD2      ASN  64   1.802   1.515  -7.616
  508   HD22  ASN  64          2HD2      ASN  64   1.433  -0.021  -8.397
  509    H    ARG  65           H        ARG  65   6.565   2.268  -6.674
  510    HA   ARG  65           HA       ARG  65   5.199   4.094  -5.136
  511    HB2  ARG  65           2HB      ARG  65   6.611   3.687  -3.470
  512    HB3  ARG  65           3HB      ARG  65   7.040   2.349  -4.484
  513    HG2  ARG  65           2HG      ARG  65   8.620   4.960  -4.251
  514    HG3  ARG  65           3HG      ARG  65   8.927   3.481  -3.351
  515    HD2  ARG  65           2HD      ARG  65   9.187   2.361  -5.680
  516    HD3  ARG  65           3HD      ARG  65   9.315   3.999  -6.300
  517    HE   ARG  65           HE       ARG  65  11.378   4.288  -5.158
  518   HH11  ARG  65          1HH2      ARG  65  10.145   1.070  -4.594
  519   HH12  ARG  65          2HH2      ARG  65  11.526   0.594  -3.629
  520   HH21  ARG  65          1HH1      ARG  65  13.225   3.541  -4.122
  521   HH22  ARG  65          2HH1      ARG  65  13.289   1.890  -3.571
  522    H    GLU  66           H        GLU  66   7.774   4.912  -7.362
  523    HA   GLU  66           HA       GLU  66   7.980   7.669  -6.507
  524    HB2  GLU  66           2HB      GLU  66   9.317   8.007  -8.504
  525    HB3  GLU  66           3HB      GLU  66   9.831   6.570  -7.622
  526    HG2  GLU  66           2HG      GLU  66   8.599   5.135  -9.256
  527    HG3  GLU  66           3HG      GLU  66   8.112   6.579 -10.143
  528    H    GLU  67           H        GLU  67   5.796   5.967  -8.640
  529    HA   GLU  67           HA       GLU  67   4.608   8.368  -9.814
  530    HB2  GLU  67           2HB      GLU  67   4.742   6.253 -11.061
  531    HB3  GLU  67           3HB      GLU  67   3.662   5.490  -9.887
  532    HG2  GLU  67           2HG      GLU  67   1.852   7.003 -10.470
  533    HG3  GLU  67           3HG      GLU  67   2.923   7.960 -11.500
  534    H    LEU  68           H        LEU  68   3.911   6.051  -7.184
  535    HA   LEU  68           HA       LEU  68   1.495   7.377  -6.260
  536    HB2  LEU  68           2HB      LEU  68   3.380   5.549  -4.730
  537    HB3  LEU  68           3HB      LEU  68   1.733   5.968  -4.281
  538    HG   LEU  68           HG       LEU  68   2.599   4.268  -6.648
  539   HD11  LEU  68          1HD1      LEU  68   1.012   3.613  -4.147
  540   HD12  LEU  68          2HD1      LEU  68   1.353   2.498  -5.483
  541   HD13  LEU  68          3HD1      LEU  68   2.687   3.123  -4.500
  542   HD21  LEU  68          3HD2      LEU  68  -0.222   5.063  -5.883
  543   HD22  LEU  68          1HD2      LEU  68   0.649   5.575  -7.348
  544   HD23  LEU  68          2HD2      LEU  68   0.257   3.876  -7.119
  545    H    GLY  69           H        GLY  69   4.867   8.080  -5.822
  546    HA2  GLY  69           2HA      GLY  69   5.481  10.346  -5.409
  547    HA3  GLY  69           3HA      GLY  69   4.081  10.562  -4.363
  548    H    PHE  70           H        PHE  70   5.904   7.649  -3.787
  549    HA   PHE  70           HA       PHE  70   6.678   8.441  -1.118
  550    HB2  PHE  70           2HB      PHE  70   7.310   6.085  -2.903
  551    HB3  PHE  70           3HB      PHE  70   8.098   6.282  -1.354
  552    HD1  PHE  70           HD1      PHE  70   6.863   6.153   0.754
  553    HD2  PHE  70           HD2      PHE  70   4.977   5.363  -3.031
  554    HE1  PHE  70           HE1      PHE  70   5.038   4.966   1.930
  555    HE2  PHE  70           HE2      PHE  70   3.116   4.194  -1.856
  556    HZ   PHE  70           HZ       PHE  70   3.166   3.969   0.619
  557    H    ARG  71           H        ARG  71   8.423   9.384  -0.389
  558    HA   ARG  71           HA       ARG  71  11.044   9.248  -1.752
  559    HB2  ARG  71           2HB      ARG  71   9.854  11.789  -0.551
  560    HB3  ARG  71           3HB      ARG  71  11.472  11.621  -1.227
  561    HG2  ARG  71           2HG      ARG  71  10.576  11.245  -3.468
  562    HG3  ARG  71           3HG      ARG  71   8.911  11.318  -2.852
  563    HD2  ARG  71           2HD      ARG  71   9.284  13.608  -2.046
  564    HD3  ARG  71           3HD      ARG  71  10.932  13.572  -2.673
  565    HE   ARG  71           HE       ARG  71  10.150  13.722  -4.880
  566   HH11  ARG  71          1HH2      ARG  71   7.354  13.624  -2.735
  567   HH12  ARG  71          2HH2      ARG  71   6.257  13.978  -4.038
  568   HH21  ARG  71          1HH1      ARG  71   8.684  14.225  -6.453
  569   HH22  ARG  71          2HH1      ARG  71   6.994  14.348  -6.068
  570    HA   PRO  72           HA       PRO  72  12.552   7.862   1.957
  571    HB2  PRO  72           2HB      PRO  72  14.567  10.108   2.188
  572    HB3  PRO  72           3HB      PRO  72  14.828   8.343   2.365
  573    HG2  PRO  72           2HG      PRO  72  15.456   9.553   0.040
  574    HG3  PRO  72           3HG      PRO  72  14.549   8.002   0.003
  575    HD2  PRO  72           2HD      PRO  72  13.481  10.820  -0.282
  576    HD3  PRO  72           3HD      PRO  72  13.108   9.367  -1.256
  577    H    GLU  73           H        GLU  73  11.897  11.359   2.350
  578    HA   GLU  73           HA       GLU  73  11.836  11.258   5.243
  579    HB2  GLU  73           2HB      GLU  73  10.733  13.443   5.092
  580    HB3  GLU  73           3HB      GLU  73  12.211  13.371   4.151
  581    HG2  GLU  73           2HG      GLU  73   9.622  12.812   2.702
  582    HG3  GLU  73           3HG      GLU  73   9.918  14.455   3.247
  583    H    TYR  74           H        TYR  74   9.585  10.050   2.950
  584    HA   TYR  74           HA       TYR  74   7.723   9.402   5.114
  585    HB2  TYR  74           2HB      TYR  74   5.738  10.084   3.658
  586    HB3  TYR  74           3HB      TYR  74   6.606  11.264   4.607
  587    HD1  TYR  74           HD2      TYR  74   7.276   9.945   1.131
  588    HD2  TYR  74           HD1      TYR  74   6.394  13.323   3.650
  589    HE1  TYR  74           HE2      TYR  74   7.420  11.477  -0.841
  590    HE2  TYR  74           HE1      TYR  74   6.565  14.841   1.695
  591    HH   TYR  74           HH       TYR  74   6.938  15.003  -0.552
  592    H    SER  75           H        SER  75   9.196   7.613   4.505
  593    HA   SER  75           HA       SER  75   8.549   5.666   2.507
  594    HB2  SER  75           2HB      SER  75  10.609   5.795   3.867
  595    HB3  SER  75           3HB      SER  75   9.679   5.378   5.316
  596    HG   SER  75           HG       SER  75  10.332   3.779   3.062
  597    H    ALA  76           H        ALA  76   7.976   3.341   3.755
  598    HA   ALA  76           HA       ALA  76   5.177   3.192   3.742
  599    HB1  ALA  76           1HB      ALA  76   6.712   1.323   3.284
  600    HB2  ALA  76           2HB      ALA  76   7.217   1.303   4.991
  601    HB3  ALA  76           3HB      ALA  76   5.548   0.889   4.555
  602    H    SER  77           H        SER  77   7.150   4.064   6.551
  603    HA   SER  77           HA       SER  77   5.250   3.424   8.586
  604    HB2  SER  77           2HB      SER  77   7.290   5.684   8.522
  605    HB3  SER  77           3HB      SER  77   6.493   5.025   9.961
  606    HG   SER  77           HG       SER  77   8.590   4.141   9.642
  607    H    GLN  78           H        GLN  78   5.295   5.964   6.185
  608    HA   GLN  78           HA       GLN  78   3.287   7.558   7.544
  609    HB2  GLN  78           2HB      GLN  78   4.943   7.948   5.042
  610    HB3  GLN  78           3HB      GLN  78   3.518   8.913   5.350
  611    HG2  GLN  78           2HG      GLN  78   5.314  10.196   6.135
  612    HG3  GLN  78           3HG      GLN  78   4.396   9.664   7.503
  613   HE21  GLN  78          2HE2      GLN  78   6.339  10.359   8.690
  614   HE22  GLN  78          1HE2      GLN  78   7.650   9.192   8.889
  615    H    LEU  79           H        LEU  79   2.837   4.692   6.216
  616    HA   LEU  79           HA       LEU  79   0.334   5.287   4.734
  617    HB2  LEU  79           2HB      LEU  79   1.728   2.739   5.616
  618    HB3  LEU  79           3HB      LEU  79   0.150   2.743   4.860
  619    HG   LEU  79           HG       LEU  79   2.491   4.010   3.411
  620   HD11  LEU  79          1HD1      LEU  79   1.794   1.051   3.331
  621   HD12  LEU  79          2HD1      LEU  79   2.966   1.892   2.297
  622   HD13  LEU  79          3HD1      LEU  79   3.257   1.739   4.037
  623   HD21  LEU  79          3HD2      LEU  79   0.060   2.495   2.415
  624   HD22  LEU  79          1HD2      LEU  79   0.137   4.254   2.627
  625   HD23  LEU  79          2HD2      LEU  79   1.191   3.458   1.456
  626    H    LYS  80           H        LYS  80  -1.693   5.199   5.626
  627    HA   LYS  80           HA       LYS  80  -2.234   5.135   8.417
  628    HB2  LYS  80           2HB      LYS  80  -4.159   4.068   6.312
  629    HB3  LYS  80           3HB      LYS  80  -4.555   4.725   7.893
  630    HG2  LYS  80           2HG      LYS  80  -3.825   6.966   7.141
  631    HG3  LYS  80           3HG      LYS  80  -3.444   6.279   5.539
  632    HD2  LYS  80           2HD      LYS  80  -5.962   5.455   5.610
  633    HD3  LYS  80           3HD      LYS  80  -6.138   6.683   6.878
  634    HE2  LYS  80           2HE      LYS  80  -5.170   8.377   5.291
  635    HE3  LYS  80           3HE      LYS  80  -5.066   7.112   4.055
  636    HZ1  LYS  80           3HZ      LYS  80  -7.103   8.449   3.812
  637    HZ2  LYS  80           1HZ      LYS  80  -7.502   6.905   4.164
  638    HZ3  LYS  80           2HZ      LYS  80  -7.595   8.060   5.317
  639    H    GLY  81           H        GLY  81  -2.703   3.461   9.839
  640    HA2  GLY  81           2HA      GLY  81  -3.010   1.336  10.693
  641    HA3  GLY  81           3HA      GLY  81  -3.661   0.910   9.110
  642    H    PHE  82           H        PHE  82  -0.428   1.829   8.671
  643    HA   PHE  82           HA       PHE  82   0.512  -0.740   7.966
  644    HB2  PHE  82           2HB      PHE  82   1.637   0.997   6.977
  645    HB3  PHE  82           3HB      PHE  82   1.672   1.986   8.425
  646    HD1  PHE  82           HD1      PHE  82   3.347   1.635  10.211
  647    HD2  PHE  82           HD2      PHE  82   3.575  -0.393   6.406
  648    HE1  PHE  82           HE1      PHE  82   5.747   1.161  10.607
  649    HE2  PHE  82           HE2      PHE  82   5.984  -0.821   6.800
  650    HZ   PHE  82           HZ       PHE  82   7.066  -0.070   8.895
  651    H    SER  83           H        SER  83   0.707   1.072  11.005
  652    HA   SER  83           HA       SER  83   2.511  -0.534  12.479
  653    HB2  SER  83           2HB      SER  83   1.421   0.593  14.432
  654    HB3  SER  83           3HB      SER  83   1.901   1.708  13.134
  655    HG   SER  83           HG       SER  83  -0.238   2.112  13.919
  656    H    LEU  84           H        LEU  84  -0.899  -1.034  11.758
  657    HA   LEU  84           HA       LEU  84  -1.366  -3.001  13.816
  658    HB2  LEU  84           2HB      LEU  84  -2.924  -1.230  12.513
  659    HB3  LEU  84           3HB      LEU  84  -3.105  -2.565  11.384
  660    HG   LEU  84           HG       LEU  84  -3.936  -3.983  13.339
  661   HD11  LEU  84          1HD1      LEU  84  -2.953  -2.723  15.218
  662   HD12  LEU  84          2HD1      LEU  84  -3.838  -1.266  14.734
  663   HD13  LEU  84          3HD1      LEU  84  -4.714  -2.690  15.349
  664   HD21  LEU  84          3HD2      LEU  84  -5.467  -2.860  11.761
  665   HD22  LEU  84          1HD2      LEU  84  -6.144  -2.874  13.400
  666   HD23  LEU  84          2HD2      LEU  84  -5.417  -1.383  12.748
  667    H    LEU  85           H        LEU  85   0.182  -3.234  10.796
  668    HA   LEU  85           HA       LEU  85  -0.640  -5.959  10.084
  669    HB2  LEU  85           2HB      LEU  85   1.788  -4.360   9.229
  670    HB3  LEU  85           3HB      LEU  85   1.175  -5.803   8.441
  671    HG   LEU  85           HG       LEU  85  -0.313  -3.140   8.561
  672   HD11  LEU  85          1HD1      LEU  85   1.280  -4.418   6.303
  673   HD12  LEU  85          2HD1      LEU  85   0.337  -2.914   6.201
  674   HD13  LEU  85          3HD1      LEU  85   1.767  -2.989   7.242
  675   HD21  LEU  85          3HD2      LEU  85  -0.842  -5.591   6.883
  676   HD22  LEU  85          1HD2      LEU  85  -1.828  -5.057   8.265
  677   HD23  LEU  85          2HD2      LEU  85  -1.709  -4.048   6.812
  678    H    ALA  86           H        ALA  86   1.075  -7.726   9.947
  679    HA   ALA  86           HA       ALA  86   2.417  -8.228  12.429
  680    HB1  ALA  86           1HB      ALA  86   3.438 -10.123  11.136
  681    HB2  ALA  86           2HB      ALA  86   1.676 -10.051  11.012
  682    HB3  ALA  86           3HB      ALA  86   2.677  -9.477   9.662
  683    H    THR  87           H        THR  87   4.610  -8.195  12.967
  684    HA   THR  87           HA       THR  87   6.152  -5.994  12.227
  685    HB   THR  87           HB       THR  87   7.240  -8.624  13.269
  686    HG1  THR  87           1HG      THR  87   6.697  -7.807  15.305
  687   HG21  THR  87          1HG2      THR  87   8.797  -7.145  14.546
  688   HG22  THR  87          2HG2      THR  87   9.002  -6.950  12.801
  689   HG23  THR  87          3HG2      THR  87   8.105  -5.725  13.726
  690    H    GLU  88           H        GLU  88   6.340  -9.315  10.887
  691    HA   GLU  88           HA       GLU  88   8.653  -8.852   9.266
  692    HB2  GLU  88           2HB      GLU  88   8.070 -10.902   8.134
  693    HB3  GLU  88           3HB      GLU  88   7.887 -11.079   9.878
  694    HG2  GLU  88           2HG      GLU  88   5.401 -10.759   9.607
  695    HG3  GLU  88           3HG      GLU  88   5.631 -10.704   7.858
  696    H    ASP  89           H        ASP  89   5.227  -8.076   8.660
  697    HA   ASP  89           HA       ASP  89   5.758  -7.344   5.848
  698    HB2  ASP  89           2HB      ASP  89   3.339  -6.975   7.649
  699    HB3  ASP  89           3HB      ASP  89   3.441  -6.379   5.995
  700    H    LYS  90           H        LYS  90   5.323  -5.645   8.979
  701    HA   LYS  90           HA       LYS  90   5.592  -2.974   8.011
  702    HB2  LYS  90           2HB      LYS  90   6.255  -4.288  10.670
  703    HB3  LYS  90           3HB      LYS  90   6.463  -2.549  10.410
  704    HG2  LYS  90           2HG      LYS  90   4.193  -2.147  10.097
  705    HG3  LYS  90           3HG      LYS  90   3.843  -3.812   9.649
  706    HD2  LYS  90           2HD      LYS  90   2.855  -3.380  11.768
  707    HD3  LYS  90           3HD      LYS  90   4.156  -4.559  11.965
  708    HE2  LYS  90           2HE      LYS  90   5.638  -2.790  12.851
  709    HE3  LYS  90           3HE      LYS  90   4.371  -1.584  12.572
  710    HZ1  LYS  90           3HZ      LYS  90   4.140  -3.900  14.426
  711    HZ2  LYS  90           1HZ      LYS  90   4.347  -2.346  14.885
  712    HZ3  LYS  90           2HZ      LYS  90   2.954  -2.809  14.149
  713    H    GLU  91           H        GLU  91   8.147  -5.280   8.968
  714    HA   GLU  91           HA       GLU  91  10.326  -3.485   8.294
  715    HB2  GLU  91           2HB      GLU  91  10.177  -6.512   8.531
  716    HB3  GLU  91           3HB      GLU  91  11.668  -5.622   8.224
  717    HG2  GLU  91           2HG      GLU  91   9.909  -5.240  10.688
  718    HG3  GLU  91           3HG      GLU  91  11.341  -6.253  10.617
  719    H    ALA  92           H        ALA  92   8.751  -6.151   6.387
  720    HA   ALA  92           HA       ALA  92  10.446  -5.864   4.152
  721    HB1  ALA  92           1HB      ALA  92   7.593  -6.888   4.302
  722    HB2  ALA  92           2HB      ALA  92   8.740  -7.179   2.973
  723    HB3  ALA  92           3HB      ALA  92   9.081  -7.827   4.588
  724    H    LEU  93           H        LEU  93   7.404  -4.088   4.831
  725    HA   LEU  93           HA       LEU  93   7.191  -2.877   2.223
  726    HB2  LEU  93           2HB      LEU  93   6.145  -2.089   4.962
  727    HB3  LEU  93           3HB      LEU  93   5.688  -1.260   3.475
  728    HG   LEU  93           HG       LEU  93   5.182  -4.235   3.927
  729   HD11  LEU  93          1HD1      LEU  93   3.971  -2.875   5.589
  730   HD12  LEU  93          2HD1      LEU  93   3.308  -1.860   4.284
  731   HD13  LEU  93          3HD1      LEU  93   2.865  -3.579   4.402
  732   HD21  LEU  93          3HD2      LEU  93   3.600  -3.996   2.095
  733   HD22  LEU  93          1HD2      LEU  93   4.037  -2.283   1.916
  734   HD23  LEU  93          2HD2      LEU  93   5.233  -3.562   1.574
  735    H    LYS  94           H        LYS  94   8.875  -1.812   5.192
  736    HA   LYS  94           HA       LYS  94   9.896   0.665   4.076
  737    HB2  LYS  94           2HB      LYS  94  10.803  -1.064   6.409
  738    HB3  LYS  94           3HB      LYS  94  11.497   0.506   5.998
  739    HG2  LYS  94           2HG      LYS  94   9.329   1.614   6.374
  740    HG3  LYS  94           3HG      LYS  94   8.585   0.066   6.794
  741    HD2  LYS  94           2HD      LYS  94  10.877   1.412   8.296
  742    HD3  LYS  94           3HD      LYS  94   9.180   1.380   8.801
  743    HE2  LYS  94           2HE      LYS  94   9.252  -1.093   8.947
  744    HE3  LYS  94           3HE      LYS  94  10.938  -1.087   8.427
  745    HZ1  LYS  94           3HZ      LYS  94   9.922   0.064  10.960
  746    HZ2  LYS  94           1HZ      LYS  94  10.831  -1.299  10.767
  747    HZ3  LYS  94           2HZ      LYS  94  11.479   0.171  10.449
  748    H    LYS  95           H        LYS  95  11.193  -2.697   4.429
  749    HA   LYS  95           HA       LYS  95  13.817  -2.120   3.529
  750    HB2  LYS  95           2HB      LYS  95  12.118  -4.628   3.456
  751    HB3  LYS  95           3HB      LYS  95  13.740  -4.649   2.804
  752    HG2  LYS  95           2HG      LYS  95  13.159  -3.722   5.647
  753    HG3  LYS  95           3HG      LYS  95  13.444  -5.411   5.241
  754    HD2  LYS  95           2HD      LYS  95  15.431  -3.147   4.743
  755    HD3  LYS  95           3HD      LYS  95  15.440  -4.239   6.132
  756    HE2  LYS  95           2HE      LYS  95  15.680  -6.190   4.591
  757    HE3  LYS  95           3HE      LYS  95  15.755  -5.081   3.216
  758    HZ1  LYS  95           3HZ      LYS  95  17.763  -4.103   4.196
  759    HZ2  LYS  95           1HZ      LYS  95  17.697  -5.132   5.465
  760    HZ3  LYS  95           2HZ      LYS  95  17.976  -5.704   3.964
  761    H    GLN  96           H        GLN  96  10.976  -2.437   1.592
  762    HA   GLN  96           HA       GLN  96  12.447  -2.645  -0.961
  763    HB2  GLN  96           2HB      GLN  96   9.510  -2.598  -0.188
  764    HB3  GLN  96           3HB      GLN  96  10.079  -2.637  -1.858
  765    HG2  GLN  96           2HG      GLN  96  11.211  -4.756  -1.536
  766    HG3  GLN  96           3HG      GLN  96  10.872  -4.742   0.195
  767   HE21  GLN  96          2HE2      GLN  96   8.570  -4.831   0.874
  768   HE22  GLN  96          1HE2      GLN  96   7.418  -5.666  -0.183
  769    H    LEU  97           H        LEU  97  11.135  -0.063   1.021
  770    HA   LEU  97           HA       LEU  97  12.243   1.859  -0.897
  771    HB2  LEU  97           2HB      LEU  97  10.240   3.307  -0.910
  772    HB3  LEU  97           3HB      LEU  97  10.038   1.820  -1.800
  773    HG   LEU  97           HG       LEU  97   9.107   1.660   1.037
  774   HD11  LEU  97          1HD1      LEU  97   7.623   3.365  -0.998
  775   HD12  LEU  97          2HD1      LEU  97   7.016   2.851   0.592
  776   HD13  LEU  97          3HD1      LEU  97   8.404   3.947   0.491
  777   HD21  LEU  97          3HD2      LEU  97   7.761   0.987  -1.622
  778   HD22  LEU  97          1HD2      LEU  97   8.741  -0.146  -0.662
  779   HD23  LEU  97          2HD2      LEU  97   7.245   0.498   0.004
  780    HA   PRO  98           HA       PRO  98  12.448   2.320   3.696
  781    HB2  PRO  98           2HB      PRO  98  15.181   2.246   4.191
  782    HB3  PRO  98           3HB      PRO  98  14.112   0.826   4.057
  783    HG2  PRO  98           2HG      PRO  98  15.976   1.970   1.993
  784    HG3  PRO  98           3HG      PRO  98  15.569   0.251   2.331
  785    HD2  PRO  98           2HD      PRO  98  14.499   1.716   0.242
  786    HD3  PRO  98           3HD      PRO  98  13.704   0.323   1.022
  787    H    GLY  99           H        GLY  99  12.573   4.167   4.959
  788    HA2  GLY  99           2HA      GLY  99  13.211   6.656   3.614
  789    HA3  GLY  99           3HA      GLY  99  12.384   6.434   5.150
  790    H    VAL 100           H        VAL 100  13.610   8.315   5.609
  791    HA   VAL 100           HA       VAL 100  16.467   8.242   6.121
  792    HB   VAL 100           HB       VAL 100  14.326  10.121   7.200
  793   HG11  VAL 100          1HG1      VAL 100  17.376  10.350   7.211
  794   HG12  VAL 100          2HG1      VAL 100  16.253  11.672   7.608
  795   HG13  VAL 100          3HG1      VAL 100  16.316  10.240   8.636
  796   HG21  VAL 100          3HG2      VAL 100  16.269  10.388   4.858
  797   HG22  VAL 100          1HG2      VAL 100  14.502  10.237   4.750
  798   HG23  VAL 100          2HG2      VAL 100  15.210  11.680   5.467
  799    H    LYS 101           H        LYS 101  17.569   7.950   7.893
  800    HA   LYS 101           HA       LYS 101  16.466   5.929   9.643
  801    HB2  LYS 101           2HB      LYS 101  18.660   5.877   8.329
  802    HB3  LYS 101           3HB      LYS 101  19.350   6.892   9.608
  803    HG2  LYS 101           2HG      LYS 101  18.734   5.195  11.282
  804    HG3  LYS 101           3HG      LYS 101  17.883   4.261  10.029
  805    HD2  LYS 101           2HD      LYS 101  20.047   3.942   8.822
  806    HD3  LYS 101           3HD      LYS 101  20.890   4.762  10.157
  807    HE2  LYS 101           2HE      LYS 101  20.125   3.040  11.737
  808    HE3  LYS 101           3HE      LYS 101  19.130   2.287  10.487
  809    HZ1  LYS 101           3HZ      LYS 101  21.247   1.113  10.759
  810    HZ2  LYS 101           1HZ      LYS 101  21.148   1.742   9.260
  811    HZ3  LYS 101           2HZ      LYS 101  22.097   2.459  10.375
  812    H    SER 102           H        SER 102  15.000   7.370  10.722
  813    HA   SER 102           HA       SER 102  16.024   8.952  12.985
  814    HB2  SER 102           2HB      SER 102  13.616   9.335  13.436
  815    HB3  SER 102           3HB      SER 102  14.091   9.769  11.788
  816    HG   SER 102           HG       SER 102  12.143   8.580  11.803
  817    H    GLU 103           H        GLU 103  15.934   5.714  12.577
  818    HA   GLU 103           HA       GLU 103  15.701   5.117  15.434
  819    HB2  GLU 103           2HB      GLU 103  13.365   5.007  14.472
  820    HB3  GLU 103           3HB      GLU 103  13.909   3.766  13.352
  821    HG2  GLU 103           2HG      GLU 103  12.651   2.894  15.313
  822    HG3  GLU 103           3HG      GLU 103  14.254   2.193  15.163
  823    H    GLY 104           H        GLY 104  16.385   2.889  15.940
  824    HA2  GLY 104           2HA      GLY 104  17.314   0.821  15.563
  825    HA3  GLY 104           3HA      GLY 104  17.471   1.184  13.848
  826    H    LYS 105           H        LYS 105  19.079   3.690  14.737
  827    HA   LYS 105           HA       LYS 105  21.454   2.597  16.080
  828    HB2  LYS 105           2HB      LYS 105  21.819   2.003  13.663
  829    HB3  LYS 105           3HB      LYS 105  21.796   3.728  13.264
  830    HG2  LYS 105           2HG      LYS 105  23.767   4.099  14.717
  831    HG3  LYS 105           3HG      LYS 105  23.731   2.398  15.221
  832    HD2  LYS 105           2HD      LYS 105  24.178   1.700  12.880
  833    HD3  LYS 105           3HD      LYS 105  24.219   3.410  12.382
  834    HE2  LYS 105           2HE      LYS 105  26.102   3.818  13.950
  835    HE3  LYS 105           3HE      LYS 105  26.057   2.124  14.456
  836    HZ1  LYS 105           3HZ      LYS 105  26.624   1.493  12.169
  837    HZ2  LYS 105           1HZ      LYS 105  26.668   3.060  11.699
  838    HZ3  LYS 105           2HZ      LYS 105  27.761   2.495  12.769
  839    H    ARG 106           H        ARG 106  20.078   5.396  14.372
  840    HA   ARG 106           HA       ARG 106  21.269   7.246  16.406
  841    HB2  ARG 106           2HB      ARG 106  22.454   7.312  14.231
  842    HB3  ARG 106           3HB      ARG 106  20.938   7.691  13.406
  843    HG2  ARG 106           2HG      ARG 106  20.782   9.832  14.625
  844    HG3  ARG 106           3HG      ARG 106  22.243   9.431  15.553
  845    HD2  ARG 106           2HD      ARG 106  23.568   9.397  13.477
  846    HD3  ARG 106           3HD      ARG 106  22.130   9.731  12.515
  847    HE   ARG 106           HE       ARG 106  23.638  11.610  14.231
  848   HH11  ARG 106          1HH2      ARG 106  20.703  11.264  12.266
  849   HH12  ARG 106          2HH2      ARG 106  20.518  13.024  12.229
  850   HH21  ARG 106          1HH1      ARG 106  23.202  13.829  14.027
  851   HH22  ARG 106          2HH1      ARG 106  21.771  14.294  13.101
  852    H    LYS 107           H        LYS 107  20.020   8.797  17.212
  853    HA   LYS 107           HA       LYS 107  17.317   9.402  16.098
  854    HB2  LYS 107           2HB      LYS 107  17.845   8.832  19.049
  855    HB3  LYS 107           3HB      LYS 107  16.344   9.431  18.337
  856    HG2  LYS 107           2HG      LYS 107  16.363   7.262  16.906
  857    HG3  LYS 107           3HG      LYS 107  17.639   6.703  17.981
  858    HD2  LYS 107           2HD      LYS 107  15.595   5.793  18.818
  859    HD3  LYS 107           3HD      LYS 107  16.096   7.060  19.932
  860    HE2  LYS 107           2HE      LYS 107  13.735   7.272  19.638
  861    HE3  LYS 107           3HE      LYS 107  14.475   8.635  18.799
  862    HZ1  LYS 107           3HZ      LYS 107  14.179   7.369  16.694
  863    HZ2  LYS 107           1HZ      LYS 107  13.489   6.130  17.527
  864    HZ3  LYS 107           2HZ      LYS 107  12.744   7.583  17.454
  865    H    GLY 108           H        GLY 108  18.615  11.127  15.211
  866    HA2  GLY 108           2HA      GLY 108  20.151  12.931  16.807
  867    HA3  GLY 108           3HA      GLY 108  19.665  13.165  15.130
  868    H    ASP 109           H        ASP 109  16.740  12.895  16.454
  869    HA   ASP 109           HA       ASP 109  15.056  14.358  16.738
  870    HB2  ASP 109           2HB      ASP 109  16.048  14.206  19.022
  871    HB3  ASP 109           3HB      ASP 109  16.909  15.713  18.718
  872    H    GLU 110           H        GLU 110  16.423  14.856  14.476
  873    HA   GLU 110           HA       GLU 110  16.632  17.769  14.114
  874    HB2  GLU 110           2HB      GLU 110  17.094  15.417  12.239
  875    HB3  GLU 110           3HB      GLU 110  17.256  17.111  11.759
  876    HG2  GLU 110           2HG      GLU 110  19.006  17.470  13.454
  877    HG3  GLU 110           3HG      GLU 110  18.850  15.800  14.002
  878    H    VAL 111           H        VAL 111  15.593  18.714  12.115
  879    HA   VAL 111           HA       VAL 111  12.728  18.509  12.464
  880    HB   VAL 111           HB       VAL 111  12.602  20.488  11.020
  881   HG11  VAL 111          1HG1      VAL 111  13.023  20.711  13.440
  882   HG12  VAL 111          2HG1      VAL 111  14.773  20.732  13.137
  883   HG13  VAL 111          3HG1      VAL 111  13.742  22.026  12.499
  884   HG21  VAL 111          3HG2      VAL 111  15.645  20.305  10.804
  885   HG22  VAL 111          1HG2      VAL 111  14.504  19.997   9.477
  886   HG23  VAL 111          2HG2      VAL 111  14.604  21.608  10.201
  887    H    ASP 112           H        ASP 112  14.027  16.236  11.062
  888    HA   ASP 112           HA       ASP 112  12.900  16.202   8.331
  889    HB2  ASP 112           2HB      ASP 112  15.060  15.146   8.723
  890    HB3  ASP 112           3HB      ASP 112  14.373  14.110   9.970
  Start of MODEL   28
    1    H1   GLY   1           H1       GLY   1   2.018  25.926   9.196
    2    H2   GLY   1           H2       GLY   1   2.455  24.414   8.740
    3    H3   GLY   1           H3       GLY   1   3.411  25.270   9.757
    4    HA2  GLY   1           2HA      GLY   1   1.737  25.226  11.480
    5    HA3  GLY   1           3HA      GLY   1   0.688  24.318  10.376
    6    H    SER   2           H        SER   2   1.803  23.592  13.044
    7    HA   SER   2           HA       SER   2   3.851  21.605  12.751
    8    HB2  SER   2           2HB      SER   2   1.789  21.947  14.958
    9    HB3  SER   2           3HB      SER   2   3.282  20.993  15.052
   10    HG   SER   2           HG       SER   2   3.532  23.094  15.956
   11    H    LYS   3           H        LYS   3   3.740  19.352  13.021
   12    HA   LYS   3           HA       LYS   3   1.157  17.948  12.516
   13    HB2  LYS   3           2HB      LYS   3   2.324  18.287  10.351
   14    HB3  LYS   3           3HB      LYS   3   3.761  17.490  11.000
   15    HG2  LYS   3           2HG      LYS   3   2.448  15.382  11.276
   16    HG3  LYS   3           3HG      LYS   3   1.021  16.200  10.607
   17    HD2  LYS   3           2HD      LYS   3   2.218  16.557   8.463
   18    HD3  LYS   3           3HD      LYS   3   3.692  15.884   9.169
   19    HE2  LYS   3           2HE      LYS   3   2.842  14.124   7.893
   20    HE3  LYS   3           3HE      LYS   3   2.429  13.713   9.556
   21    HZ1  LYS   3           3HZ      LYS   3   0.557  13.327   8.138
   22    HZ2  LYS   3           1HZ      LYS   3   0.146  14.589   9.084
   23    HZ3  LYS   3           2HZ      LYS   3   0.578  14.849   7.521
   24    H    ALA   4           H        ALA   4   0.902  16.125  13.654
   25    HA   ALA   4           HA       ALA   4   3.175  14.705  14.885
   26    HB1  ALA   4           1HB      ALA   4   2.120  14.790  17.133
   27    HB2  ALA   4           2HB      ALA   4   2.558  16.411  16.568
   28    HB3  ALA   4           3HB      ALA   4   0.862  15.879  16.508
   29    H    GLU   5           H        GLU   5   2.471  13.410  13.061
   30    HA   GLU   5           HA       GLU   5   0.204  11.553  13.644
   31    HB2  GLU   5           2HB      GLU   5   0.744  13.144  11.115
   32    HB3  GLU   5           3HB      GLU   5  -0.381  11.776  11.194
   33    HG2  GLU   5           2HG      GLU   5  -1.710  13.004  12.918
   34    HG3  GLU   5           3HG      GLU   5  -0.638  14.401  12.724
   35    H    LYS   6           H        LYS   6   0.390   9.499  12.696
   36    HA   LYS   6           HA       LYS   6   3.113   8.641  12.027
   37    HB2  LYS   6           2HB      LYS   6   1.675   7.419  13.623
   38    HB3  LYS   6           3HB      LYS   6   0.521   7.073  12.340
   39    HG2  LYS   6           2HG      LYS   6   1.924   5.150  12.920
   40    HG3  LYS   6           3HG      LYS   6   2.101   5.593  11.230
   41    HD2  LYS   6           2HD      LYS   6   4.252   6.745  11.765
   42    HD3  LYS   6           3HD      LYS   6   4.078   6.292  13.461
   43    HE2  LYS   6           2HE      LYS   6   4.242   4.331  11.120
   44    HE3  LYS   6           3HE      LYS   6   5.635   4.875  12.058
   45    HZ1  LYS   6           3HZ      LYS   6   3.349   3.294  13.110
   46    HZ2  LYS   6           1HZ      LYS   6   4.898   2.807  12.968
   47    HZ3  LYS   6           2HZ      LYS   6   4.512   3.950  14.062
   48    H    THR   7           H        THR   7   0.561   9.755  10.122
   49    HA   THR   7           HA       THR   7   1.581   8.332   7.683
   50    HB   THR   7           HB       THR   7  -1.201   9.449   8.039
   51    HG1  THR   7           1HG      THR   7  -0.949   7.766   9.478
   52   HG21  THR   7          1HG2      THR   7  -0.152   8.860   5.646
   53   HG22  THR   7          2HG2      THR   7  -0.526   7.223   6.128
   54   HG23  THR   7          3HG2      THR   7  -1.797   8.470   6.050
   55    H    LEU   8           H        LEU   8   1.982   9.567   5.841
   56    HA   LEU   8           HA       LEU   8   2.325  12.424   6.211
   57    HB2  LEU   8           2HB      LEU   8   3.360  12.527   4.217
   58    HB3  LEU   8           3HB      LEU   8   3.693  10.874   4.689
   59    HG   LEU   8           HG       LEU   8   1.599  11.812   2.670
   60   HD11  LEU   8          1HD1      LEU   8   4.206  10.298   2.254
   61   HD12  LEU   8          2HD1      LEU   8   3.055  10.798   1.001
   62   HD13  LEU   8          3HD1      LEU   8   3.949  12.024   1.907
   63   HD21  LEU   8          3HD2      LEU   8   2.436   8.998   3.464
   64   HD22  LEU   8          1HD2      LEU   8   0.838   9.692   3.712
   65   HD23  LEU   8          2HD2      LEU   8   1.399   9.408   2.074
   66    H    GLY   9           H        GLY   9  -0.378  10.566   5.019
   67    HA2  GLY   9           2HA      GLY   9  -2.521  11.667   5.434
   68    HA3  GLY   9           3HA      GLY   9  -1.933  13.089   4.596
   69    H    ASP  10           H        ASP  10  -1.070  10.258   2.720
   70    HA   ASP  10           HA       ASP  10  -3.647  10.311   1.298
   71    HB2  ASP  10           2HB      ASP  10  -2.817  11.096  -0.769
   72    HB3  ASP  10           3HB      ASP  10  -2.401  12.273   0.458
   73    H    PHE  11           H        PHE  11  -1.505   8.198   2.489
   74    HA   PHE  11           HA       PHE  11  -2.698   6.232   0.721
   75    HB2  PHE  11           2HB      PHE  11  -0.471   4.983   0.433
   76    HB3  PHE  11           3HB      PHE  11  -0.946   6.250  -0.641
   77    HD1  PHE  11           HD1      PHE  11   1.110   6.081   2.573
   78    HD2  PHE  11           HD2      PHE  11   0.706   7.576  -1.457
   79    HE1  PHE  11           HE1      PHE  11   3.428   6.923   2.645
   80    HE2  PHE  11           HE2      PHE  11   2.998   8.503  -1.335
   81    HZ   PHE  11           HZ       PHE  11   4.375   8.155   0.709
   82    H    ALA  12           H        ALA  12  -2.671   4.068   1.441
   83    HA   ALA  12           HA       ALA  12  -2.581   3.814   4.410
   84    HB1  ALA  12           1HB      ALA  12  -4.941   3.194   2.594
   85    HB2  ALA  12           2HB      ALA  12  -4.895   3.031   4.358
   86    HB3  ALA  12           3HB      ALA  12  -4.804   4.639   3.603
   87    H    ALA  13           H        ALA  13  -2.719   1.686   5.236
   88    HA   ALA  13           HA       ALA  13  -2.228  -0.592   3.387
   89    HB1  ALA  13           1HB      ALA  13  -0.671   0.121   5.916
   90    HB2  ALA  13           2HB      ALA  13  -0.373  -1.264   4.830
   91    HB3  ALA  13           3HB      ALA  13  -0.113   0.398   4.256
   92    H    GLU  14           H        GLU  14  -3.145  -2.525   4.002
   93    HA   GLU  14           HA       GLU  14  -4.212  -2.994   6.704
   94    HB2  GLU  14           2HB      GLU  14  -5.947  -1.674   5.208
   95    HB3  GLU  14           3HB      GLU  14  -6.096  -3.193   4.325
   96    HG2  GLU  14           2HG      GLU  14  -6.755  -4.303   6.514
   97    HG3  GLU  14           3HG      GLU  14  -6.582  -2.744   7.306
   98    H    TYR  15           H        TYR  15  -5.100  -5.372   6.762
   99    HA   TYR  15           HA       TYR  15  -3.945  -7.159   4.690
  100    HB2  TYR  15           2HB      TYR  15  -5.971  -7.735   6.859
  101    HB3  TYR  15           3HB      TYR  15  -5.156  -8.914   5.840
  102    HD1  TYR  15           HD2      TYR  15  -2.287  -7.742   5.991
  103    HD2  TYR  15           HD1      TYR  15  -5.314  -8.492   8.985
  104    HE1  TYR  15           HE2      TYR  15  -0.515  -8.108   7.689
  105    HE2  TYR  15           HE1      TYR  15  -3.542  -8.817  10.686
  106    HH   TYR  15           HH       TYR  15  -1.324  -8.952  11.088
  107    H    ALA  16           H        ALA  16  -5.095  -8.194   3.120
  108    HA   ALA  16           HA       ALA  16  -7.421  -6.920   2.016
  109    HB1  ALA  16           1HB      ALA  16  -6.043  -9.529   1.437
  110    HB2  ALA  16           2HB      ALA  16  -7.284  -8.773   0.404
  111    HB3  ALA  16           3HB      ALA  16  -5.718  -7.968   0.661
  112    H    LYS  17           H        LYS  17  -8.995  -6.921   3.698
  113    HA   LYS  17           HA       LYS  17  -9.948  -9.298   5.013
  114    HB2  LYS  17           2HB      LYS  17 -11.434  -6.680   4.557
  115    HB3  LYS  17           3HB      LYS  17 -11.804  -7.904   5.774
  116    HG2  LYS  17           2HG      LYS  17  -9.548  -7.524   6.808
  117    HG3  LYS  17           3HG      LYS  17  -9.272  -6.213   5.662
  118    HD2  LYS  17           2HD      LYS  17 -11.396  -6.287   7.831
  119    HD3  LYS  17           3HD      LYS  17  -9.925  -5.306   7.777
  120    HE2  LYS  17           2HE      LYS  17 -10.937  -4.415   5.501
  121    HE3  LYS  17           3HE      LYS  17 -12.466  -5.032   6.150
  122    HZ1  LYS  17           3HZ      LYS  17 -12.205  -2.744   6.788
  123    HZ2  LYS  17           1HZ      LYS  17 -11.950  -3.603   8.159
  124    HZ3  LYS  17           2HZ      LYS  17 -10.678  -2.971   7.310
  125    H    SER  18           H        SER  18 -10.456  -8.219   1.831
  126    HA   SER  18           HA       SER  18 -12.420 -10.357   1.271
  127    HB2  SER  18           2HB      SER  18 -13.699  -8.775  -0.157
  128    HB3  SER  18           3HB      SER  18 -13.738  -8.317   1.552
  129    HG   SER  18           HG       SER  18 -13.309  -6.507   0.243
  130    H    ASN  19           H        ASN  19 -12.409 -11.024  -0.963
  131    HA   ASN  19           HA       ASN  19  -9.907 -10.473  -2.438
  132    HB2  ASN  19           2HB      ASN  19 -10.749 -12.804  -2.004
  133    HB3  ASN  19           3HB      ASN  19 -12.137 -12.458  -3.031
  134   HD21  ASN  19          2HD2      ASN  19  -8.731 -11.436  -3.764
  135   HD22  ASN  19          1HD2      ASN  19  -8.449 -12.740  -4.901
  136    H    ARG  20           H        ARG  20 -12.295  -8.587  -2.113
  137    HA   ARG  20           HA       ARG  20 -13.321  -8.180  -4.856
  138    HB2  ARG  20           2HB      ARG  20 -13.947  -6.878  -2.184
  139    HB3  ARG  20           3HB      ARG  20 -14.693  -6.428  -3.727
  140    HG2  ARG  20           2HG      ARG  20 -15.442  -8.826  -4.014
  141    HG3  ARG  20           3HG      ARG  20 -14.863  -9.156  -2.367
  142    HD2  ARG  20           2HD      ARG  20 -16.374  -7.382  -1.506
  143    HD3  ARG  20           3HD      ARG  20 -16.947  -7.094  -3.166
  144    HE   ARG  20           HE       ARG  20 -17.288  -9.856  -2.577
  145   HH11  ARG  20          1HH2      ARG  20 -18.718  -6.820  -1.574
  146   HH12  ARG  20          2HH2      ARG  20 -20.248  -7.562  -1.189
  147   HH21  ARG  20          1HH1      ARG  20 -19.262 -10.739  -2.064
  148   HH22  ARG  20          2HH1      ARG  20 -20.540  -9.724  -1.463
  149    H    SER  21           H        SER  21 -10.878  -6.760  -2.787
  150    HA   SER  21           HA       SER  21 -10.478  -4.306  -4.248
  151    HB2  SER  21           2HB      SER  21  -8.516  -6.033  -2.687
  152    HB3  SER  21           3HB      SER  21  -8.178  -4.397  -3.289
  153    HG   SER  21           HG       SER  21  -9.861  -3.627  -1.974
  154    H    THR  22           H        THR  22  -9.109  -3.844  -5.985
  155    HA   THR  22           HA       THR  22  -7.749  -6.103  -7.388
  156    HB   THR  22           HB       THR  22  -9.344  -3.929  -8.741
  157    HG1  THR  22           1HG      THR  22 -10.688  -5.511  -7.857
  158   HG21  THR  22          1HG2      THR  22  -7.442  -4.661 -10.145
  159   HG22  THR  22          2HG2      THR  22  -7.968  -6.353  -9.956
  160   HG23  THR  22          3HG2      THR  22  -8.986  -5.189 -10.820
  161    H    CYS  23           HN       CYS  23  -5.768  -5.646  -8.103
  162    HA   CYS  23           HA       CYS  23  -4.501  -3.265  -7.065
  163    HB2  CYS  23           2HB      CYS  23  -3.412  -5.357  -6.822
  164    HB3  CYS  23           3HB      CYS  23  -3.672  -5.753  -8.520
  165    H    LYS  24           H        LYS  24  -4.660  -1.396  -8.159
  166    HA   LYS  24           HA       LYS  24  -4.888  -1.225 -11.080
  167    HB2  LYS  24           2HB      LYS  24  -4.660   0.713  -8.764
  168    HB3  LYS  24           3HB      LYS  24  -4.397   1.284 -10.415
  169    HG2  LYS  24           2HG      LYS  24  -6.695   1.625  -9.864
  170    HG3  LYS  24           3HG      LYS  24  -6.581   0.422 -11.126
  171    HD2  LYS  24           2HD      LYS  24  -7.166  -1.355  -9.568
  172    HD3  LYS  24           3HD      LYS  24  -6.927  -0.281  -8.185
  173    HE2  LYS  24           2HE      LYS  24  -9.282  -0.566  -8.506
  174    HE3  LYS  24           3HE      LYS  24  -8.858   1.098  -8.902
  175    HZ1  LYS  24           3HZ      LYS  24  -8.960   0.490 -11.268
  176    HZ2  LYS  24           1HZ      LYS  24  -9.339  -1.064 -10.893
  177    HZ3  LYS  24           2HZ      LYS  24 -10.373   0.141 -10.539
  178    H    GLY  25           H        GLY  25  -2.293  -1.863  -9.070
  179    HA2  GLY  25           2HA      GLY  25  -0.144  -0.618 -10.591
  180    HA3  GLY  25           3HA      GLY  25  -0.001  -1.899  -9.384
  181    H    CYS  26           HN       CYS  26  -1.796  -3.755 -10.825
  182    HA   CYS  26           HA       CYS  26  -0.416  -4.182 -13.409
  183    HB2  CYS  26           2HB      CYS  26   0.114  -6.472 -12.978
  184    HB3  CYS  26           3HB      CYS  26   0.844  -5.473 -11.723
  185    H    MET  27           H        MET  27  -3.367  -4.071 -11.891
  186    HA   MET  27           HA       MET  27  -5.440  -4.525 -12.386
  187    HB2  MET  27           2HB      MET  27  -4.734  -3.434 -14.558
  188    HB3  MET  27           3HB      MET  27  -4.721  -5.041 -15.274
  189    HG2  MET  27           2HG      MET  27  -6.820  -3.743 -15.636
  190    HG3  MET  27           3HG      MET  27  -7.076  -5.317 -14.898
  191    HE1  MET  27           3HE      MET  27  -6.691  -1.437 -14.050
  192    HE2  MET  27           1HE      MET  27  -7.250  -1.429 -12.361
  193    HE3  MET  27           2HE      MET  27  -5.740  -2.253 -12.784
  194    H    GLU  28           H        GLU  28  -4.566  -6.358 -10.962
  195    HA   GLU  28           HA       GLU  28  -6.109  -8.726 -11.834
  196    HB2  GLU  28           2HB      GLU  28  -3.308  -8.942 -10.646
  197    HB3  GLU  28           3HB      GLU  28  -4.483 -10.254 -10.736
  198    HG2  GLU  28           2HG      GLU  28  -4.554  -9.931 -13.249
  199    HG3  GLU  28           3HG      GLU  28  -3.202  -8.804 -13.085
  200    H    LYS  29           H        LYS  29  -6.967  -9.931 -10.009
  201    HA   LYS  29           HA       LYS  29  -7.889  -8.078  -8.019
  202    HB2  LYS  29           2HB      LYS  29  -9.192  -9.888  -7.110
  203    HB3  LYS  29           3HB      LYS  29  -9.366  -9.798  -8.862
  204    HG2  LYS  29           2HG      LYS  29  -7.857 -11.724  -9.155
  205    HG3  LYS  29           3HG      LYS  29  -7.549 -11.772  -7.406
  206    HD2  LYS  29           2HD      LYS  29 -10.005 -12.130  -7.025
  207    HD3  LYS  29           3HD      LYS  29 -10.220 -12.287  -8.779
  208    HE2  LYS  29           2HE      LYS  29  -8.762 -14.231  -8.850
  209    HE3  LYS  29           3HE      LYS  29  -8.252 -13.975  -7.176
  210    HZ1  LYS  29           3HZ      LYS  29 -10.509 -14.441  -6.450
  211    HZ2  LYS  29           1HZ      LYS  29 -11.014 -14.696  -7.992
  212    HZ3  LYS  29           2HZ      LYS  29  -9.932 -15.711  -7.306
  213    H    ILE  30           H        ILE  30  -7.486  -7.862  -5.903
  214    HA   ILE  30           HA       ILE  30  -4.921  -8.904  -4.914
  215    HB   ILE  30           HB       ILE  30  -6.918  -6.890  -3.906
  216   HG12  ILE  30          2HG1      ILE  30  -3.965  -6.551  -4.579
  217   HG13  ILE  30          3HG1      ILE  30  -5.204  -6.465  -5.821
  218   HG21  ILE  30          1HG2      ILE  30  -4.351  -7.713  -2.494
  219   HG22  ILE  30          2HG2      ILE  30  -5.433  -6.377  -2.052
  220   HG23  ILE  30          3HG2      ILE  30  -6.001  -8.032  -1.896
  221   HD11  ILE  30          3HD1      ILE  30  -6.285  -4.588  -4.683
  222   HD12  ILE  30          1HD1      ILE  30  -5.026  -4.617  -3.416
  223   HD13  ILE  30          2HD1      ILE  30  -4.602  -4.252  -5.097
  224    H    GLU  31           H        GLU  31  -4.613 -10.547  -3.564
  225    HA   GLU  31           HA       GLU  31  -6.819 -12.364  -3.119
  226    HB2  GLU  31           2HB      GLU  31  -3.886 -12.543  -2.386
  227    HB3  GLU  31           3HB      GLU  31  -5.055 -13.853  -2.206
  228    HG2  GLU  31           2HG      GLU  31  -4.302 -12.531  -4.848
  229    HG3  GLU  31           3HG      GLU  31  -3.625 -14.022  -4.218
  230    H    LYS  32           H        LYS  32  -7.841 -12.921  -1.333
  231    HA   LYS  32           HA       LYS  32  -7.885 -11.207   0.956
  232    HB2  LYS  32           2HB      LYS  32  -9.781 -12.639   0.144
  233    HB3  LYS  32           3HB      LYS  32  -8.922 -14.061   0.752
  234    HG2  LYS  32           2HG      LYS  32  -8.987 -13.028   3.064
  235    HG3  LYS  32           3HG      LYS  32  -9.929 -11.682   2.385
  236    HD2  LYS  32           2HD      LYS  32 -11.692 -13.268   1.704
  237    HD3  LYS  32           3HD      LYS  32 -10.725 -14.613   2.359
  238    HE2  LYS  32           2HE      LYS  32 -10.816 -13.576   4.615
  239    HE3  LYS  32           3HE      LYS  32 -11.787 -12.248   3.971
  240    HZ1  LYS  32           3HZ      LYS  32 -12.620 -15.102   4.001
  241    HZ2  LYS  32           1HZ      LYS  32 -13.184 -13.942   5.001
  242    HZ3  LYS  32           2HZ      LYS  32 -13.518 -13.872   3.406
  243    H    GLY  33           H        GLY  33  -7.064 -11.393   2.973
  244    HA2  GLY  33           2HA      GLY  33  -5.805 -12.129   4.757
  245    HA3  GLY  33           3HA      GLY  33  -5.633 -13.693   3.968
  246    H    GLN  34           H        GLN  34  -4.381 -11.166   1.948
  247    HA   GLN  34           HA       GLN  34  -1.749 -11.161   3.312
  248    HB2  GLN  34           2HB      GLN  34  -0.565 -11.140   1.205
  249    HB3  GLN  34           3HB      GLN  34  -1.444 -12.629   1.470
  250    HG2  GLN  34           2HG      GLN  34  -1.637 -12.129  -0.856
  251    HG3  GLN  34           3HG      GLN  34  -3.212 -11.846  -0.152
  252   HE21  GLN  34          2HE2      GLN  34  -4.104  -9.763  -0.475
  253   HE22  GLN  34          1HE2      GLN  34  -3.089  -8.347  -0.499
  254    H    VAL  35           H        VAL  35  -0.489  -9.091   2.727
  255    HA   VAL  35           HA       VAL  35  -2.109  -6.907   3.535
  256    HB   VAL  35           HB       VAL  35   0.696  -7.010   2.410
  257   HG11  VAL  35          1HG1      VAL  35  -0.707  -4.609   3.665
  258   HG12  VAL  35          2HG1      VAL  35   1.039  -4.746   3.374
  259   HG13  VAL  35          3HG1      VAL  35  -0.069  -4.715   2.009
  260   HG21  VAL  35          3HG2      VAL  35   0.313  -8.094   4.621
  261   HG22  VAL  35          1HG2      VAL  35   1.341  -6.665   4.736
  262   HG23  VAL  35          2HG2      VAL  35  -0.359  -6.564   5.232
  263    H    ARG  36           H        ARG  36  -2.883  -5.053   2.557
  264    HA   ARG  36           HA       ARG  36  -2.606  -4.721  -0.372
  265    HB2  ARG  36           2HB      ARG  36  -4.916  -4.103  -0.682
  266    HB3  ARG  36           3HB      ARG  36  -4.768  -5.765  -0.103
  267    HG2  ARG  36           2HG      ARG  36  -5.536  -5.179   2.095
  268    HG3  ARG  36           3HG      ARG  36  -5.532  -3.461   1.724
  269    HD2  ARG  36           2HD      ARG  36  -7.293  -3.765   0.031
  270    HD3  ARG  36           3HD      ARG  36  -7.255  -5.513   0.278
  271    HE   ARG  36           HE       ARG  36  -7.811  -3.947   2.710
  272   HH11  ARG  36          1HH2      ARG  36  -9.509  -5.330  -0.047
  273   HH12  ARG  36          2HH2      ARG  36 -10.878  -5.778   0.915
  274   HH21  ARG  36          1HH1      ARG  36  -9.640  -4.151   3.718
  275   HH22  ARG  36          2HH1      ARG  36 -11.049  -4.888   2.949
  276    H    LEU  37           H        LEU  37  -2.166  -2.696  -0.987
  277    HA   LEU  37           HA       LEU  37  -2.262  -0.532   1.066
  278    HB2  LEU  37           2HB      LEU  37  -0.387  -0.599  -1.312
  279    HB3  LEU  37           3HB      LEU  37  -0.418   0.498   0.100
  280    HG   LEU  37           HG       LEU  37   1.469  -0.713   0.375
  281   HD11  LEU  37          1HD1      LEU  37  -0.486  -2.204   2.138
  282   HD12  LEU  37          2HD1      LEU  37   1.228  -1.852   2.443
  283   HD13  LEU  37          3HD1      LEU  37   0.049  -0.528   2.349
  284   HD21  LEU  37          3HD2      LEU  37   0.021  -3.380   0.026
  285   HD22  LEU  37          1HD2      LEU  37   0.987  -2.582  -1.227
  286   HD23  LEU  37          2HD2      LEU  37   1.748  -3.098   0.293
  287    H    SER  38           H        SER  38  -2.855   1.593   0.316
  288    HA   SER  38           HA       SER  38  -3.778   1.804  -2.460
  289    HB2  SER  38           2HB      SER  38  -5.957   2.797  -1.810
  290    HB3  SER  38           3HB      SER  38  -5.808   1.102  -1.356
  291    HG   SER  38           HG       SER  38  -6.614   2.143   0.412
  292    H    LYS  39           H        LYS  39  -4.185   3.919  -3.215
  293    HA   LYS  39           HA       LYS  39  -3.048   6.134  -1.540
  294    HB2  LYS  39           2HB      LYS  39  -1.498   5.859  -3.298
  295    HB3  LYS  39           3HB      LYS  39  -2.766   5.679  -4.525
  296    HG2  LYS  39           2HG      LYS  39  -3.359   7.963  -4.454
  297    HG3  LYS  39           3HG      LYS  39  -2.550   8.218  -2.898
  298    HD2  LYS  39           2HD      LYS  39  -0.379   8.098  -3.883
  299    HD3  LYS  39           3HD      LYS  39  -1.050   7.627  -5.457
  300    HE2  LYS  39           2HE      LYS  39  -0.382  10.020  -5.350
  301    HE3  LYS  39           3HE      LYS  39  -2.076   9.775  -5.779
  302    HZ1  LYS  39           3HZ      LYS  39  -1.132  10.467  -3.036
  303    HZ2  LYS  39           1HZ      LYS  39  -1.729  11.550  -4.105
  304    HZ3  LYS  39           2HZ      LYS  39  -2.700  10.374  -3.510
  305    H    LYS  40           H        LYS  40  -4.214   7.890  -1.233
  306    HA   LYS  40           HA       LYS  40  -6.961   8.095  -2.309
  307    HB2  LYS  40           2HB      LYS  40  -6.726   8.433   0.016
  308    HB3  LYS  40           3HB      LYS  40  -5.456   9.618  -0.182
  309    HG2  LYS  40           2HG      LYS  40  -8.218  10.088  -1.401
  310    HG3  LYS  40           3HG      LYS  40  -7.976  10.304   0.322
  311    HD2  LYS  40           2HD      LYS  40  -6.655  11.862  -1.913
  312    HD3  LYS  40           3HD      LYS  40  -7.809  12.446  -0.727
  313    HE2  LYS  40           2HE      LYS  40  -4.936  11.594  -0.176
  314    HE3  LYS  40           3HE      LYS  40  -5.511  13.248  -0.305
  315    HZ1  LYS  40           3HZ      LYS  40  -5.302  12.454   2.024
  316    HZ2  LYS  40           1HZ      LYS  40  -6.821  12.960   1.675
  317    HZ3  LYS  40           2HZ      LYS  40  -6.487  11.363   1.777
  318    H    MET  41           H        MET  41  -7.231   8.968  -4.207
  319    HA   MET  41           HA       MET  41  -6.203  11.594  -4.916
  320    HB2  MET  41           2HB      MET  41  -5.039  10.962  -6.974
  321    HB3  MET  41           3HB      MET  41  -4.222  10.322  -5.558
  322    HG2  MET  41           2HG      MET  41  -5.335   8.097  -5.984
  323    HG3  MET  41           3HG      MET  41  -5.997   8.773  -7.477
  324    HE1  MET  41           3HE      MET  41  -5.025   6.907  -8.940
  325    HE2  MET  41           1HE      MET  41  -3.354   6.308  -8.825
  326    HE3  MET  41           2HE      MET  41  -4.463   6.137  -7.438
  327    H    VAL  42           H        VAL  42  -7.488  12.574  -6.598
  328    HA   VAL  42           HA       VAL  42  -9.861  11.424  -7.476
  329    HB   VAL  42           HB       VAL  42  -8.127  13.387  -9.025
  330   HG11  VAL  42          1HG1      VAL  42 -11.096  12.716  -9.286
  331   HG12  VAL  42          2HG1      VAL  42 -10.288  14.086 -10.077
  332   HG13  VAL  42          3HG1      VAL  42  -9.835  12.439 -10.506
  333   HG21  VAL  42          3HG2      VAL  42  -8.691  14.281  -6.805
  334   HG22  VAL  42          1HG2      VAL  42  -9.601  15.124  -8.056
  335   HG23  VAL  42          2HG2      VAL  42 -10.406  13.892  -7.066
  336    H    ASP  43           H        ASP  43 -10.437   9.926  -8.969
  337    HA   ASP  43           HA       ASP  43  -8.417   8.230 -10.102
  338    HB2  ASP  43           2HB      ASP  43 -10.772   7.590  -9.356
  339    HB3  ASP  43           3HB      ASP  43 -11.354   8.289 -10.856
  340    HA   PRO  44           HA       PRO  44  -7.946  10.803 -13.743
  341    HB2  PRO  44           2HB      PRO  44  -5.937   9.443 -15.043
  342    HB3  PRO  44           3HB      PRO  44  -5.658  10.342 -13.519
  343    HG2  PRO  44           2HG      PRO  44  -6.224   7.367 -13.838
  344    HG3  PRO  44           3HG      PRO  44  -4.894   8.144 -12.913
  345    HD2  PRO  44           2HD      PRO  44  -7.192   7.325 -11.733
  346    HD3  PRO  44           3HD      PRO  44  -6.358   8.822 -11.209
  347    H    GLU  45           H        GLU  45  -9.119   7.553 -13.795
  348    HA   GLU  45           HA       GLU  45  -9.808   7.638 -16.702
  349    HB2  GLU  45           2HB      GLU  45 -10.147   5.433 -14.633
  350    HB3  GLU  45           3HB      GLU  45 -10.544   5.319 -16.342
  351    HG2  GLU  45           2HG      GLU  45  -8.227   5.516 -16.996
  352    HG3  GLU  45           3HG      GLU  45  -7.719   5.921 -15.357
  353    H    LYS  46           H        LYS  46 -11.103   8.244 -13.549
  354    HA   LYS  46           HA       LYS  46 -13.754   8.958 -14.683
  355    HB2  LYS  46           2HB      LYS  46 -13.285   7.064 -12.349
  356    HB3  LYS  46           3HB      LYS  46 -14.816   7.917 -12.613
  357    HG2  LYS  46           2HG      LYS  46 -15.021   6.865 -14.847
  358    HG3  LYS  46           3HG      LYS  46 -13.574   5.893 -14.517
  359    HD2  LYS  46           2HD      LYS  46 -16.011   5.936 -12.695
  360    HD3  LYS  46           3HD      LYS  46 -15.829   4.795 -14.047
  361    HE2  LYS  46           2HE      LYS  46 -13.702   3.963 -13.053
  362    HE3  LYS  46           3HE      LYS  46 -13.918   5.054 -11.681
  363    HZ1  LYS  46           3HZ      LYS  46 -14.742   2.828 -11.169
  364    HZ2  LYS  46           1HZ      LYS  46 -16.002   3.867 -11.168
  365    HZ3  LYS  46           2HZ      LYS  46 -15.774   2.854 -12.430
  366    HA   PRO  47           HA       PRO  47 -11.711  11.953 -11.783
  367    HB2  PRO  47           2HB      PRO  47 -12.485  14.007 -13.818
  368    HB3  PRO  47           3HB      PRO  47 -10.930  13.785 -12.941
  369    HG2  PRO  47           2HG      PRO  47 -11.154  13.069 -15.549
  370    HG3  PRO  47           3HG      PRO  47 -10.240  12.056 -14.384
  371    HD2  PRO  47           2HD      PRO  47 -13.089  11.686 -15.353
  372    HD3  PRO  47           3HD      PRO  47 -11.767  10.493 -15.251
  373    H    GLN  48           H        GLN  48 -14.866  11.846 -13.189
  374    HA   GLN  48           HA       GLN  48 -16.216  13.857 -11.646
  375    HB2  GLN  48           2HB      GLN  48 -17.222  11.314 -12.990
  376    HB3  GLN  48           3HB      GLN  48 -18.260  12.568 -12.294
  377    HG2  GLN  48           2HG      GLN  48 -17.287  14.248 -13.849
  378    HG3  GLN  48           3HG      GLN  48 -16.304  12.988 -14.598
  379   HE21  GLN  48          2HE2      GLN  48 -17.773  14.238 -16.397
  380   HE22  GLN  48          1HE2      GLN  48 -19.211  13.317 -16.819
  381    H    LEU  49           H        LEU  49 -15.066  10.660 -10.694
  382    HA   LEU  49           HA       LEU  49 -16.736  10.205  -8.403
  383    HB2  LEU  49           2HB      LEU  49 -13.837   9.614  -9.143
  384    HB3  LEU  49           3HB      LEU  49 -14.466   9.139  -7.586
  385    HG   LEU  49           HG       LEU  49 -15.770   8.198 -10.165
  386   HD11  LEU  49          1HD1      LEU  49 -14.469   6.101  -9.730
  387   HD12  LEU  49          2HD1      LEU  49 -13.436   7.498 -10.116
  388   HD13  LEU  49          3HD1      LEU  49 -13.582   6.962  -8.444
  389   HD21  LEU  49          3HD2      LEU  49 -15.822   7.246  -7.258
  390   HD22  LEU  49          1HD2      LEU  49 -17.157   8.042  -8.111
  391   HD23  LEU  49          2HD2      LEU  49 -16.629   6.430  -8.621
  392    H    GLY  50           H        GLY  50 -14.102  12.502  -8.910
  393    HA2  GLY  50           2HA      GLY  50 -12.799  13.740  -7.430
  394    HA3  GLY  50           3HA      GLY  50 -13.903  13.348  -6.108
  395    H    MET  51           H        MET  51 -12.171  12.791  -4.779
  396    HA   MET  51           HA       MET  51 -10.035  11.092  -5.420
  397    HB2  MET  51           2HB      MET  51 -10.811  11.764  -2.591
  398    HB3  MET  51           3HB      MET  51  -9.214  11.539  -3.304
  399    HG2  MET  51           2HG      MET  51  -9.890  13.679  -4.733
  400    HG3  MET  51           3HG      MET  51 -11.084  13.909  -3.459
  401    HE1  MET  51           3HE      MET  51  -7.584  14.687  -4.687
  402    HE2  MET  51           1HE      MET  51  -6.533  14.330  -3.294
  403    HE3  MET  51           2HE      MET  51  -7.442  13.022  -4.103
  404    H    ILE  52           H        ILE  52  -9.711   8.969  -5.206
  405    HA   ILE  52           HA       ILE  52 -11.535   7.384  -3.495
  406    HB   ILE  52           HB       ILE  52 -11.229   5.485  -5.195
  407   HG12  ILE  52          2HG1      ILE  52 -11.165   6.180  -7.572
  408   HG13  ILE  52          3HG1      ILE  52 -10.640   7.796  -7.102
  409   HG21  ILE  52          1HG2      ILE  52 -13.183   6.119  -6.393
  410   HG22  ILE  52          2HG2      ILE  52 -13.324   6.729  -4.736
  411   HG23  ILE  52          3HG2      ILE  52 -12.906   7.851  -6.064
  412   HD11  ILE  52          3HD1      ILE  52  -8.510   6.878  -6.296
  413   HD12  ILE  52          1HD1      ILE  52  -9.108   5.218  -6.578
  414   HD13  ILE  52          2HD1      ILE  52  -8.824   6.330  -7.936
  415    H    ASP  53           H        ASP  53 -10.687   5.335  -2.811
  416    HA   ASP  53           HA       ASP  53  -7.795   5.466  -2.142
  417    HB2  ASP  53           2HB      ASP  53 -10.052   3.727  -1.076
  418    HB3  ASP  53           3HB      ASP  53  -8.365   3.606  -0.586
  419    H    ARG  54           H        ARG  54  -6.995   4.958  -4.193
  420    HA   ARG  54           HA       ARG  54  -7.905   2.669  -5.756
  421    HB2  ARG  54           2HB      ARG  54  -6.783   4.969  -6.455
  422    HB3  ARG  54           3HB      ARG  54  -5.277   4.113  -6.203
  423    HG2  ARG  54           2HG      ARG  54  -5.446   2.956  -8.111
  424    HG3  ARG  54           3HG      ARG  54  -7.128   2.532  -7.845
  425    HD2  ARG  54           2HD      ARG  54  -7.972   4.292  -9.046
  426    HD3  ARG  54           3HD      ARG  54  -6.698   5.399  -8.574
  427    HE   ARG  54           HE       ARG  54  -5.158   4.131 -10.134
  428   HH11  ARG  54          1HH2      ARG  54  -8.599   4.490 -11.061
  429   HH12  ARG  54          2HH2      ARG  54  -8.174   3.957 -12.683
  430   HH21  ARG  54          1HH1      ARG  54  -4.903   3.624 -12.316
  431   HH22  ARG  54          2HH1      ARG  54  -6.358   3.572 -13.313
  432    H    TRP  55           H        TRP  55  -7.335   0.563  -5.394
  433    HA   TRP  55           HA       TRP  55  -5.252  -0.005  -3.424
  434    HB2  TRP  55           2HB      TRP  55  -7.263  -1.813  -4.773
  435    HB3  TRP  55           3HB      TRP  55  -6.113  -2.321  -3.546
  436    HD1  TRP  55           HD1      TRP  55  -9.453  -0.673  -3.926
  437    HE1  TRP  55           HE1      TRP  55 -10.466  -0.144  -1.638
  438    HE3  TRP  55           HE3      TRP  55  -5.366  -1.624  -0.971
  439    HZ2  TRP  55           HZ2      TRP  55  -9.615  -0.077   1.115
  440    HZ3  TRP  55           HZ3      TRP  55  -5.467  -1.183   1.470
  441    HH2  TRP  55           HH2      TRP  55  -7.587  -0.449   2.529
  442    H    TYR  56           H        TYR  56  -3.640  -1.496  -3.573
  443    HA   TYR  56           HA       TYR  56  -2.539  -2.472  -6.132
  444    HB2  TYR  56           2HB      TYR  56  -1.080  -0.776  -4.057
  445    HB3  TYR  56           3HB      TYR  56  -0.351  -1.515  -5.476
  446    HD1  TYR  56           HD2      TYR  56  -0.837  -0.661  -7.731
  447    HD2  TYR  56           HD1      TYR  56  -2.424   1.284  -4.252
  448    HE1  TYR  56           HE2      TYR  56  -1.441   1.327  -9.127
  449    HE2  TYR  56           HE1      TYR  56  -3.049   3.254  -5.631
  450    HH   TYR  56           HH       TYR  56  -3.042   4.191  -7.716
  451    H    HIS  57           H        HIS  57  -1.019  -4.150  -5.849
  452    HA   HIS  57           HA       HIS  57  -1.233  -5.945  -3.520
  453    HB2  HIS  57           2HB      HIS  57   0.591  -5.996  -5.935
  454    HB3  HIS  57           3HB      HIS  57   0.649  -7.190  -4.670
  455    HD2  HIS  57           HD2      HIS  57  -1.869  -8.498  -4.188
  456    HE1  HIS  57           HE1      HIS  57  -2.873  -8.408  -8.318
  457    HE2  HIS  57           HE2      HIS  57  -3.382  -9.519  -6.113
  458    HA   PRO  58           HA       PRO  58   2.457  -4.423  -1.308
  459    HB2  PRO  58           2HB      PRO  58   3.237  -7.318  -1.011
  460    HB3  PRO  58           3HB      PRO  58   3.121  -6.042   0.245
  461    HG2  PRO  58           2HG      PRO  58   1.157  -7.879   0.036
  462    HG3  PRO  58           3HG      PRO  58   0.732  -6.141   0.219
  463    HD2  PRO  58           2HD      PRO  58   0.873  -7.755  -2.345
  464    HD3  PRO  58           3HD      PRO  58  -0.456  -6.723  -1.739
  465    H    GLY  59           H        GLY  59   2.946  -6.641  -3.992
  466    HA2  GLY  59           2HA      GLY  59   5.809  -5.969  -4.304
  467    HA3  GLY  59           3HA      GLY  59   4.806  -6.919  -5.406
  468    H    CYS  60           HN       CYS  60   2.714  -5.183  -5.967
  469    HA   CYS  60           HA       CYS  60   3.939  -3.674  -8.012
  470    HB2  CYS  60           2HB      CYS  60   1.042  -3.652  -7.099
  471    HB3  CYS  60           3HB      CYS  60   1.658  -3.222  -8.701
  472    H    PHE  61           H        PHE  61   2.364  -2.580  -4.952
  473    HA   PHE  61           HA       PHE  61   2.273   0.163  -5.692
  474    HB2  PHE  61           2HB      PHE  61   1.512   0.563  -3.639
  475    HB3  PHE  61           3HB      PHE  61   1.324  -1.181  -3.586
  476    HD1  PHE  61           HD1      PHE  61   3.221  -2.560  -2.550
  477    HD2  PHE  61           HD2      PHE  61   2.926   1.703  -2.128
  478    HE1  PHE  61           HE1      PHE  61   4.672  -2.675  -0.527
  479    HE2  PHE  61           HE2      PHE  61   4.379   1.605  -0.094
  480    HZ   PHE  61           HZ       PHE  61   5.225  -0.589   0.719
  481    H    VAL  62           H        VAL  62   4.952  -1.748  -4.354
  482    HA   VAL  62           HA       VAL  62   6.912   0.303  -4.097
  483    HB   VAL  62           HB       VAL  62   7.483  -2.523  -5.040
  484   HG11  VAL  62          1HG1      VAL  62   9.136  -0.582  -3.372
  485   HG12  VAL  62          2HG1      VAL  62   9.599  -2.230  -3.847
  486   HG13  VAL  62          3HG1      VAL  62   9.425  -0.988  -5.078
  487   HG21  VAL  62          3HG2      VAL  62   6.058  -2.702  -3.056
  488   HG22  VAL  62          1HG2      VAL  62   7.705  -3.156  -2.670
  489   HG23  VAL  62          2HG2      VAL  62   7.087  -1.561  -2.178
  490    H    LYS  63           H        LYS  63   5.934  -1.567  -6.986
  491    HA   LYS  63           HA       LYS  63   8.005  -0.647  -8.728
  492    HB2  LYS  63           2HB      LYS  63   6.691  -2.672  -9.129
  493    HB3  LYS  63           3HB      LYS  63   5.211  -1.726  -9.273
  494    HG2  LYS  63           2HG      LYS  63   6.035  -0.658 -11.333
  495    HG3  LYS  63           3HG      LYS  63   7.554  -1.549 -11.187
  496    HD2  LYS  63           2HD      LYS  63   6.070  -2.612 -12.821
  497    HD3  LYS  63           3HD      LYS  63   6.377  -3.676 -11.456
  498    HE2  LYS  63           2HE      LYS  63   4.064  -3.859 -12.123
  499    HE3  LYS  63           3HE      LYS  63   4.146  -3.165 -10.506
  500    HZ1  LYS  63           3HZ      LYS  63   3.613  -1.009 -11.412
  501    HZ2  LYS  63           1HZ      LYS  63   3.806  -1.525 -12.965
  502    HZ3  LYS  63           2HZ      LYS  63   2.555  -2.060 -12.064
  503    H    ASN  64           H        ASN  64   4.882   0.793  -7.922
  504    HA   ASN  64           HA       ASN  64   5.446   3.111  -9.726
  505    HB2  ASN  64           2HB      ASN  64   2.766   3.279  -8.885
  506    HB3  ASN  64           3HB      ASN  64   3.401   2.956 -10.476
  507   HD21  ASN  64          1HD2      ASN  64   1.823   1.543  -7.674
  508   HD22  ASN  64          2HD2      ASN  64   1.599  -0.024  -8.438
  509    H    ARG  65           H        ARG  65   6.263   2.428  -6.697
  510    HA   ARG  65           HA       ARG  65   4.983   4.150  -4.981
  511    HB2  ARG  65           2HB      ARG  65   6.876   3.966  -3.536
  512    HB3  ARG  65           3HB      ARG  65   6.765   2.465  -4.432
  513    HG2  ARG  65           2HG      ARG  65   8.518   3.456  -6.046
  514    HG3  ARG  65           3HG      ARG  65   8.714   4.767  -4.866
  515    HD2  ARG  65           2HD      ARG  65   9.397   3.215  -3.159
  516    HD3  ARG  65           3HD      ARG  65   9.091   1.823  -4.212
  517    HE   ARG  65           HE       ARG  65  11.419   3.580  -4.204
  518   HH11  ARG  65          1HH2      ARG  65   9.635   1.379  -6.310
  519   HH12  ARG  65          2HH2      ARG  65  11.051   1.068  -7.281
  520   HH21  ARG  65          1HH1      ARG  65  13.144   3.126  -5.510
  521   HH22  ARG  65          2HH1      ARG  65  12.961   2.034  -6.850
  522    H    GLU  66           H        GLU  66   7.606   5.052  -7.159
  523    HA   GLU  66           HA       GLU  66   7.812   7.737  -6.145
  524    HB2  GLU  66           2HB      GLU  66   9.415   8.060  -7.988
  525    HB3  GLU  66           3HB      GLU  66   9.750   6.644  -6.981
  526    HG2  GLU  66           2HG      GLU  66   8.836   5.143  -8.684
  527    HG3  GLU  66           3HG      GLU  66   8.364   6.516  -9.693
  528    H    GLU  67           H        GLU  67   5.852   6.240  -8.581
  529    HA   GLU  67           HA       GLU  67   4.884   8.724  -9.787
  530    HB2  GLU  67           2HB      GLU  67   5.121   6.632 -11.081
  531    HB3  GLU  67           3HB      GLU  67   3.871   5.879 -10.082
  532    HG2  GLU  67           2HG      GLU  67   2.215   7.515 -10.847
  533    HG3  GLU  67           3HG      GLU  67   3.459   8.410 -11.726
  534    H    LEU  68           H        LEU  68   3.762   6.290  -7.393
  535    HA   LEU  68           HA       LEU  68   1.319   7.626  -6.642
  536    HB2  LEU  68           2HB      LEU  68   3.171   5.790  -5.063
  537    HB3  LEU  68           3HB      LEU  68   1.568   6.277  -4.537
  538    HG   LEU  68           HG       LEU  68   2.125   4.660  -7.061
  539   HD11  LEU  68          1HD1      LEU  68   1.103   3.789  -4.329
  540   HD12  LEU  68          2HD1      LEU  68   1.176   2.764  -5.775
  541   HD13  LEU  68          3HD1      LEU  68   2.673   3.369  -5.048
  542   HD21  LEU  68          3HD2      LEU  68  -0.258   4.205  -7.066
  543   HD22  LEU  68          1HD2      LEU  68  -0.498   5.234  -5.642
  544   HD23  LEU  68          2HD2      LEU  68   0.011   5.939  -7.198
  545    H    GLY  69           H        GLY  69   4.694   8.164  -5.724
  546    HA2  GLY  69           2HA      GLY  69   5.243  10.537  -5.406
  547    HA3  GLY  69           3HA      GLY  69   3.820  10.718  -4.387
  548    H    PHE  70           H        PHE  70   5.552   7.779  -3.776
  549    HA   PHE  70           HA       PHE  70   6.535   8.552  -1.179
  550    HB2  PHE  70           2HB      PHE  70   7.180   6.255  -3.060
  551    HB3  PHE  70           3HB      PHE  70   8.033   6.486  -1.557
  552    HD1  PHE  70           HD1      PHE  70   6.981   6.261   0.619
  553    HD2  PHE  70           HD2      PHE  70   4.802   5.444  -3.007
  554    HE1  PHE  70           HE1      PHE  70   5.289   5.010   1.915
  555    HE2  PHE  70           HE2      PHE  70   3.133   4.141  -1.711
  556    HZ   PHE  70           HZ       PHE  70   3.395   3.897   0.751
  557    H    ARG  71           H        ARG  71   8.395   9.316  -0.539
  558    HA   ARG  71           HA       ARG  71  10.843   9.332  -2.145
  559    HB2  ARG  71           2HB      ARG  71   9.810  11.853  -0.752
  560    HB3  ARG  71           3HB      ARG  71  11.383  11.682  -1.508
  561    HG2  ARG  71           2HG      ARG  71   8.716  11.622  -2.989
  562    HG3  ARG  71           3HG      ARG  71   9.800  12.999  -2.859
  563    HD2  ARG  71           2HD      ARG  71  11.577  11.755  -4.034
  564    HD3  ARG  71           3HD      ARG  71  10.526  10.359  -4.211
  565    HE   ARG  71           HE       ARG  71  10.407  12.913  -5.675
  566   HH11  ARG  71          1HH2      ARG  71   8.620   9.937  -5.076
  567   HH12  ARG  71          2HH2      ARG  71   7.702  10.126  -6.571
  568   HH21  ARG  71          1HH1      ARG  71   9.161  13.056  -7.507
  569   HH22  ARG  71          2HH1      ARG  71   7.985  11.820  -7.851
  570    HA   PRO  72           HA       PRO  72  12.433   7.672   1.461
  571    HB2  PRO  72           2HB      PRO  72  14.582   9.792   1.645
  572    HB3  PRO  72           3HB      PRO  72  14.739   8.014   1.795
  573    HG2  PRO  72           2HG      PRO  72  15.360   9.206  -0.552
  574    HG3  PRO  72           3HG      PRO  72  14.365   7.713  -0.564
  575    HD2  PRO  72           2HD      PRO  72  13.449  10.587  -0.823
  576    HD3  PRO  72           3HD      PRO  72  12.944   9.148  -1.759
  577    H    GLU  73           H        GLU  73  12.197  11.214   1.891
  578    HA   GLU  73           HA       GLU  73  12.238  11.272   4.733
  579    HB2  GLU  73           2HB      GLU  73  11.387  13.520   4.515
  580    HB3  GLU  73           3HB      GLU  73  12.615  13.215   3.290
  581    HG2  GLU  73           2HG      GLU  73  10.779  12.822   1.605
  582    HG3  GLU  73           3HG      GLU  73   9.597  13.240   2.845
  583    H    TYR  74           H        TYR  74   9.724  10.091   2.701
  584    HA   TYR  74           HA       TYR  74   8.149   9.474   5.075
  585    HB2  TYR  74           2HB      TYR  74   5.988  10.120   3.812
  586    HB3  TYR  74           3HB      TYR  74   6.896  11.293   4.721
  587    HD1  TYR  74           HD1      TYR  74   7.388  10.078   1.175
  588    HD2  TYR  74           HD2      TYR  74   6.512  13.372   3.812
  589    HE1  TYR  74           HE1      TYR  74   7.307  11.625  -0.778
  590    HE2  TYR  74           HE2      TYR  74   6.478  14.922   1.864
  591    HH   TYR  74           HH       TYR  74   6.993  13.774  -1.492
  592    H    SER  75           H        SER  75   9.487   7.643   4.391
  593    HA   SER  75           HA       SER  75   8.845   5.888   2.245
  594    HB2  SER  75           2HB      SER  75  10.086   5.457   4.991
  595    HB3  SER  75           3HB      SER  75  10.068   4.251   3.694
  596    HG   SER  75           HG       SER  75  11.236   6.856   3.552
  597    H    ALA  76           H        ALA  76   8.225   3.503   2.966
  598    HA   ALA  76           HA       ALA  76   5.484   3.281   3.172
  599    HB1  ALA  76           1HB      ALA  76   7.551   1.244   4.059
  600    HB2  ALA  76           2HB      ALA  76   5.873   0.924   3.565
  601    HB3  ALA  76           3HB      ALA  76   7.030   1.535   2.378
  602    H    SER  77           H        SER  77   7.514   3.811   5.979
  603    HA   SER  77           HA       SER  77   5.764   2.793   8.001
  604    HB2  SER  77           2HB      SER  77   7.030   4.319   9.475
  605    HB3  SER  77           3HB      SER  77   8.118   3.434   8.387
  606    HG   SER  77           HG       SER  77   8.746   5.547   8.314
  607    H    GLN  78           H        GLN  78   5.531   5.585   5.914
  608    HA   GLN  78           HA       GLN  78   3.654   6.989   7.605
  609    HB2  GLN  78           2HB      GLN  78   4.784   7.772   4.908
  610    HB3  GLN  78           3HB      GLN  78   3.883   8.802   6.015
  611    HG2  GLN  78           2HG      GLN  78   6.667   7.673   6.452
  612    HG3  GLN  78           3HG      GLN  78   6.201   9.352   6.213
  613   HE21  GLN  78          2HE2      GLN  78   6.852   6.985   8.589
  614   HE22  GLN  78          1HE2      GLN  78   6.223   7.908   9.957
  615    H    LEU  79           H        LEU  79   2.892   4.393   6.196
  616    HA   LEU  79           HA       LEU  79   0.482   5.233   4.669
  617    HB2  LEU  79           2HB      LEU  79   1.690   2.556   5.466
  618    HB3  LEU  79           3HB      LEU  79   0.122   2.699   4.689
  619    HG   LEU  79           HG       LEU  79   2.568   3.847   3.320
  620   HD11  LEU  79          1HD1      LEU  79   3.159   1.485   3.867
  621   HD12  LEU  79          2HD1      LEU  79   1.684   0.951   3.059
  622   HD13  LEU  79          3HD1      LEU  79   2.950   1.770   2.133
  623   HD21  LEU  79          3HD2      LEU  79   0.107   2.484   2.184
  624   HD22  LEU  79          1HD2      LEU  79   0.190   4.211   2.538
  625   HD23  LEU  79          2HD2      LEU  79   1.275   3.510   1.336
  626    H    LYS  80           H        LYS  80  -1.542   5.313   5.489
  627    HA   LYS  80           HA       LYS  80  -2.122   5.316   8.257
  628    HB2  LYS  80           2HB      LYS  80  -4.100   4.617   6.042
  629    HB3  LYS  80           3HB      LYS  80  -4.496   5.101   7.689
  630    HG2  LYS  80           2HG      LYS  80  -3.289   7.269   7.261
  631    HG3  LYS  80           3HG      LYS  80  -3.180   6.798   5.552
  632    HD2  LYS  80           2HD      LYS  80  -5.741   7.193   7.176
  633    HD3  LYS  80           3HD      LYS  80  -5.054   8.363   6.043
  634    HE2  LYS  80           2HE      LYS  80  -5.350   6.759   4.179
  635    HE3  LYS  80           3HE      LYS  80  -6.034   5.571   5.302
  636    HZ1  LYS  80           3HZ      LYS  80  -7.856   7.115   5.742
  637    HZ2  LYS  80           1HZ      LYS  80  -7.226   8.235   4.733
  638    HZ3  LYS  80           2HZ      LYS  80  -7.772   6.815   4.140
  639    H    GLY  81           H        GLY  81  -2.608   3.799   9.738
  640    HA2  GLY  81           2HA      GLY  81  -3.122   1.764  10.708
  641    HA3  GLY  81           3HA      GLY  81  -3.672   1.190   9.133
  642    H    PHE  82           H        PHE  82  -0.417   2.147   8.782
  643    HA   PHE  82           HA       PHE  82   0.617  -0.399   8.233
  644    HB2  PHE  82           2HB      PHE  82   1.714   1.514   7.404
  645    HB3  PHE  82           3HB      PHE  82   1.791   2.288   8.977
  646    HD1  PHE  82           HD1      PHE  82   3.438   1.692  10.644
  647    HD2  PHE  82           HD2      PHE  82   3.534  -0.013   6.687
  648    HE1  PHE  82           HE1      PHE  82   5.808   0.994  10.999
  649    HE2  PHE  82           HE2      PHE  82   5.895  -0.674   7.034
  650    HZ   PHE  82           HZ       PHE  82   7.028  -0.191   9.186
  651    H    SER  83           H        SER  83   0.759   1.472  11.287
  652    HA   SER  83           HA       SER  83   2.396  -0.167  12.821
  653    HB2  SER  83           2HB      SER  83  -0.059   1.402  13.707
  654    HB3  SER  83           3HB      SER  83   1.300   0.928  14.748
  655    HG   SER  83           HG       SER  83   1.276   3.128  13.870
  656    H    LEU  84           H        LEU  84  -0.932  -0.832  11.896
  657    HA   LEU  84           HA       LEU  84  -1.394  -2.758  14.086
  658    HB2  LEU  84           2HB      LEU  84  -3.124  -1.624  11.854
  659    HB3  LEU  84           3HB      LEU  84  -3.650  -2.952  12.854
  660    HG   LEU  84           HG       LEU  84  -4.650  -0.914  13.588
  661   HD11  LEU  84          1HD1      LEU  84  -2.626  -1.806  15.677
  662   HD12  LEU  84          2HD1      LEU  84  -4.194  -1.027  15.957
  663   HD13  LEU  84          3HD1      LEU  84  -4.133  -2.660  15.273
  664   HD21  LEU  84          3HD2      LEU  84  -2.825   0.680  12.943
  665   HD22  LEU  84          1HD2      LEU  84  -3.517   0.950  14.552
  666   HD23  LEU  84          2HD2      LEU  84  -1.937   0.168  14.402
  667    H    LEU  85           H        LEU  85  -0.007  -2.935  10.974
  668    HA   LEU  85           HA       LEU  85  -0.826  -5.676  10.326
  669    HB2  LEU  85           2HB      LEU  85   1.327  -3.781   9.346
  670    HB3  LEU  85           3HB      LEU  85   1.363  -5.474   8.908
  671    HG   LEU  85           HG       LEU  85  -0.788  -5.337   7.795
  672   HD11  LEU  85          1HD1      LEU  85  -0.764  -2.386   8.531
  673   HD12  LEU  85          2HD1      LEU  85  -1.833  -3.121   7.321
  674   HD13  LEU  85          3HD1      LEU  85  -1.978  -3.591   9.017
  675   HD21  LEU  85          3HD2      LEU  85   1.107  -3.097   6.965
  676   HD22  LEU  85          1HD2      LEU  85   1.294  -4.816   6.562
  677   HD23  LEU  85          2HD2      LEU  85  -0.083  -3.906   5.923
  678    H    ALA  86           H        ALA  86   0.791  -7.481  10.266
  679    HA   ALA  86           HA       ALA  86   2.079  -7.983  12.768
  680    HB1  ALA  86           1HB      ALA  86   2.378  -9.302  10.034
  681    HB2  ALA  86           2HB      ALA  86   2.996  -9.966  11.565
  682    HB3  ALA  86           3HB      ALA  86   1.251  -9.777  11.322
  683    H    THR  87           H        THR  87   4.277  -8.031  13.338
  684    HA   THR  87           HA       THR  87   5.898  -5.900  12.582
  685    HB   THR  87           HB       THR  87   6.904  -8.553  13.653
  686    HG1  THR  87           1HG      THR  87   6.373  -7.711  15.678
  687   HG21  THR  87          1HG2      THR  87   7.846  -5.678  14.097
  688   HG22  THR  87          2HG2      THR  87   8.496  -7.113  14.924
  689   HG23  THR  87          3HG2      THR  87   8.711  -6.930  13.179
  690    H    GLU  88           H        GLU  88   6.005  -9.246  11.287
  691    HA   GLU  88           HA       GLU  88   8.338  -8.856   9.672
  692    HB2  GLU  88           2HB      GLU  88   7.722 -10.915   8.577
  693    HB3  GLU  88           3HB      GLU  88   7.528 -11.056  10.322
  694    HG2  GLU  88           2HG      GLU  88   5.048 -10.692  10.032
  695    HG3  GLU  88           3HG      GLU  88   5.290 -10.682   8.283
  696    H    ASP  89           H        ASP  89   4.930  -8.040   9.029
  697    HA   ASP  89           HA       ASP  89   5.479  -7.400   6.200
  698    HB2  ASP  89           2HB      ASP  89   3.051  -6.989   7.975
  699    HB3  ASP  89           3HB      ASP  89   3.161  -6.432   6.307
  700    H    LYS  90           H        LYS  90   5.061  -5.609   9.275
  701    HA   LYS  90           HA       LYS  90   5.351  -2.958   8.223
  702    HB2  LYS  90           2HB      LYS  90   6.006  -4.184  10.933
  703    HB3  LYS  90           3HB      LYS  90   6.157  -2.449  10.605
  704    HG2  LYS  90           2HG      LYS  90   3.872  -2.164  10.194
  705    HG3  LYS  90           3HG      LYS  90   3.568  -3.891  10.002
  706    HD2  LYS  90           2HD      LYS  90   2.650  -3.132  12.087
  707    HD3  LYS  90           3HD      LYS  90   3.948  -4.299  12.369
  708    HE2  LYS  90           2HE      LYS  90   5.486  -2.448  12.954
  709    HE3  LYS  90           3HE      LYS  90   4.205  -1.275  12.609
  710    HZ1  LYS  90           3HZ      LYS  90   2.877  -2.332  14.396
  711    HZ2  LYS  90           1HZ      LYS  90   4.098  -3.365  14.727
  712    HZ3  LYS  90           2HZ      LYS  90   4.301  -1.768  14.991
  713    H    GLU  91           H        GLU  91   7.852  -5.292   9.265
  714    HA   GLU  91           HA       GLU  91  10.081  -3.582   8.529
  715    HB2  GLU  91           2HB      GLU  91   9.832  -6.595   8.856
  716    HB3  GLU  91           3HB      GLU  91  11.349  -5.774   8.497
  717    HG2  GLU  91           2HG      GLU  91   9.650  -5.226  10.969
  718    HG3  GLU  91           3HG      GLU  91  11.022  -6.324  10.917
  719    H    ALA  92           H        ALA  92   8.377  -6.214   6.705
  720    HA   ALA  92           HA       ALA  92  10.087  -6.099   4.456
  721    HB1  ALA  92           1HB      ALA  92   8.311  -7.369   3.323
  722    HB2  ALA  92           2HB      ALA  92   8.627  -7.985   4.954
  723    HB3  ALA  92           3HB      ALA  92   7.187  -6.981   4.644
  724    H    LEU  93           H        LEU  93   7.170  -4.144   5.113
  725    HA   LEU  93           HA       LEU  93   6.967  -3.005   2.470
  726    HB2  LEU  93           2HB      LEU  93   6.012  -2.116   5.213
  727    HB3  LEU  93           3HB      LEU  93   5.613  -1.247   3.735
  728    HG   LEU  93           HG       LEU  93   4.873  -4.170   4.161
  729   HD11  LEU  93          1HD1      LEU  93   3.776  -2.737   5.841
  730   HD12  LEU  93          2HD1      LEU  93   3.206  -1.647   4.554
  731   HD13  LEU  93          3HD1      LEU  93   2.612  -3.321   4.643
  732   HD21  LEU  93          3HD2      LEU  93   3.885  -2.100   2.169
  733   HD22  LEU  93          1HD2      LEU  93   4.948  -3.481   1.801
  734   HD23  LEU  93          2HD2      LEU  93   3.290  -3.764   2.341
  735    H    LYS  94           H        LYS  94   8.703  -1.866   5.418
  736    HA   LYS  94           HA       LYS  94   9.895   0.447   4.180
  737    HB2  LYS  94           2HB      LYS  94  10.716  -1.243   6.573
  738    HB3  LYS  94           3HB      LYS  94  11.455   0.295   6.123
  739    HG2  LYS  94           2HG      LYS  94   9.308   1.470   6.467
  740    HG3  LYS  94           3HG      LYS  94   8.529  -0.045   6.931
  741    HD2  LYS  94           2HD      LYS  94  10.854   1.288   8.394
  742    HD3  LYS  94           3HD      LYS  94   9.158   1.297   8.907
  743    HE2  LYS  94           2HE      LYS  94   9.193  -1.179   9.103
  744    HE3  LYS  94           3HE      LYS  94  10.879  -1.204   8.586
  745    HZ1  LYS  94           3HZ      LYS  94  11.439   0.085  10.580
  746    HZ2  LYS  94           1HZ      LYS  94   9.881   0.019  11.094
  747    HZ3  LYS  94           2HZ      LYS  94  10.763  -1.362  10.932
  748    H    LYS  95           H        LYS  95  10.978  -2.984   4.641
  749    HA   LYS  95           HA       LYS  95  13.619  -2.538   3.697
  750    HB2  LYS  95           2HB      LYS  95  11.877  -5.015   3.771
  751    HB3  LYS  95           3HB      LYS  95  13.520  -5.065   3.129
  752    HG2  LYS  95           2HG      LYS  95  14.489  -4.343   5.211
  753    HG3  LYS  95           3HG      LYS  95  12.917  -3.970   5.904
  754    HD2  LYS  95           2HD      LYS  95  13.715  -6.039   6.846
  755    HD3  LYS  95           3HD      LYS  95  12.301  -6.380   5.839
  756    HE2  LYS  95           2HE      LYS  95  13.786  -7.134   3.997
  757    HE3  LYS  95           3HE      LYS  95  15.209  -6.726   4.965
  758    HZ1  LYS  95           3HZ      LYS  95  14.692  -9.093   5.104
  759    HZ2  LYS  95           1HZ      LYS  95  14.516  -8.417   6.577
  760    HZ3  LYS  95           2HZ      LYS  95  13.198  -8.796   5.685
  761    H    GLN  96           H        GLN  96  10.732  -2.868   1.811
  762    HA   GLN  96           HA       GLN  96  12.151  -3.169  -0.755
  763    HB2  GLN  96           2HB      GLN  96   9.231  -2.878   0.028
  764    HB3  GLN  96           3HB      GLN  96   9.792  -2.971  -1.647
  765    HG2  GLN  96           2HG      GLN  96  10.735  -5.173  -1.327
  766    HG3  GLN  96           3HG      GLN  96  10.438  -5.123   0.411
  767   HE21  GLN  96          2HE2      GLN  96   8.162  -5.033   1.149
  768   HE22  GLN  96          1HE2      GLN  96   6.921  -5.780   0.126
  769    H    LEU  97           H        LEU  97  10.943  -0.476   1.182
  770    HA   LEU  97           HA       LEU  97  12.306   1.335  -0.648
  771    HB2  LEU  97           2HB      LEU  97  10.473   2.939  -0.860
  772    HB3  LEU  97           3HB      LEU  97  10.212   1.457  -1.749
  773    HG   LEU  97           HG       LEU  97   8.974   1.500   0.982
  774   HD11  LEU  97          1HD1      LEU  97   7.893   3.243  -1.272
  775   HD12  LEU  97          2HD1      LEU  97   7.067   2.868   0.251
  776   HD13  LEU  97          3HD1      LEU  97   8.558   3.824   0.271
  777   HD21  LEU  97          3HD2      LEU  97   8.608  -0.346  -0.644
  778   HD22  LEU  97          1HD2      LEU  97   7.119   0.482  -0.190
  779   HD23  LEU  97          2HD2      LEU  97   7.858   0.817  -1.766
  780    HA   PRO  98           HA       PRO  98  12.481   2.240   3.855
  781    HB2  PRO  98           2HB      PRO  98  15.139   1.807   4.392
  782    HB3  PRO  98           3HB      PRO  98  13.921   0.514   4.294
  783    HG2  PRO  98           2HG      PRO  98  15.970   1.319   2.246
  784    HG3  PRO  98           3HG      PRO  98  15.341  -0.315   2.640
  785    HD2  PRO  98           2HD      PRO  98  14.518   1.290   0.480
  786    HD3  PRO  98           3HD      PRO  98  13.627  -0.098   1.159
  787    H    GLY  99           H        GLY  99  13.110   4.335   4.841
  788    HA2  GLY  99           2HA      GLY  99  15.326   5.910   3.654
  789    HA3  GLY  99           3HA      GLY  99  13.702   6.547   3.467
  790    H    VAL 100           H        VAL 100  13.464   8.171   4.778
  791    HA   VAL 100           HA       VAL 100  13.892   9.757   6.300
  792    HB   VAL 100           HB       VAL 100  13.274   7.584   8.253
  793   HG11  VAL 100          1HG1      VAL 100  12.496  10.553   8.117
  794   HG12  VAL 100          2HG1      VAL 100  11.990   9.422   9.392
  795   HG13  VAL 100          3HG1      VAL 100  13.686   9.876   9.237
  796   HG21  VAL 100          3HG2      VAL 100  11.371   9.067   6.395
  797   HG22  VAL 100          1HG2      VAL 100  11.661   7.316   6.441
  798   HG23  VAL 100          2HG2      VAL 100  10.850   8.101   7.795
  799    H    LYS 101           H        LYS 101  16.168   9.085   5.422
  800    HA   LYS 101           HA       LYS 101  18.209   8.736   7.503
  801    HB2  LYS 101           2HB      LYS 101  18.312   9.370   4.535
  802    HB3  LYS 101           3HB      LYS 101  19.764   9.397   5.547
  803    HG2  LYS 101           2HG      LYS 101  19.438   7.105   6.247
  804    HG3  LYS 101           3HG      LYS 101  17.914   6.991   5.337
  805    HD2  LYS 101           2HD      LYS 101  19.151   7.392   3.217
  806    HD3  LYS 101           3HD      LYS 101  20.676   7.481   4.127
  807    HE2  LYS 101           2HE      LYS 101  20.330   5.159   4.934
  808    HE3  LYS 101           3HE      LYS 101  18.799   5.072   4.053
  809    HZ1  LYS 101           3HZ      LYS 101  21.465   5.444   2.790
  810    HZ2  LYS 101           1HZ      LYS 101  20.608   4.056   2.790
  811    HZ3  LYS 101           2HZ      LYS 101  20.049   5.356   1.980
  812    H    SER 102           H        SER 102  16.192  11.144   7.388
  813    HA   SER 102           HA       SER 102  17.566  13.570   7.370
  814    HB2  SER 102           2HB      SER 102  15.353  12.781   9.295
  815    HB3  SER 102           3HB      SER 102  15.743  14.408   8.702
  816    HG   SER 102           HG       SER 102  13.994  13.531   7.542
  817    H    GLU 103           H        GLU 103  17.709  11.045   9.807
  818    HA   GLU 103           HA       GLU 103  18.907  12.570  11.949
  819    HB2  GLU 103           2HB      GLU 103  17.691  10.413  12.157
  820    HB3  GLU 103           3HB      GLU 103  18.998   9.593  11.294
  821    HG2  GLU 103           2HG      GLU 103  20.553  10.036  13.105
  822    HG3  GLU 103           3HG      GLU 103  19.415  11.146  13.883
  823    H    GLY 104           H        GLY 104  20.213  11.115   9.026
  824    HA2  GLY 104           2HA      GLY 104  22.211  11.243   7.999
  825    HA3  GLY 104           3HA      GLY 104  22.484  12.686   8.980
  826    H    LYS 105           H        LYS 105  22.293   9.507  10.534
  827    HA   LYS 105           HA       LYS 105  24.926   9.911  11.705
  828    HB2  LYS 105           2HB      LYS 105  24.427   7.992  13.072
  829    HB3  LYS 105           3HB      LYS 105  23.052   9.091  13.040
  830    HG2  LYS 105           2HG      LYS 105  21.872   7.620  11.445
  831    HG3  LYS 105           3HG      LYS 105  23.271   6.530  11.381
  832    HD2  LYS 105           2HD      LYS 105  23.057   6.093  13.807
  833    HD3  LYS 105           3HD      LYS 105  21.655   7.160  13.896
  834    HE2  LYS 105           2HE      LYS 105  21.837   4.600  12.232
  835    HE3  LYS 105           3HE      LYS 105  21.090   4.734  13.826
  836    HZ1  LYS 105           3HZ      LYS 105  19.566   6.427  12.848
  837    HZ2  LYS 105           1HZ      LYS 105  20.151   6.082  11.360
  838    HZ3  LYS 105           2HZ      LYS 105  19.368   4.927  12.210
  839    H    ARG 106           H        ARG 106  24.046   8.564   8.813
  840    HA   ARG 106           HA       ARG 106  25.893   6.397   8.580
  841    HB2  ARG 106           2HB      ARG 106  23.959   6.554   7.141
  842    HB3  ARG 106           3HB      ARG 106  24.435   8.147   6.562
  843    HG2  ARG 106           2HG      ARG 106  24.777   6.449   4.853
  844    HG3  ARG 106           3HG      ARG 106  26.287   7.220   5.300
  845    HD2  ARG 106           2HD      ARG 106  26.755   5.177   6.799
  846    HD3  ARG 106           3HD      ARG 106  25.310   4.448   6.107
  847    HE   ARG 106           HE       ARG 106  26.472   4.018   4.142
  848   HH11  ARG 106          1HH2      ARG 106  28.433   6.310   5.977
  849   HH12  ARG 106          2HH2      ARG 106  29.734   6.234   4.801
  850   HH21  ARG 106          1HH1      ARG 106  28.244   3.959   2.753
  851   HH22  ARG 106          2HH1      ARG 106  29.645   4.931   3.126
  852    H    LYS 107           H        LYS 107  26.367   9.841   8.359
  853    HA   LYS 107           HA       LYS 107  29.129   9.496   7.223
  854    HB2  LYS 107           2HB      LYS 107  27.170  11.775   6.725
  855    HB3  LYS 107           3HB      LYS 107  28.819  11.656   6.102
  856    HG2  LYS 107           2HG      LYS 107  28.145   9.502   4.925
  857    HG3  LYS 107           3HG      LYS 107  26.488   9.811   5.437
  858    HD2  LYS 107           2HD      LYS 107  26.703  10.565   3.175
  859    HD3  LYS 107           3HD      LYS 107  26.486  11.962   4.222
  860    HE2  LYS 107           2HE      LYS 107  28.124  12.516   2.565
  861    HE3  LYS 107           3HE      LYS 107  28.950  12.410   4.117
  862    HZ1  LYS 107           3HZ      LYS 107  29.813  10.238   3.471
  863    HZ2  LYS 107           1HZ      LYS 107  28.923  10.236   2.091
  864    HZ3  LYS 107           2HZ      LYS 107  30.135  11.314   2.266
  865    H    GLY 108           H        GLY 108  30.430  11.590   7.571
  866    HA2  GLY 108           2HA      GLY 108  31.137  13.334   9.037
  867    HA3  GLY 108           3HA      GLY 108  30.177  12.656  10.348
  868    H    ASP 109           H        ASP 109  31.783  10.089   8.938
  869    HA   ASP 109           HA       ASP 109  34.360  10.441  10.363
  870    HB2  ASP 109           2HB      ASP 109  32.757   9.230  11.858
  871    HB3  ASP 109           3HB      ASP 109  32.598   7.975  10.630
  872    H    GLU 110           H        GLU 110  34.041  10.895   7.739
  873    HA   GLU 110           HA       GLU 110  35.343   8.600   6.343
  874    HB2  GLU 110           2HB      GLU 110  33.078  10.312   5.237
  875    HB3  GLU 110           3HB      GLU 110  33.955   9.056   4.361
  876    HG2  GLU 110           2HG      GLU 110  33.098   7.357   5.979
  877    HG3  GLU 110           3HG      GLU 110  32.124   8.616   6.756
  878    H    VAL 111           H        VAL 111  36.551   9.190   4.439
  879    HA   VAL 111           HA       VAL 111  37.637  11.929   4.377
  880    HB   VAL 111           HB       VAL 111  39.083  11.121   2.566
  881   HG11  VAL 111          1HG1      VAL 111  40.458   9.626   3.902
  882   HG12  VAL 111          2HG1      VAL 111  39.782  10.905   4.924
  883   HG13  VAL 111          3HG1      VAL 111  39.096   9.266   4.981
  884   HG21  VAL 111          3HG2      VAL 111  37.802   8.382   2.989
  885   HG22  VAL 111          1HG2      VAL 111  37.581   9.412   1.555
  886   HG23  VAL 111          2HG2      VAL 111  39.180   8.768   1.946
  887    H    ASP 112           H        ASP 112  34.957  10.524   3.166
  888    HA   ASP 112           HA       ASP 112  33.420  10.874   1.543
  889    HB2  ASP 112           2HB      ASP 112  33.177  12.699   3.196
  890    HB3  ASP 112           3HB      ASP 112  34.085  13.769   2.136
  Start of MODEL   29
    1    H1   GLY   1           H1       GLY   1 -11.446  14.931  19.529
    2    H2   GLY   1           H2       GLY   1  -9.839  15.016  19.216
    3    H3   GLY   1           H3       GLY   1 -10.371  14.970  20.764
    4    HA2  GLY   1           2HA      GLY   1 -11.210  12.735  20.485
    5    HA3  GLY   1           3HA      GLY   1 -10.658  12.787  18.800
    6    H    SER   2           H        SER   2  -9.898  11.041  21.154
    7    HA   SER   2           HA       SER   2  -7.213  11.777  21.935
    8    HB2  SER   2           2HB      SER   2  -8.680   9.144  22.300
    9    HB3  SER   2           3HB      SER   2  -7.245   9.693  23.186
   10    HG   SER   2           HG       SER   2  -9.183  10.074  24.361
   11    H    LYS   3           H        LYS   3  -8.332  10.082  19.154
   12    HA   LYS   3           HA       LYS   3  -6.024   8.317  18.821
   13    HB2  LYS   3           2HB      LYS   3  -8.264   9.095  16.908
   14    HB3  LYS   3           3HB      LYS   3  -7.022   7.882  16.576
   15    HG2  LYS   3           2HG      LYS   3  -7.765   6.567  18.550
   16    HG3  LYS   3           3HG      LYS   3  -9.055   7.749  18.848
   17    HD2  LYS   3           2HD      LYS   3  -9.979   7.292  16.580
   18    HD3  LYS   3           3HD      LYS   3  -8.747   6.054  16.322
   19    HE2  LYS   3           2HE      LYS   3 -10.826   6.033  18.564
   20    HE3  LYS   3           3HE      LYS   3 -11.007   5.188  17.025
   21    HZ1  LYS   3           3HZ      LYS   3  -8.875   4.635  19.019
   22    HZ2  LYS   3           1HZ      LYS   3 -10.168   3.691  18.717
   23    HZ3  LYS   3           2HZ      LYS   3  -9.023   3.881  17.573
   24    H    ALA   4           H        ALA   4  -4.419   8.410  17.285
   25    HA   ALA   4           HA       ALA   4  -3.942  10.840  15.695
   26    HB1  ALA   4           1HB      ALA   4  -1.997   9.879  17.847
   27    HB2  ALA   4           2HB      ALA   4  -1.692  11.176  16.671
   28    HB3  ALA   4           3HB      ALA   4  -2.950  11.381  17.903
   29    H    GLU   5           H        GLU   5  -2.079  10.567  14.219
   30    HA   GLU   5           HA       GLU   5  -1.164   7.805  13.715
   31    HB2  GLU   5           2HB      GLU   5  -3.118   9.269  12.031
   32    HB3  GLU   5           3HB      GLU   5  -1.721   8.729  11.122
   33    HG2  GLU   5           2HG      GLU   5  -3.372   6.886  12.895
   34    HG3  GLU   5           3HG      GLU   5  -3.668   7.148  11.180
   35    H    LYS   6           H        LYS   6   0.534   7.622  12.195
   36    HA   LYS   6           HA       LYS   6   2.403   9.953  12.240
   37    HB2  LYS   6           2HB      LYS   6   3.000   7.813  13.407
   38    HB3  LYS   6           3HB      LYS   6   2.982   6.986  11.856
   39    HG2  LYS   6           2HG      LYS   6   5.245   7.511  12.676
   40    HG3  LYS   6           3HG      LYS   6   4.932   8.237  11.106
   41    HD2  LYS   6           2HD      LYS   6   4.573  10.442  12.165
   42    HD3  LYS   6           3HD      LYS   6   4.769   9.711  13.775
   43    HE2  LYS   6           2HE      LYS   6   7.090   9.051  13.173
   44    HE3  LYS   6           3HE      LYS   6   6.878   9.763  11.566
   45    HZ1  LYS   6           3HZ      LYS   6   6.760  11.275  14.126
   46    HZ2  LYS   6           1HZ      LYS   6   8.006  11.301  13.073
   47    HZ3  LYS   6           2HZ      LYS   6   6.566  11.931  12.642
   48    H    THR   7           H        THR   7   0.312   8.533  10.082
   49    HA   THR   7           HA       THR   7   1.624   8.264   7.672
   50    HB   THR   7           HB       THR   7  -1.122   9.515   7.907
   51    HG1  THR   7           1HG      THR   7  -1.932   7.616   8.481
   52   HG21  THR   7          1HG2      THR   7  -1.660   8.423   5.911
   53   HG22  THR   7          2HG2      THR   7   0.006   8.826   5.588
   54   HG23  THR   7          3HG2      THR   7  -0.363   7.214   6.102
   55    H    LEU   8           H        LEU   8   2.094   9.579   5.859
   56    HA   LEU   8           HA       LEU   8   2.277  12.459   6.231
   57    HB2  LEU   8           2HB      LEU   8   3.371  12.575   4.279
   58    HB3  LEU   8           3HB      LEU   8   3.705  10.909   4.711
   59    HG   LEU   8           HG       LEU   8   1.657  11.902   2.670
   60   HD11  LEU   8          1HD1      LEU   8   4.239  10.349   2.287
   61   HD12  LEU   8          2HD1      LEU   8   3.125  10.892   1.018
   62   HD13  LEU   8          3HD1      LEU   8   4.024  12.085   1.967
   63   HD21  LEU   8          3HD2      LEU   8   2.395   9.069   3.483
   64   HD22  LEU   8          1HD2      LEU   8   0.802   9.811   3.630
   65   HD23  LEU   8          2HD2      LEU   8   1.455   9.498   2.030
   66    H    GLY   9           H        GLY   9  -0.397  10.519   5.407
   67    HA2  GLY   9           2HA      GLY   9  -2.560  11.442   5.648
   68    HA3  GLY   9           3HA      GLY   9  -2.036  12.938   4.903
   69    H    ASP  10           H        ASP  10  -1.069  10.233   2.869
   70    HA   ASP  10           HA       ASP  10  -3.629  10.259   1.437
   71    HB2  ASP  10           2HB      ASP  10  -2.748  11.195  -0.610
   72    HB3  ASP  10           3HB      ASP  10  -2.618  12.335   0.710
   73    H    PHE  11           H        PHE  11  -1.343   8.235   2.498
   74    HA   PHE  11           HA       PHE  11  -2.491   6.306   0.671
   75    HB2  PHE  11           2HB      PHE  11  -0.270   5.099   0.314
   76    HB3  PHE  11           3HB      PHE  11  -0.725   6.431  -0.685
   77    HD1  PHE  11           HD2      PHE  11   1.242   6.189   2.588
   78    HD2  PHE  11           HD1      PHE  11   1.022   7.640  -1.471
   79    HE1  PHE  11           HE2      PHE  11   3.573   6.987   2.739
   80    HE2  PHE  11           HE1      PHE  11   3.318   8.536  -1.268
   81    HZ   PHE  11           HZ       PHE  11   4.609   8.187   0.829
   82    H    ALA  12           H        ALA  12  -2.440   4.122   1.371
   83    HA   ALA  12           HA       ALA  12  -2.396   3.861   4.346
   84    HB1  ALA  12           1HB      ALA  12  -4.690   3.181   2.469
   85    HB2  ALA  12           2HB      ALA  12  -4.683   3.015   4.235
   86    HB3  ALA  12           3HB      ALA  12  -4.613   4.628   3.488
   87    H    ALA  13           H        ALA  13  -2.504   1.705   5.189
   88    HA   ALA  13           HA       ALA  13  -1.977  -0.555   3.339
   89    HB1  ALA  13           1HB      ALA  13  -0.406   0.141   5.864
   90    HB2  ALA  13           2HB      ALA  13  -0.098  -1.209   4.732
   91    HB3  ALA  13           3HB      ALA  13   0.136   0.467   4.206
   92    H    GLU  14           H        GLU  14  -2.829  -2.562   4.030
   93    HA   GLU  14           HA       GLU  14  -4.225  -2.867   6.582
   94    HB2  GLU  14           2HB      GLU  14  -5.650  -1.379   4.959
   95    HB3  GLU  14           3HB      GLU  14  -5.769  -2.817   3.950
   96    HG2  GLU  14           2HG      GLU  14  -6.838  -4.007   5.920
   97    HG3  GLU  14           3HG      GLU  14  -6.717  -2.507   6.834
   98    H    TYR  15           H        TYR  15  -5.099  -5.166   6.651
   99    HA   TYR  15           HA       TYR  15  -3.882  -6.976   4.644
  100    HB2  TYR  15           2HB      TYR  15  -5.598  -7.504   7.076
  101    HB3  TYR  15           3HB      TYR  15  -5.008  -8.744   5.972
  102    HD1  TYR  15           HD1      TYR  15  -2.414  -8.619   5.414
  103    HD2  TYR  15           HD2      TYR  15  -4.190  -6.833   8.899
  104    HE1  TYR  15           HE1      TYR  15  -0.257  -8.904   6.654
  105    HE2  TYR  15           HE2      TYR  15  -2.052  -7.142  10.145
  106    HH   TYR  15           HH       TYR  15   0.818  -8.661   8.623
  107    H    ALA  16           H        ALA  16  -4.913  -8.079   3.074
  108    HA   ALA  16           HA       ALA  16  -7.275  -7.009   1.916
  109    HB1  ALA  16           1HB      ALA  16  -6.984  -8.887   0.343
  110    HB2  ALA  16           2HB      ALA  16  -5.474  -7.992   0.637
  111    HB3  ALA  16           3HB      ALA  16  -5.742  -9.558   1.427
  112    H    LYS  17           H        LYS  17  -9.022  -7.099   3.359
  113    HA   LYS  17           HA       LYS  17  -9.804  -9.400   4.860
  114    HB2  LYS  17           2HB      LYS  17 -11.558  -7.077   3.947
  115    HB3  LYS  17           3HB      LYS  17 -11.877  -8.152   5.297
  116    HG2  LYS  17           2HG      LYS  17  -9.674  -6.062   5.082
  117    HG3  LYS  17           3HG      LYS  17 -11.092  -6.011   6.110
  118    HD2  LYS  17           2HD      LYS  17  -8.763  -7.962   6.400
  119    HD3  LYS  17           3HD      LYS  17  -9.062  -6.526   7.380
  120    HE2  LYS  17           2HE      LYS  17 -11.248  -7.494   8.117
  121    HE3  LYS  17           3HE      LYS  17 -10.896  -8.961   7.198
  122    HZ1  LYS  17           3HZ      LYS  17 -10.278  -9.210   9.530
  123    HZ2  LYS  17           1HZ      LYS  17  -8.931  -9.290   8.614
  124    HZ3  LYS  17           2HZ      LYS  17  -9.268  -7.933   9.464
  125    H    SER  18           H        SER  18 -10.386  -8.645   1.559
  126    HA   SER  18           HA       SER  18 -11.779 -11.195   1.106
  127    HB2  SER  18           2HB      SER  18 -13.631  -9.635   1.505
  128    HB3  SER  18           3HB      SER  18 -12.983  -8.517   0.288
  129    HG   SER  18           HG       SER  18 -14.704 -10.137  -0.326
  130    H    ASN  19           H        ASN  19 -11.765 -11.799  -1.134
  131    HA   ASN  19           HA       ASN  19  -9.504 -10.793  -2.712
  132    HB2  ASN  19           2HB      ASN  19  -9.901 -13.191  -2.533
  133    HB3  ASN  19           3HB      ASN  19 -11.549 -13.006  -3.137
  134   HD21  ASN  19          2HD2      ASN  19  -8.284 -11.884  -4.330
  135   HD22  ASN  19          1HD2      ASN  19  -8.510 -12.654  -5.893
  136    H    ARG  20           H        ARG  20 -12.645  -9.675  -2.315
  137    HA   ARG  20           HA       ARG  20 -13.437  -9.020  -4.983
  138    HB2  ARG  20           2HB      ARG  20 -14.104  -7.795  -2.297
  139    HB3  ARG  20           3HB      ARG  20 -14.786  -7.210  -3.823
  140    HG2  ARG  20           2HG      ARG  20 -15.635  -9.491  -4.343
  141    HG3  ARG  20           3HG      ARG  20 -15.034 -10.067  -2.778
  142    HD2  ARG  20           2HD      ARG  20 -16.462  -8.368  -1.644
  143    HD3  ARG  20           3HD      ARG  20 -17.066  -7.857  -3.237
  144    HE   ARG  20           HE       ARG  20 -17.471 -10.667  -2.971
  145   HH11  ARG  20          1HH2      ARG  20 -18.798  -7.729  -1.599
  146   HH12  ARG  20          2HH2      ARG  20 -20.341  -8.471  -1.269
  147   HH21  ARG  20          1HH1      ARG  20 -19.461 -11.550  -2.526
  148   HH22  ARG  20          2HH1      ARG  20 -20.698 -10.580  -1.784
  149    H    SER  21           H        SER  21 -11.092  -7.334  -2.907
  150    HA   SER  21           HA       SER  21 -10.989  -4.942  -4.544
  151    HB2  SER  21           2HB      SER  21  -8.819  -4.531  -3.315
  152    HB3  SER  21           3HB      SER  21 -10.274  -4.670  -2.327
  153    HG   SER  21           HG       SER  21  -8.569  -6.896  -2.801
  154    H    THR  22           H        THR  22  -9.269  -4.228  -5.925
  155    HA   THR  22           HA       THR  22  -7.712  -6.382  -7.273
  156    HB   THR  22           HB       THR  22  -9.309  -4.252  -8.681
  157    HG1  THR  22           1HG      THR  22 -10.726  -5.766  -9.246
  158   HG21  THR  22          1HG2      THR  22  -7.934  -6.713  -9.823
  159   HG22  THR  22          2HG2      THR  22  -8.879  -5.527 -10.737
  160   HG23  THR  22          3HG2      THR  22  -7.346  -5.043 -10.006
  161    H    CYS  23           HN       CYS  23  -5.726  -5.833  -7.933
  162    HA   CYS  23           HA       CYS  23  -4.548  -3.407  -6.921
  163    HB2  CYS  23           2HB      CYS  23  -3.395  -5.499  -6.827
  164    HB3  CYS  23           3HB      CYS  23  -3.649  -5.769  -8.554
  165    H    LYS  24           H        LYS  24  -4.789  -1.563  -7.870
  166    HA   LYS  24           HA       LYS  24  -5.236  -1.148 -10.737
  167    HB2  LYS  24           2HB      LYS  24  -4.697   0.789  -8.476
  168    HB3  LYS  24           3HB      LYS  24  -5.399   1.174 -10.060
  169    HG2  LYS  24           2HG      LYS  24  -6.714  -0.451  -7.844
  170    HG3  LYS  24           3HG      LYS  24  -7.118   1.182  -8.346
  171    HD2  LYS  24           2HD      LYS  24  -7.785   0.305 -10.596
  172    HD3  LYS  24           3HD      LYS  24  -7.489  -1.347  -9.992
  173    HE2  LYS  24           2HE      LYS  24  -9.148  -1.044  -8.215
  174    HE3  LYS  24           3HE      LYS  24  -9.398   0.641  -8.691
  175    HZ1  LYS  24           3HZ      LYS  24 -11.131  -0.781  -9.601
  176    HZ2  LYS  24           1HZ      LYS  24 -10.265  -0.148 -10.827
  177    HZ3  LYS  24           2HZ      LYS  24 -10.050  -1.711 -10.391
  178    H    GLY  25           H        GLY  25  -2.496  -1.888  -8.978
  179    HA2  GLY  25           2HA      GLY  25  -0.568  -0.322 -10.574
  180    HA3  GLY  25           3HA      GLY  25  -0.218  -1.581  -9.393
  181    H    CYS  26           HN       CYS  26  -1.914  -3.621 -10.691
  182    HA   CYS  26           HA       CYS  26  -0.591  -3.965 -13.337
  183    HB2  CYS  26           2HB      CYS  26   0.170  -6.152 -12.898
  184    HB3  CYS  26           3HB      CYS  26   0.794  -5.100 -11.629
  185    H    MET  27           H        MET  27  -3.539  -3.998 -11.825
  186    HA   MET  27           HA       MET  27  -5.598  -4.622 -12.365
  187    HB2  MET  27           2HB      MET  27  -4.554  -5.065 -15.171
  188    HB3  MET  27           3HB      MET  27  -6.249  -4.965 -14.723
  189    HG2  MET  27           2HG      MET  27  -4.434  -2.653 -14.030
  190    HG3  MET  27           3HG      MET  27  -4.914  -2.907 -15.693
  191    HE1  MET  27           3HE      MET  27  -7.503  -3.563 -12.569
  192    HE2  MET  27           1HE      MET  27  -6.230  -2.429 -12.061
  193    HE3  MET  27           2HE      MET  27  -7.897  -1.854 -12.304
  194    H    GLU  28           H        GLU  28  -4.487  -6.414 -10.875
  195    HA   GLU  28           HA       GLU  28  -5.877  -8.872 -11.765
  196    HB2  GLU  28           2HB      GLU  28  -3.072  -8.908 -10.573
  197    HB3  GLU  28           3HB      GLU  28  -4.155 -10.296 -10.680
  198    HG2  GLU  28           2HG      GLU  28  -4.255  -9.921 -13.194
  199    HG3  GLU  28           3HG      GLU  28  -2.961  -8.735 -13.000
  200    H    LYS  29           H        LYS  29  -6.760 -10.110 -10.004
  201    HA   LYS  29           HA       LYS  29  -7.644  -8.256  -7.967
  202    HB2  LYS  29           2HB      LYS  29  -8.425 -11.162  -8.195
  203    HB3  LYS  29           3HB      LYS  29  -9.166  -9.888  -7.205
  204    HG2  LYS  29           2HG      LYS  29  -9.590  -8.612  -9.399
  205    HG3  LYS  29           3HG      LYS  29  -9.125 -10.086 -10.240
  206    HD2  LYS  29           2HD      LYS  29 -11.536 -10.010 -10.105
  207    HD3  LYS  29           3HD      LYS  29 -10.946 -11.324  -9.092
  208    HE2  LYS  29           2HE      LYS  29 -12.736 -10.185  -7.930
  209    HE3  LYS  29           3HE      LYS  29 -11.222  -9.904  -7.074
  210    HZ1  LYS  29           3HZ      LYS  29 -12.560  -7.972  -8.891
  211    HZ2  LYS  29           1HZ      LYS  29 -12.443  -7.833  -7.262
  212    HZ3  LYS  29           2HZ      LYS  29 -11.111  -7.701  -8.174
  213    H    ILE  30           H        ILE  30  -7.294  -8.127  -5.872
  214    HA   ILE  30           HA       ILE  30  -4.694  -9.063  -4.987
  215    HB   ILE  30           HB       ILE  30  -6.836  -7.267  -3.874
  216   HG12  ILE  30          2HG1      ILE  30  -3.902  -6.740  -4.537
  217   HG13  ILE  30          3HG1      ILE  30  -5.166  -6.660  -5.752
  218   HG21  ILE  30          1HG2      ILE  30  -5.471  -6.705  -1.971
  219   HG22  ILE  30          2HG2      ILE  30  -5.858  -8.413  -1.892
  220   HG23  ILE  30          3HG2      ILE  30  -4.236  -7.903  -2.428
  221   HD11  ILE  30          3HD1      ILE  30  -6.310  -4.871  -4.505
  222   HD12  ILE  30          1HD1      ILE  30  -4.999  -4.886  -3.292
  223   HD13  ILE  30          2HD1      ILE  30  -4.655  -4.449  -4.974
  224    H    GLU  31           H        GLU  31  -4.114 -10.543  -3.436
  225    HA   GLU  31           HA       GLU  31  -6.012 -12.720  -3.091
  226    HB2  GLU  31           2HB      GLU  31  -3.193 -12.506  -1.994
  227    HB3  GLU  31           3HB      GLU  31  -4.188 -13.958  -2.141
  228    HG2  GLU  31           2HG      GLU  31  -4.172 -13.498  -4.678
  229    HG3  GLU  31           3HG      GLU  31  -2.917 -12.293  -4.330
  230    H    LYS  32           H        LYS  32  -7.167 -13.223  -1.350
  231    HA   LYS  32           HA       LYS  32  -7.469 -11.427   0.876
  232    HB2  LYS  32           2HB      LYS  32  -9.197 -12.935  -0.163
  233    HB3  LYS  32           3HB      LYS  32  -8.433 -14.320   0.599
  234    HG2  LYS  32           2HG      LYS  32  -9.439 -11.944   2.215
  235    HG3  LYS  32           3HG      LYS  32 -10.533 -13.199   1.642
  236    HD2  LYS  32           2HD      LYS  32  -9.256 -14.927   2.863
  237    HD3  LYS  32           3HD      LYS  32  -8.182 -13.675   3.520
  238    HE2  LYS  32           2HE      LYS  32 -10.118 -12.533   4.555
  239    HE3  LYS  32           3HE      LYS  32 -11.208 -13.748   3.880
  240    HZ1  LYS  32           3HZ      LYS  32 -10.647 -14.260   6.183
  241    HZ2  LYS  32           1HZ      LYS  32 -10.061 -15.433   5.218
  242    HZ3  LYS  32           2HZ      LYS  32  -9.052 -14.313   5.850
  243    H    GLY  33           H        GLY  33  -6.630 -11.401   2.869
  244    HA2  GLY  33           2HA      GLY  33  -5.529 -12.092   4.779
  245    HA3  GLY  33           3HA      GLY  33  -5.237 -13.671   4.059
  246    H    GLN  34           H        GLN  34  -4.016 -11.111   2.048
  247    HA   GLN  34           HA       GLN  34  -1.451 -10.967   3.531
  248    HB2  GLN  34           2HB      GLN  34  -0.165 -10.930   1.476
  249    HB3  GLN  34           3HB      GLN  34  -0.983 -12.455   1.746
  250    HG2  GLN  34           2HG      GLN  34  -1.111 -12.012  -0.597
  251    HG3  GLN  34           3HG      GLN  34  -2.722 -11.798   0.061
  252   HE21  GLN  34          2HE2      GLN  34  -3.721  -9.777  -0.319
  253   HE22  GLN  34          1HE2      GLN  34  -2.788  -8.302  -0.416
  254    H    VAL  35           H        VAL  35  -0.187  -8.905   2.726
  255    HA   VAL  35           HA       VAL  35  -1.892  -6.742   3.558
  256    HB   VAL  35           HB       VAL  35   0.941  -6.715   2.479
  257   HG11  VAL  35          1HG1      VAL  35   0.033  -4.459   2.216
  258   HG12  VAL  35          2HG1      VAL  35  -0.620  -4.495   3.875
  259   HG13  VAL  35          3HG1      VAL  35   1.130  -4.495   3.590
  260   HG21  VAL  35          3HG2      VAL  35  -0.141  -6.539   5.324
  261   HG22  VAL  35          1HG2      VAL  35   0.690  -7.943   4.618
  262   HG23  VAL  35          2HG2      VAL  35   1.560  -6.429   4.841
  263    H    ARG  36           H        ARG  36  -2.752  -5.003   2.489
  264    HA   ARG  36           HA       ARG  36  -2.278  -4.668  -0.413
  265    HB2  ARG  36           2HB      ARG  36  -4.590  -4.141  -0.871
  266    HB3  ARG  36           3HB      ARG  36  -4.393  -5.803  -0.309
  267    HG2  ARG  36           2HG      ARG  36  -5.318  -5.268   1.868
  268    HG3  ARG  36           3HG      ARG  36  -5.367  -3.548   1.484
  269    HD2  ARG  36           2HD      ARG  36  -6.977  -3.996  -0.361
  270    HD3  ARG  36           3HD      ARG  36  -6.954  -5.715   0.053
  271    HE   ARG  36           HE       ARG  36  -7.676  -3.872   2.258
  272   HH11  ARG  36          1HH2      ARG  36  -9.132  -5.817  -0.339
  273   HH12  ARG  36          2HH2      ARG  36 -10.652  -5.821   0.496
  274   HH21  ARG  36          1HH1      ARG  36  -9.555  -3.915   3.139
  275   HH22  ARG  36          2HH1      ARG  36 -10.932  -4.733   2.405
  276    H    LEU  37           H        LEU  37  -2.021  -2.605  -1.055
  277    HA   LEU  37           HA       LEU  37  -2.116  -0.490   1.052
  278    HB2  LEU  37           2HB      LEU  37  -0.294  -0.494  -1.373
  279    HB3  LEU  37           3HB      LEU  37  -0.311   0.602   0.032
  280    HG   LEU  37           HG       LEU  37   1.587  -0.609   0.286
  281   HD11  LEU  37          1HD1      LEU  37   1.360  -1.671   2.387
  282   HD12  LEU  37          2HD1      LEU  37   0.147  -0.379   2.254
  283   HD13  LEU  37          3HD1      LEU  37  -0.349  -2.070   2.094
  284   HD21  LEU  37          3HD2      LEU  37   0.142  -3.289   0.044
  285   HD22  LEU  37          1HD2      LEU  37   1.059  -2.520  -1.264
  286   HD23  LEU  37          2HD2      LEU  37   1.868  -2.982   0.250
  287    H    SER  38           H        SER  38  -2.656   1.685   0.332
  288    HA   SER  38           HA       SER  38  -4.056   1.843  -2.272
  289    HB2  SER  38           2HB      SER  38  -5.778   1.330  -0.603
  290    HB3  SER  38           3HB      SER  38  -5.283   2.742   0.345
  291    HG   SER  38           HG       SER  38  -7.064   3.212  -0.961
  292    H    LYS  39           H        LYS  39  -4.151   3.844  -3.211
  293    HA   LYS  39           HA       LYS  39  -2.715   6.151  -1.917
  294    HB2  LYS  39           2HB      LYS  39  -1.653   5.432  -4.022
  295    HB3  LYS  39           3HB      LYS  39  -3.213   5.482  -4.842
  296    HG2  LYS  39           2HG      LYS  39  -2.058   7.405  -5.534
  297    HG3  LYS  39           3HG      LYS  39  -3.313   7.966  -4.432
  298    HD2  LYS  39           2HD      LYS  39  -1.577   8.132  -2.615
  299    HD3  LYS  39           3HD      LYS  39  -0.349   7.623  -3.790
  300    HE2  LYS  39           2HE      LYS  39  -0.989   9.563  -5.241
  301    HE3  LYS  39           3HE      LYS  39  -2.149  10.081  -4.003
  302    HZ1  LYS  39           3HZ      LYS  39  -0.264  10.340  -2.451
  303    HZ2  LYS  39           1HZ      LYS  39   0.785   9.862  -3.611
  304    HZ3  LYS  39           2HZ      LYS  39  -0.041  11.266  -3.783
  305    H    LYS  40           H        LYS  40  -3.921   7.918  -1.403
  306    HA   LYS  40           HA       LYS  40  -6.735   8.090  -2.356
  307    HB2  LYS  40           2HB      LYS  40  -6.445   8.033   0.011
  308    HB3  LYS  40           3HB      LYS  40  -5.316   9.372  -0.021
  309    HG2  LYS  40           2HG      LYS  40  -8.178   9.656  -1.067
  310    HG3  LYS  40           3HG      LYS  40  -7.832   9.742   0.652
  311    HD2  LYS  40           2HD      LYS  40  -6.848  11.629  -1.500
  312    HD3  LYS  40           3HD      LYS  40  -8.006  11.970  -0.228
  313    HE2  LYS  40           2HE      LYS  40  -5.036  11.408   0.164
  314    HE3  LYS  40           3HE      LYS  40  -5.774  13.002   0.136
  315    HZ1  LYS  40           3HZ      LYS  40  -6.494  10.934   2.145
  316    HZ2  LYS  40           1HZ      LYS  40  -5.417  12.130   2.412
  317    HZ3  LYS  40           2HZ      LYS  40  -6.990  12.492   2.128
  318    H    MET  41           H        MET  41  -7.007   9.249  -4.179
  319    HA   MET  41           HA       MET  41  -5.937  11.964  -4.374
  320    HB2  MET  41           2HB      MET  41  -4.675  11.703  -6.431
  321    HB3  MET  41           3HB      MET  41  -3.942  10.777  -5.128
  322    HG2  MET  41           2HG      MET  41  -5.001   8.703  -6.027
  323    HG3  MET  41           3HG      MET  41  -5.685   9.651  -7.353
  324    HE1  MET  41           3HE      MET  41  -3.090   7.534  -9.211
  325    HE2  MET  41           1HE      MET  41  -4.114   7.075  -7.831
  326    HE3  MET  41           2HE      MET  41  -4.777   8.105  -9.125
  327    H    VAL  42           H        VAL  42  -7.200  13.272  -5.773
  328    HA   VAL  42           HA       VAL  42  -9.536  12.276  -6.992
  329    HB   VAL  42           HB       VAL  42  -9.287  14.601  -6.476
  330   HG11  VAL  42          1HG1      VAL  42  -6.902  14.984  -7.024
  331   HG12  VAL  42          2HG1      VAL  42  -7.285  14.845  -8.754
  332   HG13  VAL  42          3HG1      VAL  42  -7.969  16.165  -7.791
  333   HG21  VAL  42          3HG2      VAL  42  -9.648  14.256  -9.463
  334   HG22  VAL  42          1HG2      VAL  42 -10.879  13.912  -8.220
  335   HG23  VAL  42          2HG2      VAL  42 -10.281  15.564  -8.444
  336    H    ASP  43           H        ASP  43 -10.013  11.271  -8.837
  337    HA   ASP  43           HA       ASP  43  -7.904  10.050 -10.367
  338    HB2  ASP  43           2HB      ASP  43 -10.049   8.958  -9.846
  339    HB3  ASP  43           3HB      ASP  43 -10.911  10.146 -10.817
  340    HA   PRO  44           HA       PRO  44  -7.381  13.484 -13.083
  341    HB2  PRO  44           2HB      PRO  44  -5.632  12.442 -14.939
  342    HB3  PRO  44           3HB      PRO  44  -5.184  12.761 -13.235
  343    HG2  PRO  44           2HG      PRO  44  -6.117  10.128 -14.441
  344    HG3  PRO  44           3HG      PRO  44  -4.663  10.424 -13.427
  345    HD2  PRO  44           2HD      PRO  44  -6.955   9.493 -12.361
  346    HD3  PRO  44           3HD      PRO  44  -5.966  10.704 -11.486
  347    H    GLU  45           H        GLU  45  -8.981  10.631 -14.242
  348    HA   GLU  45           HA       GLU  45  -9.852  12.037 -16.751
  349    HB2  GLU  45           2HB      GLU  45 -10.075   9.112 -15.949
  350    HB3  GLU  45           3HB      GLU  45 -10.711   9.831 -17.432
  351    HG2  GLU  45           2HG      GLU  45  -8.382  10.542 -18.048
  352    HG3  GLU  45           3HG      GLU  45  -7.773   9.665 -16.642
  353    H    LYS  46           H        LYS  46 -10.796  11.381 -13.568
  354    HA   LYS  46           HA       LYS  46 -13.672  11.996 -14.078
  355    HB2  LYS  46           2HB      LYS  46 -12.646   9.682 -12.398
  356    HB3  LYS  46           3HB      LYS  46 -14.332  10.179 -12.548
  357    HG2  LYS  46           2HG      LYS  46 -14.371   9.605 -14.912
  358    HG3  LYS  46           3HG      LYS  46 -12.667   9.135 -14.879
  359    HD2  LYS  46           2HD      LYS  46 -14.871   7.888 -13.208
  360    HD3  LYS  46           3HD      LYS  46 -14.232   7.197 -14.705
  361    HE2  LYS  46           2HE      LYS  46 -12.755   7.572 -12.064
  362    HE3  LYS  46           3HE      LYS  46 -13.256   6.048 -12.794
  363    HZ1  LYS  46           3HZ      LYS  46 -11.161   7.893 -13.830
  364    HZ2  LYS  46           1HZ      LYS  46 -10.911   6.451 -13.177
  365    HZ3  LYS  46           2HZ      LYS  46 -11.670   6.535 -14.633
  366    HA   PRO  47           HA       PRO  47 -11.824  14.113 -10.327
  367    HB2  PRO  47           2HB      PRO  47 -11.934  16.748 -11.056
  368    HB3  PRO  47           3HB      PRO  47 -10.565  15.663 -11.443
  369    HG2  PRO  47           2HG      PRO  47 -12.936  16.361 -13.220
  370    HG3  PRO  47           3HG      PRO  47 -11.188  16.410 -13.636
  371    HD2  PRO  47           2HD      PRO  47 -12.742  14.282 -14.283
  372    HD3  PRO  47           3HD      PRO  47 -11.044  14.077 -13.752
  373    H    GLN  48           H        GLN  48 -14.779  13.925 -11.932
  374    HA   GLN  48           HA       GLN  48 -16.360  15.627 -10.111
  375    HB2  GLN  48           2HB      GLN  48 -17.176  13.523 -12.165
  376    HB3  GLN  48           3HB      GLN  48 -18.280  14.577 -11.285
  377    HG2  GLN  48           2HG      GLN  48 -16.172  15.480 -13.305
  378    HG3  GLN  48           3HG      GLN  48 -17.910  15.397 -13.566
  379   HE21  GLN  48          2HE2      GLN  48 -19.312  16.862 -12.137
  380   HE22  GLN  48          1HE2      GLN  48 -18.597  18.393 -11.655
  381    H    LEU  49           H        LEU  49 -15.181  12.306 -10.317
  382    HA   LEU  49           HA       LEU  49 -16.864  11.149  -8.299
  383    HB2  LEU  49           2HB      LEU  49 -15.073  10.377 -10.270
  384    HB3  LEU  49           3HB      LEU  49 -14.118  10.078  -8.838
  385    HG   LEU  49           HG       LEU  49 -16.964   9.018  -9.183
  386   HD11  LEU  49          1HD1      LEU  49 -14.330   7.794 -10.083
  387   HD12  LEU  49          2HD1      LEU  49 -15.916   6.969 -10.093
  388   HD13  LEU  49          3HD1      LEU  49 -15.645   8.398 -11.118
  389   HD21  LEU  49          3HD2      LEU  49 -14.582   8.091  -7.521
  390   HD22  LEU  49          1HD2      LEU  49 -16.069   8.840  -6.905
  391   HD23  LEU  49          2HD2      LEU  49 -16.138   7.235  -7.651
  392    H    GLY  50           H        GLY  50 -13.954  13.131  -8.174
  393    HA2  GLY  50           2HA      GLY  50 -12.939  14.157  -6.348
  394    HA3  GLY  50           3HA      GLY  50 -13.962  13.234  -5.244
  395    H    MET  51           H        MET  51 -11.895  13.000  -4.089
  396    HA   MET  51           HA       MET  51  -9.697  11.575  -5.047
  397    HB2  MET  51           2HB      MET  51 -10.479  11.688  -2.135
  398    HB3  MET  51           3HB      MET  51  -8.874  11.626  -2.873
  399    HG2  MET  51           2HG      MET  51  -9.619  13.927  -3.977
  400    HG3  MET  51           3HG      MET  51 -10.827  13.932  -2.696
  401    HE1  MET  51           3HE      MET  51  -7.083  13.220  -3.281
  402    HE2  MET  51           1HE      MET  51  -7.370  14.884  -3.819
  403    HE3  MET  51           2HE      MET  51  -6.308  14.577  -2.418
  404    H    ILE  52           H        ILE  52  -9.468   9.520  -5.604
  405    HA   ILE  52           HA       ILE  52 -11.392   7.504  -4.662
  406    HB   ILE  52           HB       ILE  52 -10.364   6.031  -6.399
  407   HG12  ILE  52          2HG1      ILE  52  -9.104   8.498  -7.619
  408   HG13  ILE  52          3HG1      ILE  52  -8.178   7.437  -6.547
  409   HG21  ILE  52          1HG2      ILE  52 -11.580   8.623  -7.407
  410   HG22  ILE  52          2HG2      ILE  52 -11.558   7.060  -8.252
  411   HG23  ILE  52          3HG2      ILE  52 -12.453   7.221  -6.732
  412   HD11  ILE  52          3HD1      ILE  52  -7.838   6.873  -8.914
  413   HD12  ILE  52          1HD1      ILE  52  -8.578   5.525  -8.014
  414   HD13  ILE  52          2HD1      ILE  52  -9.559   6.527  -9.106
  415    H    ASP  53           H        ASP  53 -10.663   5.371  -4.222
  416    HA   ASP  53           HA       ASP  53  -8.161   5.262  -2.573
  417    HB2  ASP  53           2HB      ASP  53 -10.752   3.679  -2.345
  418    HB3  ASP  53           3HB      ASP  53  -9.271   3.303  -1.469
  419    H    ARG  54           H        ARG  54  -6.755   4.763  -4.160
  420    HA   ARG  54           HA       ARG  54  -7.360   2.677  -6.196
  421    HB2  ARG  54           2HB      ARG  54  -6.185   5.145  -6.398
  422    HB3  ARG  54           3HB      ARG  54  -4.753   4.115  -6.237
  423    HG2  ARG  54           2HG      ARG  54  -5.340   2.851  -8.152
  424    HG3  ARG  54           3HG      ARG  54  -6.954   3.591  -8.262
  425    HD2  ARG  54           2HD      ARG  54  -5.944   5.753  -8.766
  426    HD3  ARG  54           3HD      ARG  54  -4.320   5.061  -8.648
  427    HE   ARG  54           HE       ARG  54  -6.207   4.820 -10.867
  428   HH11  ARG  54          1HH2      ARG  54  -3.283   3.342  -9.525
  429   HH12  ARG  54          2HH2      ARG  54  -3.050   2.390 -10.972
  430   HH21  ARG  54          1HH1      ARG  54  -5.680   3.700 -12.705
  431   HH22  ARG  54          2HH1      ARG  54  -4.258   2.700 -12.732
  432    H    TRP  55           H        TRP  55  -7.075   0.637  -5.431
  433    HA   TRP  55           HA       TRP  55  -5.078   0.105  -3.379
  434    HB2  TRP  55           2HB      TRP  55  -7.133  -1.679  -4.690
  435    HB3  TRP  55           3HB      TRP  55  -6.017  -2.215  -3.443
  436    HD1  TRP  55           HD1      TRP  55  -9.189  -0.232  -3.913
  437    HE1  TRP  55           HE1      TRP  55 -10.205   0.388  -1.645
  438    HE3  TRP  55           HE3      TRP  55  -5.322  -1.678  -0.843
  439    HZ2  TRP  55           HZ2      TRP  55  -9.430   0.336   1.128
  440    HZ3  TRP  55           HZ3      TRP  55  -5.467  -1.280   1.601
  441    HH2  TRP  55           HH2      TRP  55  -7.518  -0.307   2.599
  442    H    TYR  56           H        TYR  56  -3.534  -1.563  -3.408
  443    HA   TYR  56           HA       TYR  56  -2.376  -2.519  -5.960
  444    HB2  TYR  56           2HB      TYR  56  -0.925  -0.951  -3.786
  445    HB3  TYR  56           3HB      TYR  56  -0.180  -1.653  -5.220
  446    HD1  TYR  56           HD2      TYR  56  -0.915  -0.826  -7.494
  447    HD2  TYR  56           HD1      TYR  56  -1.859   1.258  -3.860
  448    HE1  TYR  56           HE2      TYR  56  -1.508   1.230  -8.824
  449    HE2  TYR  56           HE1      TYR  56  -2.475   3.275  -5.176
  450    HH   TYR  56           HH       TYR  56  -2.608   4.224  -7.231
  451    H    HIS  57           H        HIS  57  -0.916  -4.187  -5.741
  452    HA   HIS  57           HA       HIS  57  -0.907  -5.998  -3.419
  453    HB2  HIS  57           2HB      HIS  57   0.846  -5.915  -5.886
  454    HB3  HIS  57           3HB      HIS  57   0.971  -7.128  -4.643
  455    HD2  HIS  57           HD2      HIS  57  -1.404  -8.596  -4.153
  456    HE1  HIS  57           HE1      HIS  57  -2.615  -8.410  -8.226
  457    HE2  HIS  57           HE2      HIS  57  -2.924  -9.649  -6.041
  458    HA   PRO  58           HA       PRO  58   2.719  -4.196  -1.320
  459    HB2  PRO  58           2HB      PRO  58   3.764  -7.014  -1.129
  460    HB3  PRO  58           3HB      PRO  58   3.620  -5.769   0.155
  461    HG2  PRO  58           2HG      PRO  58   1.791  -7.744   0.029
  462    HG3  PRO  58           3HG      PRO  58   1.237  -6.046   0.247
  463    HD2  PRO  58           2HD      PRO  58   1.396  -7.637  -2.336
  464    HD3  PRO  58           3HD      PRO  58   0.014  -6.720  -1.672
  465    H    GLY  59           H        GLY  59   3.318  -6.314  -4.065
  466    HA2  GLY  59           2HA      GLY  59   6.085  -5.368  -4.486
  467    HA3  GLY  59           3HA      GLY  59   5.119  -6.370  -5.576
  468    H    CYS  60           HN       CYS  60   2.865  -4.867  -6.030
  469    HA   CYS  60           HA       CYS  60   3.827  -3.212  -8.049
  470    HB2  CYS  60           2HB      CYS  60   1.004  -3.409  -6.949
  471    HB3  CYS  60           3HB      CYS  60   1.466  -2.868  -8.571
  472    H    PHE  61           H        PHE  61   2.369  -2.250  -4.903
  473    HA   PHE  61           HA       PHE  61   2.151   0.510  -5.573
  474    HB2  PHE  61           2HB      PHE  61   1.453   0.808  -3.478
  475    HB3  PHE  61           3HB      PHE  61   1.381  -0.949  -3.456
  476    HD1  PHE  61           HD1      PHE  61   3.231  -2.259  -2.472
  477    HD2  PHE  61           HD2      PHE  61   3.056   2.010  -2.143
  478    HE1  PHE  61           HE1      PHE  61   4.734  -2.365  -0.462
  479    HE2  PHE  61           HE2      PHE  61   4.544   1.925  -0.126
  480    HZ   PHE  61           HZ       PHE  61   5.372  -0.265   0.710
  481    H    VAL  62           H        VAL  62   4.947  -1.355  -4.391
  482    HA   VAL  62           HA       VAL  62   6.791   0.869  -4.362
  483    HB   VAL  62           HB       VAL  62   7.475  -2.061  -4.751
  484   HG11  VAL  62          1HG1      VAL  62   9.117   0.324  -3.792
  485   HG12  VAL  62          2HG1      VAL  62   9.647  -1.372  -3.758
  486   HG13  VAL  62          3HG1      VAL  62   9.350  -0.579  -5.303
  487   HG21  VAL  62          3HG2      VAL  62   7.039  -0.404  -2.236
  488   HG22  VAL  62          1HG2      VAL  62   6.244  -1.915  -2.707
  489   HG23  VAL  62          2HG2      VAL  62   7.941  -1.933  -2.250
  490    H    LYS  63           H        LYS  63   5.912  -1.484  -6.938
  491    HA   LYS  63           HA       LYS  63   7.766  -0.619  -8.888
  492    HB2  LYS  63           2HB      LYS  63   6.354  -2.642  -9.076
  493    HB3  LYS  63           3HB      LYS  63   4.916  -1.633  -9.246
  494    HG2  LYS  63           2HG      LYS  63   5.765  -0.721 -11.380
  495    HG3  LYS  63           3HG      LYS  63   7.220  -1.709 -11.214
  496    HD2  LYS  63           2HD      LYS  63   5.635  -2.755 -12.754
  497    HD3  LYS  63           3HD      LYS  63   5.883  -3.759 -11.332
  498    HE2  LYS  63           2HE      LYS  63   3.552  -3.789 -11.992
  499    HE3  LYS  63           3HE      LYS  63   3.709  -3.062 -10.397
  500    HZ1  LYS  63           3HZ      LYS  63   2.194  -1.889 -12.021
  501    HZ2  LYS  63           1HZ      LYS  63   3.283  -0.913 -11.320
  502    HZ3  LYS  63           2HZ      LYS  63   3.505  -1.429 -12.872
  503    H    ASN  64           H        ASN  64   4.637   0.851  -8.037
  504    HA   ASN  64           HA       ASN  64   5.184   3.100  -9.917
  505    HB2  ASN  64           2HB      ASN  64   2.571   3.452  -9.117
  506    HB3  ASN  64           3HB      ASN  64   3.173   2.853 -10.638
  507   HD21  ASN  64          1HD2      ASN  64   1.641   1.913  -7.599
  508   HD22  ASN  64          2HD2      ASN  64   1.188   0.331  -8.216
  509    H    ARG  65           H        ARG  65   6.209   2.657  -6.897
  510    HA   ARG  65           HA       ARG  65   5.067   4.658  -5.400
  511    HB2  ARG  65           2HB      ARG  65   6.701   4.406  -3.887
  512    HB3  ARG  65           3HB      ARG  65   6.945   2.948  -4.783
  513    HG2  ARG  65           2HG      ARG  65   8.573   5.504  -5.205
  514    HG3  ARG  65           3HG      ARG  65   9.028   4.228  -4.079
  515    HD2  ARG  65           2HD      ARG  65   9.438   2.655  -5.748
  516    HD3  ARG  65           3HD      ARG  65   8.430   3.512  -6.921
  517    HE   ARG  65           HE       ARG  65  10.949   4.811  -6.017
  518   HH11  ARG  65          1HH2      ARG  65   9.353   3.076  -8.630
  519   HH12  ARG  65          2HH2      ARG  65  10.166   4.051  -9.851
  520   HH21  ARG  65          1HH1      ARG  65  12.182   5.722  -7.679
  521   HH22  ARG  65          2HH1      ARG  65  11.838   5.266  -9.329
  522    H    GLU  66           H        GLU  66   7.376   5.210  -7.987
  523    HA   GLU  66           HA       GLU  66   7.790   8.005  -7.463
  524    HB2  GLU  66           2HB      GLU  66   8.680   8.108  -9.733
  525    HB3  GLU  66           3HB      GLU  66   9.323   6.731  -8.850
  526    HG2  GLU  66           2HG      GLU  66   7.693   5.233 -10.048
  527    HG3  GLU  66           3HG      GLU  66   7.101   6.622 -10.950
  528    H    GLU  67           H        GLU  67   5.212   6.251  -9.043
  529    HA   GLU  67           HA       GLU  67   3.910   8.608 -10.189
  530    HB2  GLU  67           2HB      GLU  67   2.693   5.860  -9.884
  531    HB3  GLU  67           3HB      GLU  67   2.238   7.170 -10.974
  532    HG2  GLU  67           2HG      GLU  67   4.691   6.828 -11.916
  533    HG3  GLU  67           3HG      GLU  67   4.554   5.259 -11.099
  534    H    LEU  68           H        LEU  68   3.542   6.362  -7.438
  535    HA   LEU  68           HA       LEU  68   1.233   7.712  -6.320
  536    HB2  LEU  68           2HB      LEU  68   3.095   5.759  -4.946
  537    HB3  LEU  68           3HB      LEU  68   1.456   6.177  -4.479
  538    HG   LEU  68           HG       LEU  68   2.352   4.538  -6.871
  539   HD11  LEU  68          1HD1      LEU  68   0.567   3.907  -4.508
  540   HD12  LEU  68          2HD1      LEU  68   0.951   2.806  -5.842
  541   HD13  LEU  68          3HD1      LEU  68   2.242   3.354  -4.758
  542   HD21  LEU  68          3HD2      LEU  68   0.550   5.945  -7.703
  543   HD22  LEU  68          1HD2      LEU  68   0.057   4.271  -7.546
  544   HD23  LEU  68          2HD2      LEU  68  -0.476   5.459  -6.325
  545    H    GLY  69           H        GLY  69   4.553   8.552  -6.201
  546    HA2  GLY  69           2HA      GLY  69   5.147  10.768  -5.668
  547    HA3  GLY  69           3HA      GLY  69   3.772  10.910  -4.577
  548    H    PHE  70           H        PHE  70   5.870   8.119  -4.253
  549    HA   PHE  70           HA       PHE  70   6.513   8.750  -1.506
  550    HB2  PHE  70           2HB      PHE  70   7.334   6.597  -3.458
  551    HB3  PHE  70           3HB      PHE  70   8.105   6.725  -1.896
  552    HD1  PHE  70           HD1      PHE  70   4.845   6.035  -3.553
  553    HD2  PHE  70           HD2      PHE  70   7.072   6.085   0.110
  554    HE1  PHE  70           HE1      PHE  70   3.050   4.703  -2.447
  555    HE2  PHE  70           HE2      PHE  70   5.295   4.782   1.240
  556    HZ   PHE  70           HZ       PHE  70   3.282   4.067  -0.059
  557    H    ARG  71           H        ARG  71   8.248   9.571  -0.583
  558    HA   ARG  71           HA       ARG  71  10.873   9.555  -1.939
  559    HB2  ARG  71           2HB      ARG  71   9.782  11.873  -0.284
  560    HB3  ARG  71           3HB      ARG  71  11.446  11.726  -0.843
  561    HG2  ARG  71           2HG      ARG  71  10.746  11.861  -3.180
  562    HG3  ARG  71           3HG      ARG  71   9.034  11.897  -2.708
  563    HD2  ARG  71           2HD      ARG  71   9.365  13.973  -1.477
  564    HD3  ARG  71           3HD      ARG  71  11.085  13.964  -1.863
  565    HE   ARG  71           HE       ARG  71  10.652  14.584  -4.077
  566   HH11  ARG  71          1HH2      ARG  71   7.555  14.236  -2.435
  567   HH12  ARG  71          2HH2      ARG  71   6.678  14.829  -3.818
  568   HH21  ARG  71          1HH1      ARG  71   9.459  15.401  -5.745
  569   HH22  ARG  71          2HH1      ARG  71   7.731  15.515  -5.611
  570    HA   PRO  72           HA       PRO  72  12.138   7.440   1.700
  571    HB2  PRO  72           2HB      PRO  72  14.511   9.305   1.877
  572    HB3  PRO  72           3HB      PRO  72  14.474   7.515   1.961
  573    HG2  PRO  72           2HG      PRO  72  15.215   8.732  -0.332
  574    HG3  PRO  72           3HG      PRO  72  14.075   7.346  -0.400
  575    HD2  PRO  72           2HD      PRO  72  13.434  10.312  -0.509
  576    HD3  PRO  72           3HD      PRO  72  12.827   8.981  -1.539
  577    H    GLU  73           H        GLU  73  12.095  10.981   2.009
  578    HA   GLU  73           HA       GLU  73  12.162  11.102   4.870
  579    HB2  GLU  73           2HB      GLU  73  11.476  13.397   4.604
  580    HB3  GLU  73           3HB      GLU  73  12.696  12.987   3.400
  581    HG2  GLU  73           2HG      GLU  73  10.859  12.686   1.702
  582    HG3  GLU  73           3HG      GLU  73   9.693  13.216   2.913
  583    H    TYR  74           H        TYR  74   9.626   9.985   2.839
  584    HA   TYR  74           HA       TYR  74   7.955   9.512   5.158
  585    HB2  TYR  74           2HB      TYR  74   5.883  10.460   4.000
  586    HB3  TYR  74           3HB      TYR  74   6.961  11.519   4.856
  587    HD1  TYR  74           HD2      TYR  74   7.275  10.285   1.274
  588    HD2  TYR  74           HD1      TYR  74   6.626  13.608   3.948
  589    HE1  TYR  74           HE2      TYR  74   7.310  11.849  -0.656
  590    HE2  TYR  74           HE1      TYR  74   6.686  15.167   2.018
  591    HH   TYR  74           HH       TYR  74   6.884  15.380  -0.239
  592    H    SER  75           H        SER  75   9.121   7.523   4.263
  593    HA   SER  75           HA       SER  75   8.003   6.319   1.896
  594    HB2  SER  75           2HB      SER  75  10.389   6.234   2.818
  595    HB3  SER  75           3HB      SER  75   9.778   4.934   3.873
  596    HG   SER  75           HG       SER  75  10.669   4.414   1.675
  597    H    ALA  76           H        ALA  76   7.920   3.577   2.630
  598    HA   ALA  76           HA       ALA  76   5.205   3.178   3.038
  599    HB1  ALA  76           1HB      ALA  76   6.828   1.518   2.118
  600    HB2  ALA  76           2HB      ALA  76   7.438   1.226   3.766
  601    HB3  ALA  76           3HB      ALA  76   5.766   0.822   3.355
  602    H    SER  77           H        SER  77   7.506   3.749   5.627
  603    HA   SER  77           HA       SER  77   5.949   2.587   7.766
  604    HB2  SER  77           2HB      SER  77   7.559   3.785   9.208
  605    HB3  SER  77           3HB      SER  77   8.364   2.850   7.938
  606    HG   SER  77           HG       SER  77   9.216   4.990   8.120
  607    H    GLN  78           H        GLN  78   5.399   5.376   5.887
  608    HA   GLN  78           HA       GLN  78   3.596   6.467   7.951
  609    HB2  GLN  78           2HB      GLN  78   5.070   7.959   5.759
  610    HB3  GLN  78           3HB      GLN  78   3.857   8.651   6.843
  611    HG2  GLN  78           2HG      GLN  78   5.274   7.921   8.815
  612    HG3  GLN  78           3HG      GLN  78   6.543   7.466   7.677
  613   HE21  GLN  78          2HE2      GLN  78   4.563  10.299   8.743
  614   HE22  GLN  78          1HE2      GLN  78   5.823  11.471   8.339
  615    H    LEU  79           H        LEU  79   3.015   4.279   6.153
  616    HA   LEU  79           HA       LEU  79   0.687   5.318   4.637
  617    HB2  LEU  79           2HB      LEU  79   1.720   2.520   5.328
  618    HB3  LEU  79           3HB      LEU  79   0.210   2.790   4.485
  619    HG   LEU  79           HG       LEU  79   2.762   3.870   3.276
  620   HD11  LEU  79          1HD1      LEU  79   1.807   1.019   2.830
  621   HD12  LEU  79          2HD1      LEU  79   3.182   1.830   2.073
  622   HD13  LEU  79          3HD1      LEU  79   3.214   1.439   3.799
  623   HD21  LEU  79          3HD2      LEU  79   0.416   4.287   2.386
  624   HD22  LEU  79          1HD2      LEU  79   1.566   3.619   1.227
  625   HD23  LEU  79          2HD2      LEU  79   0.343   2.579   1.969
  626    H    LYS  80           H        LYS  80  -1.396   5.328   5.417
  627    HA   LYS  80           HA       LYS  80  -1.983   5.332   8.185
  628    HB2  LYS  80           2HB      LYS  80  -3.963   4.554   5.995
  629    HB3  LYS  80           3HB      LYS  80  -4.343   5.100   7.624
  630    HG2  LYS  80           2HG      LYS  80  -3.176   7.270   7.066
  631    HG3  LYS  80           3HG      LYS  80  -3.113   6.730   5.381
  632    HD2  LYS  80           2HD      LYS  80  -5.598   7.176   7.112
  633    HD3  LYS  80           3HD      LYS  80  -5.011   8.267   5.853
  634    HE2  LYS  80           2HE      LYS  80  -5.442   6.575   4.125
  635    HE3  LYS  80           3HE      LYS  80  -5.951   5.407   5.358
  636    HZ1  LYS  80           3HZ      LYS  80  -7.796   6.885   5.919
  637    HZ2  LYS  80           1HZ      LYS  80  -7.332   7.980   4.800
  638    HZ3  LYS  80           2HZ      LYS  80  -7.861   6.508   4.335
  639    H    GLY  81           H        GLY  81  -2.405   3.795   9.678
  640    HA2  GLY  81           2HA      GLY  81  -2.890   1.748  10.623
  641    HA3  GLY  81           3HA      GLY  81  -3.459   1.176   9.053
  642    H    PHE  82           H        PHE  82  -0.190   2.219   8.694
  643    HA   PHE  82           HA       PHE  82   0.853  -0.359   8.227
  644    HB2  PHE  82           2HB      PHE  82   1.915   1.549   7.303
  645    HB3  PHE  82           3HB      PHE  82   2.053   2.351   8.858
  646    HD1  PHE  82           HD2      PHE  82   3.741   1.727  10.491
  647    HD2  PHE  82           HD1      PHE  82   3.669  -0.010   6.551
  648    HE1  PHE  82           HE2      PHE  82   6.111   1.008  10.768
  649    HE2  PHE  82           HE1      PHE  82   6.037  -0.700   6.816
  650    HZ   PHE  82           HZ       PHE  82   7.250  -0.211   8.919
  651    H    SER  83           H        SER  83   1.192   1.734  11.144
  652    HA   SER  83           HA       SER  83   2.623  -0.071  12.766
  653    HB2  SER  83           2HB      SER  83   0.628   2.074  13.591
  654    HB3  SER  83           3HB      SER  83   1.862   1.346  14.637
  655    HG   SER  83           HG       SER  83   2.434   3.393  13.693
  656    H    LEU  84           H        LEU  84  -0.743  -0.202  11.890
  657    HA   LEU  84           HA       LEU  84  -1.538  -1.906  14.178
  658    HB2  LEU  84           2HB      LEU  84  -3.047  -0.506  11.946
  659    HB3  LEU  84           3HB      LEU  84  -3.784  -1.770  12.910
  660    HG   LEU  84           HG       LEU  84  -3.446  -0.497  14.977
  661   HD11  LEU  84          1HD1      LEU  84  -1.537   0.930  14.520
  662   HD12  LEU  84          2HD1      LEU  84  -2.384   1.707  13.155
  663   HD13  LEU  84          3HD1      LEU  84  -2.933   1.955  14.827
  664   HD21  LEU  84          3HD2      LEU  84  -4.848   1.067  12.766
  665   HD22  LEU  84          1HD2      LEU  84  -5.532  -0.307  13.664
  666   HD23  LEU  84          2HD2      LEU  84  -5.162   1.200  14.512
  667    H    LEU  85           H        LEU  85  -0.132  -2.432  11.134
  668    HA   LEU  85           HA       LEU  85  -1.243  -5.100  10.624
  669    HB2  LEU  85           2HB      LEU  85   1.341  -3.759   9.744
  670    HB3  LEU  85           3HB      LEU  85   0.776  -5.300   9.140
  671    HG   LEU  85           HG       LEU  85  -0.811  -2.734   8.749
  672   HD11  LEU  85          1HD1      LEU  85   1.105  -4.170   6.855
  673   HD12  LEU  85          2HD1      LEU  85   0.110  -2.751   6.467
  674   HD13  LEU  85          3HD1      LEU  85   1.423  -2.614   7.648
  675   HD21  LEU  85          3HD2      LEU  85  -1.000  -5.442   7.407
  676   HD22  LEU  85          1HD2      LEU  85  -2.184  -4.716   8.524
  677   HD23  LEU  85          2HD2      LEU  85  -1.889  -3.980   6.946
  678    H    ALA  86           H        ALA  86   0.788  -6.800  10.472
  679    HA   ALA  86           HA       ALA  86   1.775  -7.262  13.221
  680    HB1  ALA  86           1HB      ALA  86   2.081  -8.951  10.706
  681    HB2  ALA  86           2HB      ALA  86   2.443  -9.437  12.375
  682    HB3  ALA  86           3HB      ALA  86   0.761  -9.130  11.884
  683    H    THR  87           H        THR  87   3.990  -7.193  13.714
  684    HA   THR  87           HA       THR  87   5.467  -5.217  12.339
  685    HB   THR  87           HB       THR  87   6.419  -7.220  14.368
  686    HG1  THR  87           1HG      THR  87   5.769  -5.600  15.813
  687   HG21  THR  87          1HG2      THR  87   8.343  -5.988  13.421
  688   HG22  THR  87          2HG2      THR  87   7.487  -4.445  13.635
  689   HG23  THR  87          3HG2      THR  87   8.003  -5.392  15.050
  690    H    GLU  88           H        GLU  88   5.684  -8.734  12.013
  691    HA   GLU  88           HA       GLU  88   8.009  -8.795  10.347
  692    HB2  GLU  88           2HB      GLU  88   7.253 -10.972   9.664
  693    HB3  GLU  88           3HB      GLU  88   7.010 -10.761  11.400
  694    HG2  GLU  88           2HG      GLU  88   4.575 -10.274  10.952
  695    HG3  GLU  88           3HG      GLU  88   4.855 -10.622   9.244
  696    H    ASP  89           H        ASP  89   4.687  -7.808   9.600
  697    HA   ASP  89           HA       ASP  89   5.247  -7.698   6.688
  698    HB2  ASP  89           2HB      ASP  89   2.789  -7.042   8.335
  699    HB3  ASP  89           3HB      ASP  89   2.934  -6.686   6.622
  700    H    LYS  90           H        LYS  90   4.950  -5.447   9.438
  701    HA   LYS  90           HA       LYS  90   5.282  -2.971   8.020
  702    HB2  LYS  90           2HB      LYS  90   6.327  -3.814  10.756
  703    HB3  LYS  90           3HB      LYS  90   6.286  -2.158  10.186
  704    HG2  LYS  90           2HG      LYS  90   3.889  -2.129  10.091
  705    HG3  LYS  90           3HG      LYS  90   3.787  -3.859  10.410
  706    HD2  LYS  90           2HD      LYS  90   5.199  -3.155  12.602
  707    HD3  LYS  90           3HD      LYS  90   4.375  -1.615  12.319
  708    HE2  LYS  90           2HE      LYS  90   2.220  -2.659  12.508
  709    HE3  LYS  90           3HE      LYS  90   2.908  -4.265  12.312
  710    HZ1  LYS  90           3HZ      LYS  90   3.964  -4.068  14.489
  711    HZ2  LYS  90           1HZ      LYS  90   3.333  -2.558  14.695
  712    HZ3  LYS  90           2HZ      LYS  90   2.343  -3.845  14.605
  713    H    GLU  91           H        GLU  91   7.706  -5.248   9.304
  714    HA   GLU  91           HA       GLU  91  10.017  -3.886   8.243
  715    HB2  GLU  91           2HB      GLU  91   9.516  -6.780   9.044
  716    HB3  GLU  91           3HB      GLU  91  11.091  -6.178   8.530
  717    HG2  GLU  91           2HG      GLU  91   9.532  -5.041  10.886
  718    HG3  GLU  91           3HG      GLU  91  10.758  -6.297  11.019
  719    H    ALA  92           H        ALA  92   7.951  -6.506   6.851
  720    HA   ALA  92           HA       ALA  92   9.520  -6.819   4.496
  721    HB1  ALA  92           1HB      ALA  92   6.549  -7.290   4.878
  722    HB2  ALA  92           2HB      ALA  92   7.580  -7.973   3.603
  723    HB3  ALA  92           3HB      ALA  92   7.851  -8.434   5.297
  724    H    LEU  93           H        LEU  93   6.901  -4.438   5.150
  725    HA   LEU  93           HA       LEU  93   6.826  -3.403   2.442
  726    HB2  LEU  93           2HB      LEU  93   6.032  -2.276   5.152
  727    HB3  LEU  93           3HB      LEU  93   5.771  -1.416   3.638
  728    HG   LEU  93           HG       LEU  93   4.559  -4.144   4.250
  729   HD11  LEU  93          1HD1      LEU  93   3.706  -2.416   5.778
  730   HD12  LEU  93          2HD1      LEU  93   3.341  -1.354   4.395
  731   HD13  LEU  93          3HD1      LEU  93   2.466  -2.885   4.611
  732   HD21  LEU  93          3HD2      LEU  93   3.958  -2.113   2.064
  733   HD22  LEU  93          1HD2      LEU  93   4.750  -3.690   1.831
  734   HD23  LEU  93          2HD2      LEU  93   3.070  -3.623   2.364
  735    H    LYS  94           H        LYS  94   8.628  -2.437   5.401
  736    HA   LYS  94           HA       LYS  94  10.112  -0.276   4.203
  737    HB2  LYS  94           2HB      LYS  94  10.654  -2.116   6.567
  738    HB3  LYS  94           3HB      LYS  94  11.730  -0.793   6.106
  739    HG2  LYS  94           2HG      LYS  94  10.085   0.878   6.574
  740    HG3  LYS  94           3HG      LYS  94   8.784  -0.312   6.691
  741    HD2  LYS  94           2HD      LYS  94   9.466   0.471   8.921
  742    HD3  LYS  94           3HD      LYS  94   9.734  -1.267   8.715
  743    HE2  LYS  94           2HE      LYS  94  12.165  -0.736   8.192
  744    HE3  LYS  94           3HE      LYS  94  11.831   0.948   8.626
  745    HZ1  LYS  94           3HZ      LYS  94  11.171   0.112  10.855
  746    HZ2  LYS  94           1HZ      LYS  94  11.517  -1.429  10.397
  747    HZ3  LYS  94           2HZ      LYS  94  12.714  -0.323  10.512
  748    H    LYS  95           H        LYS  95  10.811  -3.766   4.454
  749    HA   LYS  95           HA       LYS  95  13.432  -3.650   3.411
  750    HB2  LYS  95           2HB      LYS  95  11.363  -5.850   3.551
  751    HB3  LYS  95           3HB      LYS  95  12.898  -6.138   2.732
  752    HG2  LYS  95           2HG      LYS  95  14.192  -5.664   4.684
  753    HG3  LYS  95           3HG      LYS  95  12.792  -5.069   5.579
  754    HD2  LYS  95           2HD      LYS  95  11.757  -7.329   5.469
  755    HD3  LYS  95           3HD      LYS  95  13.181  -7.949   4.625
  756    HE2  LYS  95           2HE      LYS  95  13.201  -6.684   7.409
  757    HE3  LYS  95           3HE      LYS  95  13.089  -8.420   7.108
  758    HZ1  LYS  95           3HZ      LYS  95  15.374  -7.781   7.536
  759    HZ2  LYS  95           1HZ      LYS  95  15.258  -8.310   5.999
  760    HZ3  LYS  95           2HZ      LYS  95  15.382  -6.708   6.309
  761    H    GLN  96           H        GLN  96  10.461  -3.411   1.690
  762    HA   GLN  96           HA       GLN  96  11.777  -3.700  -0.973
  763    HB2  GLN  96           2HB      GLN  96   8.859  -3.480  -0.145
  764    HB3  GLN  96           3HB      GLN  96   9.437  -3.591  -1.816
  765    HG2  GLN  96           2HG      GLN  96  10.327  -5.803  -1.479
  766    HG3  GLN  96           3HG      GLN  96  10.049  -5.734   0.262
  767   HE21  GLN  96          2HE2      GLN  96   7.835  -5.741   1.069
  768   HE22  GLN  96          1HE2      GLN  96   6.561  -6.441   0.060
  769    H    LEU  97           H        LEU  97  10.105  -1.325   1.104
  770    HA   LEU  97           HA       LEU  97  11.254   0.907  -0.471
  771    HB2  LEU  97           2HB      LEU  97   9.096   0.424  -1.423
  772    HB3  LEU  97           3HB      LEU  97   8.312   0.467   0.151
  773    HG   LEU  97           HG       LEU  97   8.576   2.849   0.315
  774   HD11  LEU  97          1HD1      LEU  97  10.238   2.693  -2.243
  775   HD12  LEU  97          2HD1      LEU  97   9.651   4.196  -1.484
  776   HD13  LEU  97          3HD1      LEU  97  10.820   3.187  -0.635
  777   HD21  LEU  97          3HD2      LEU  97   7.781   2.110  -2.522
  778   HD22  LEU  97          1HD2      LEU  97   6.747   2.003  -1.082
  779   HD23  LEU  97          2HD2      LEU  97   7.315   3.580  -1.641
  780    HA   PRO  98           HA       PRO  98  11.555   1.730   4.036
  781    HB2  PRO  98           2HB      PRO  98  14.287   2.017   4.238
  782    HB3  PRO  98           3HB      PRO  98  13.425   0.461   4.300
  783    HG2  PRO  98           2HG      PRO  98  15.106   1.555   2.110
  784    HG3  PRO  98           3HG      PRO  98  14.590  -0.132   2.424
  785    HD2  PRO  98           2HD      PRO  98  13.458   1.798   0.563
  786    HD3  PRO  98           3HD      PRO  98  13.035   0.080   0.805
  787    H    GLY  99           H        GLY  99  12.036   3.694   5.254
  788    HA2  GLY  99           2HA      GLY  99  12.777   6.105   3.658
  789    HA3  GLY  99           3HA      GLY  99  11.605   6.092   4.972
  790    H    VAL 100           H        VAL 100  13.038   7.872   5.495
  791    HA   VAL 100           HA       VAL 100  15.660   7.435   6.673
  792    HB   VAL 100           HB       VAL 100  13.743   9.802   6.826
  793   HG11  VAL 100          1HG1      VAL 100  16.660   9.605   7.706
  794   HG12  VAL 100          2HG1      VAL 100  15.738  11.115   7.547
  795   HG13  VAL 100          3HG1      VAL 100  15.250   9.925   8.752
  796   HG21  VAL 100          3HG2      VAL 100  16.273   9.361   5.176
  797   HG22  VAL 100          1HG2      VAL 100  14.614   9.363   4.546
  798   HG23  VAL 100          2HG2      VAL 100  15.296  10.846   5.215
  799    H    LYS 101           H        LYS 101  16.266   7.050   8.609
  800    HA   LYS 101           HA       LYS 101  14.307   6.918  10.853
  801    HB2  LYS 101           2HB      LYS 101  14.843   4.694   9.464
  802    HB3  LYS 101           3HB      LYS 101  16.303   4.696  10.451
  803    HG2  LYS 101           2HG      LYS 101  14.489   5.154  12.415
  804    HG3  LYS 101           3HG      LYS 101  13.384   4.522  11.215
  805    HD2  LYS 101           2HD      LYS 101  14.133   2.768  12.793
  806    HD3  LYS 101           3HD      LYS 101  14.604   2.393  11.138
  807    HE2  LYS 101           2HE      LYS 101  16.381   1.851  12.767
  808    HE3  LYS 101           3HE      LYS 101  16.910   3.017  11.561
  809    HZ1  LYS 101           3HZ      LYS 101  16.615   4.790  13.198
  810    HZ2  LYS 101           1HZ      LYS 101  16.059   3.721  14.320
  811    HZ3  LYS 101           2HZ      LYS 101  17.604   3.644  13.806
  812    H    SER 102           H        SER 102  16.676   8.723  10.202
  813    HA   SER 102           HA       SER 102  18.844   8.137  11.914
  814    HB2  SER 102           2HB      SER 102  17.903  10.872  10.977
  815    HB3  SER 102           3HB      SER 102  19.538  10.429  11.506
  816    HG   SER 102           HG       SER 102  19.369  10.407   9.226
  817    H    GLU 103           H        GLU 103  15.774   9.664  12.719
  818    HA   GLU 103           HA       GLU 103  16.722  10.775  15.268
  819    HB2  GLU 103           2HB      GLU 103  13.912  10.426  14.150
  820    HB3  GLU 103           3HB      GLU 103  14.333  11.342  15.595
  821    HG2  GLU 103           2HG      GLU 103  15.187  11.988  12.737
  822    HG3  GLU 103           3HG      GLU 103  13.949  12.813  13.668
  823    H    GLY 104           H        GLY 104  14.748   7.952  14.307
  824    HA2  GLY 104           2HA      GLY 104  14.377   5.949  15.357
  825    HA3  GLY 104           3HA      GLY 104  15.631   6.382  16.519
  826    H    LYS 105           H        LYS 105  13.232   8.757  16.710
  827    HA   LYS 105           HA       LYS 105  12.403   7.663  19.308
  828    HB2  LYS 105           2HB      LYS 105  12.171  10.439  18.079
  829    HB3  LYS 105           3HB      LYS 105  11.547  10.040  19.666
  830    HG2  LYS 105           2HG      LYS 105  14.448  10.057  18.801
  831    HG3  LYS 105           3HG      LYS 105  13.651  11.091  19.976
  832    HD2  LYS 105           2HD      LYS 105  14.371   8.156  20.274
  833    HD3  LYS 105           3HD      LYS 105  15.002   9.524  21.190
  834    HE2  LYS 105           2HE      LYS 105  12.804   9.890  22.248
  835    HE3  LYS 105           3HE      LYS 105  12.088   8.619  21.253
  836    HZ1  LYS 105           3HZ      LYS 105  14.073   8.265  23.407
  837    HZ2  LYS 105           1HZ      LYS 105  12.542   7.653  23.296
  838    HZ3  LYS 105           2HZ      LYS 105  13.723   7.068  22.319
  839    H    ARG 106           H        ARG 106  11.048   6.905  16.606
  840    HA   ARG 106           HA       ARG 106   8.317   7.593  16.715
  841    HB2  ARG 106           2HB      ARG 106   9.510   6.364  14.879
  842    HB3  ARG 106           3HB      ARG 106   9.519   4.911  15.884
  843    HG2  ARG 106           2HG      ARG 106   7.011   4.915  15.872
  844    HG3  ARG 106           3HG      ARG 106   7.036   6.374  14.860
  845    HD2  ARG 106           2HD      ARG 106   8.301   5.093  13.127
  846    HD3  ARG 106           3HD      ARG 106   8.218   3.657  14.143
  847    HE   ARG 106           HE       ARG 106   5.773   3.649  13.906
  848   HH11  ARG 106          1HH2      ARG 106   7.432   5.621  11.503
  849   HH12  ARG 106          2HH2      ARG 106   6.129   5.374  10.348
  850   HH21  ARG 106          1HH1      ARG 106   4.170   3.455  12.312
  851   HH22  ARG 106          2HH1      ARG 106   4.461   4.235  10.767
  852    H    LYS 107           H        LYS 107  10.038   5.271  18.704
  853    HA   LYS 107           HA       LYS 107   7.583   4.219  19.935
  854    HB2  LYS 107           2HB      LYS 107   9.841   2.964  19.220
  855    HB3  LYS 107           3HB      LYS 107  10.344   3.442  20.833
  856    HG2  LYS 107           2HG      LYS 107   9.473   1.226  20.956
  857    HG3  LYS 107           3HG      LYS 107   8.271   2.269  21.728
  858    HD2  LYS 107           2HD      LYS 107   6.829   2.154  19.745
  859    HD3  LYS 107           3HD      LYS 107   8.090   1.306  18.845
  860    HE2  LYS 107           2HE      LYS 107   6.407  -0.277  19.558
  861    HE3  LYS 107           3HE      LYS 107   7.936  -0.622  20.371
  862    HZ1  LYS 107           3HZ      LYS 107   5.994  -0.704  21.871
  863    HZ2  LYS 107           1HZ      LYS 107   7.080   0.391  22.382
  864    HZ3  LYS 107           2HZ      LYS 107   5.702   0.883  21.631
  865    H    GLY 108           H        GLY 108   8.950   7.065  20.485
  866    HA2  GLY 108           2HA      GLY 108   8.568   8.593  22.155
  867    HA3  GLY 108           3HA      GLY 108   7.471   7.417  22.871
  868    H    ASP 109           H        ASP 109   7.983   6.657  24.831
  869    HA   ASP 109           HA       ASP 109  10.397   7.457  26.231
  870    HB2  ASP 109           2HB      ASP 109   8.114   7.232  27.243
  871    HB3  ASP 109           3HB      ASP 109   8.204   5.489  26.996
  872    H    GLU 110           H        GLU 110   9.675   4.736  24.244
  873    HA   GLU 110           HA       GLU 110  12.026   3.242  25.278
  874    HB2  GLU 110           2HB      GLU 110  10.037   2.429  23.142
  875    HB3  GLU 110           3HB      GLU 110  11.300   1.415  23.835
  876    HG2  GLU 110           2HG      GLU 110  10.169   1.609  26.070
  877    HG3  GLU 110           3HG      GLU 110   8.850   2.498  25.294
  878    H    VAL 111           H        VAL 111  13.418   2.245  23.486
  879    HA   VAL 111           HA       VAL 111  15.147   2.617  22.068
  880    HB   VAL 111           HB       VAL 111  13.145   4.041  20.278
  881   HG11  VAL 111          1HG1      VAL 111  15.511   4.227  19.529
  882   HG12  VAL 111          2HG1      VAL 111  15.698   2.466  19.676
  883   HG13  VAL 111          3HG1      VAL 111  14.590   3.159  18.472
  884   HG21  VAL 111          3HG2      VAL 111  12.231   1.841  20.932
  885   HG22  VAL 111          1HG2      VAL 111  12.780   1.816  19.256
  886   HG23  VAL 111          2HG2      VAL 111  13.776   1.065  20.522
  887    H    ASP 112           H        ASP 112  16.019   3.900  23.794
  888    HA   ASP 112           HA       ASP 112  16.396   6.786  23.154
  889    HB2  ASP 112           2HB      ASP 112  14.483   6.280  24.813
  890    HB3  ASP 112           3HB      ASP 112  15.733   5.780  25.942
  Start of MODEL   30
    1    H1   GLY   1           H1       GLY   1   9.407  13.366  19.436
    2    H2   GLY   1           H2       GLY   1   8.073  12.442  19.672
    3    H3   GLY   1           H3       GLY   1   8.476  13.593  20.765
    4    HA2  GLY   1           2HA      GLY   1   8.070  15.348  19.172
    5    HA3  GLY   1           3HA      GLY   1   7.652  14.107  17.978
    6    H    SER   2           H        SER   2   5.925  16.210  18.717
    7    HA   SER   2           HA       SER   2   3.556  14.697  19.585
    8    HB2  SER   2           2HB      SER   2   4.606  15.670  21.681
    9    HB3  SER   2           3HB      SER   2   4.286  17.283  21.014
   10    HG   SER   2           HG       SER   2   2.607  16.456  22.417
   11    H    LYS   3           H        LYS   3   1.584  16.100  19.400
   12    HA   LYS   3           HA       LYS   3   0.096  17.060  17.949
   13    HB2  LYS   3           2HB      LYS   3   2.112  19.328  18.082
   14    HB3  LYS   3           3HB      LYS   3   0.414  19.468  17.610
   15    HG2  LYS   3           2HG      LYS   3  -0.278  18.636  19.857
   16    HG3  LYS   3           3HG      LYS   3   1.426  18.604  20.352
   17    HD2  LYS   3           2HD      LYS   3   1.607  21.037  19.918
   18    HD3  LYS   3           3HD      LYS   3  -0.103  21.076  19.429
   19    HE2  LYS   3           2HE      LYS   3  -0.759  20.250  21.682
   20    HE3  LYS   3           3HE      LYS   3   0.942  20.219  22.168
   21    HZ1  LYS   3           3HZ      LYS   3  -0.151  22.260  22.902
   22    HZ2  LYS   3           1HZ      LYS   3   1.014  22.633  21.823
   23    HZ3  LYS   3           2HZ      LYS   3  -0.557  22.662  21.374
   24    H    ALA   4           H        ALA   4   1.748  15.297  16.557
   25    HA   ALA   4           HA       ALA   4   1.392  16.302  13.796
   26    HB1  ALA   4           1HB      ALA   4   3.761  16.741  14.353
   27    HB2  ALA   4           2HB      ALA   4   3.972  15.040  14.827
   28    HB3  ALA   4           3HB      ALA   4   3.617  15.458  13.136
   29    H    GLU   5           H        GLU   5   1.180  14.642  12.215
   30    HA   GLU   5           HA       GLU   5  -0.015  12.149  13.275
   31    HB2  GLU   5           2HB      GLU   5   0.046  13.286  10.455
   32    HB3  GLU   5           3HB      GLU   5  -0.832  11.849  10.966
   33    HG2  GLU   5           2HG      GLU   5  -1.348  14.720  11.842
   34    HG3  GLU   5           3HG      GLU   5  -2.349  13.740  10.780
   35    H    LYS   6           H        LYS   6   0.518  10.065  12.588
   36    HA   LYS   6           HA       LYS   6   3.354   9.582  12.015
   37    HB2  LYS   6           2HB      LYS   6   0.991   7.682  12.330
   38    HB3  LYS   6           3HB      LYS   6   2.675   7.184  12.122
   39    HG2  LYS   6           2HG      LYS   6   3.305   8.410  14.191
   40    HG3  LYS   6           3HG      LYS   6   1.606   8.864  14.433
   41    HD2  LYS   6           2HD      LYS   6   0.983   6.461  14.598
   42    HD3  LYS   6           3HD      LYS   6   2.664   6.009  14.294
   43    HE2  LYS   6           2HE      LYS   6   2.306   5.819  16.646
   44    HE3  LYS   6           3HE      LYS   6   3.361   7.206  16.371
   45    HZ1  LYS   6           3HZ      LYS   6   1.421   8.655  16.681
   46    HZ2  LYS   6           1HZ      LYS   6   0.433   7.366  16.891
   47    HZ3  LYS   6           2HZ      LYS   6   1.598   7.692  17.983
   48    H    THR   7           H        THR   7   0.365   9.389  10.139
   49    HA   THR   7           HA       THR   7   1.666   8.321   7.746
   50    HB   THR   7           HB       THR   7  -1.053   9.643   7.875
   51    HG1  THR   7           1HG      THR   7  -1.914   7.828   8.648
   52   HG21  THR   7          1HG2      THR   7  -1.620   8.295   6.045
   53   HG22  THR   7          2HG2      THR   7   0.024   8.701   5.643
   54   HG23  THR   7          3HG2      THR   7  -0.287   7.142   6.340
   55    H    LEU   8           H        LEU   8   2.089   9.499   5.766
   56    HA   LEU   8           HA       LEU   8   2.285  12.414   5.964
   57    HB2  LEU   8           2HB      LEU   8   3.310  12.437   3.971
   58    HB3  LEU   8           3HB      LEU   8   3.707  10.810   4.494
   59    HG   LEU   8           HG       LEU   8   1.510  11.584   2.499
   60   HD11  LEU   8          1HD1      LEU   8   4.158  10.197   2.003
   61   HD12  LEU   8          2HD1      LEU   8   2.933  10.641   0.802
   62   HD13  LEU   8          3HD1      LEU   8   3.824  11.909   1.658
   63   HD21  LEU   8          3HD2      LEU   8   2.533   8.856   3.365
   64   HD22  LEU   8          1HD2      LEU   8   0.915   9.485   3.668
   65   HD23  LEU   8          2HD2      LEU   8   1.415   9.160   2.013
   66    H    GLY   9           H        GLY   9  -0.376  10.377   5.311
   67    HA2  GLY   9           2HA      GLY   9  -2.601  11.063   5.222
   68    HA3  GLY   9           3HA      GLY   9  -2.117  12.670   4.702
   69    H    ASP  10           H        ASP  10  -0.816   9.949   2.827
   70    HA   ASP  10           HA       ASP  10  -2.775  10.582   0.664
   71    HB2  ASP  10           2HB      ASP  10  -0.489  11.770   0.609
   72    HB3  ASP  10           3HB      ASP  10   0.179  10.173   0.216
   73    H    PHE  11           H        PHE  11  -1.295   7.941   2.357
   74    HA   PHE  11           HA       PHE  11  -2.539   6.054   0.506
   75    HB2  PHE  11           2HB      PHE  11  -0.227   4.803   0.376
   76    HB3  PHE  11           3HB      PHE  11  -0.715   6.000  -0.779
   77    HD1  PHE  11           HD1      PHE  11   1.348   5.848   2.405
   78    HD2  PHE  11           HD2      PHE  11   0.775   7.560  -1.512
   79    HE1  PHE  11           HE1      PHE  11   3.644   6.761   2.467
   80    HE2  PHE  11           HE2      PHE  11   3.041   8.555  -1.399
   81    HZ   PHE  11           HZ       PHE  11   4.494   8.121   0.576
   82    H    ALA  12           H        ALA  12  -2.914   3.999   1.347
   83    HA   ALA  12           HA       ALA  12  -2.544   3.728   4.287
   84    HB1  ALA  12           1HB      ALA  12  -4.741   2.548   2.550
   85    HB2  ALA  12           2HB      ALA  12  -4.658   2.563   4.319
   86    HB3  ALA  12           3HB      ALA  12  -4.900   4.071   3.440
   87    H    ALA  13           H        ALA  13  -2.494   1.618   5.243
   88    HA   ALA  13           HA       ALA  13  -1.876  -0.689   3.489
   89    HB1  ALA  13           1HB      ALA  13  -0.248   0.080   5.963
   90    HB2  ALA  13           2HB      ALA  13   0.010  -1.328   4.900
   91    HB3  ALA  13           3HB      ALA  13   0.273   0.314   4.284
   92    H    GLU  14           H        GLU  14  -2.944  -2.515   4.127
   93    HA   GLU  14           HA       GLU  14  -3.748  -3.136   6.834
   94    HB2  GLU  14           2HB      GLU  14  -6.184  -3.182   6.334
   95    HB3  GLU  14           3HB      GLU  14  -5.531  -1.555   6.408
   96    HG2  GLU  14           2HG      GLU  14  -5.548  -1.361   3.970
   97    HG3  GLU  14           3HG      GLU  14  -6.001  -3.063   3.806
   98    H    TYR  15           H        TYR  15  -5.318  -5.234   6.562
   99    HA   TYR  15           HA       TYR  15  -4.070  -6.930   4.453
  100    HB2  TYR  15           2HB      TYR  15  -5.705  -7.715   6.863
  101    HB3  TYR  15           3HB      TYR  15  -5.039  -8.819   5.661
  102    HD1  TYR  15           HD1      TYR  15  -2.601  -9.213   5.486
  103    HD2  TYR  15           HD2      TYR  15  -4.206  -6.488   8.413
  104    HE1  TYR  15           HE1      TYR  15  -0.420  -9.241   6.712
  105    HE2  TYR  15           HE2      TYR  15  -2.059  -6.583   9.669
  106    HH   TYR  15           HH       TYR  15   0.752  -8.458   8.473
  107    H    ALA  16           H        ALA  16  -5.179  -7.975   2.894
  108    HA   ALA  16           HA       ALA  16  -7.358  -6.624   1.736
  109    HB1  ALA  16           1HB      ALA  16  -6.156  -9.333   1.178
  110    HB2  ALA  16           2HB      ALA  16  -7.246  -8.456   0.076
  111    HB3  ALA  16           3HB      ALA  16  -5.648  -7.787   0.474
  112    H    LYS  17           H        LYS  17  -9.361  -6.587   2.607
  113    HA   LYS  17           HA       LYS  17 -10.432  -8.630   4.299
  114    HB2  LYS  17           2HB      LYS  17 -10.893  -6.166   4.421
  115    HB3  LYS  17           3HB      LYS  17 -11.818  -6.280   2.932
  116    HG2  LYS  17           2HG      LYS  17 -13.282  -6.185   4.880
  117    HG3  LYS  17           3HG      LYS  17 -13.496  -7.691   4.008
  118    HD2  LYS  17           2HD      LYS  17 -13.566  -8.046   6.420
  119    HD3  LYS  17           3HD      LYS  17 -12.195  -8.908   5.721
  120    HE2  LYS  17           2HE      LYS  17 -10.668  -7.087   6.454
  121    HE3  LYS  17           3HE      LYS  17 -12.046  -6.182   7.095
  122    HZ1  LYS  17           3HZ      LYS  17 -10.915  -7.429   8.846
  123    HZ2  LYS  17           1HZ      LYS  17 -12.430  -8.003   8.667
  124    HZ3  LYS  17           2HZ      LYS  17 -11.160  -8.847   8.076
  125    H    SER  18           H        SER  18 -10.780  -8.117   0.851
  126    HA   SER  18           HA       SER  18 -11.988 -10.778   0.601
  127    HB2  SER  18           2HB      SER  18 -13.951  -9.213   0.771
  128    HB3  SER  18           3HB      SER  18 -13.378  -8.405  -0.709
  129    HG   SER  18           HG       SER  18 -14.963 -10.202  -0.926
  130    H    ASN  19           H        ASN  19 -11.805 -11.673  -1.472
  131    HA   ASN  19           HA       ASN  19  -9.549 -10.755  -3.049
  132    HB2  ASN  19           2HB      ASN  19 -10.126 -13.154  -2.469
  133    HB3  ASN  19           3HB      ASN  19 -11.495 -13.040  -3.577
  134   HD21  ASN  19          2HD2      ASN  19  -8.175 -11.688  -4.152
  135   HD22  ASN  19          1HD2      ASN  19  -7.689 -13.003  -5.209
  136    H    ARG  20           H        ARG  20 -12.672  -9.701  -2.995
  137    HA   ARG  20           HA       ARG  20 -13.007  -8.954  -5.808
  138    HB2  ARG  20           2HB      ARG  20 -14.247  -7.755  -3.289
  139    HB3  ARG  20           3HB      ARG  20 -14.785  -7.489  -4.943
  140    HG2  ARG  20           2HG      ARG  20 -14.957 -10.093  -3.377
  141    HG3  ARG  20           3HG      ARG  20 -16.282  -9.026  -3.845
  142    HD2  ARG  20           2HD      ARG  20 -15.750  -9.498  -6.247
  143    HD3  ARG  20           3HD      ARG  20 -14.507 -10.652  -5.702
  144    HE   ARG  20           HE       ARG  20 -16.940 -11.348  -4.430
  145   HH11  ARG  20          1HH2      ARG  20 -15.671 -11.389  -7.696
  146   HH12  ARG  20          2HH2      ARG  20 -16.696 -12.714  -8.175
  147   HH21  ARG  20          1HH1      ARG  20 -18.219 -13.032  -5.107
  148   HH22  ARG  20          2HH1      ARG  20 -18.099 -13.616  -6.741
  149    H    SER  21           H        SER  21 -10.895  -7.829  -3.360
  150    HA   SER  21           HA       SER  21 -10.531  -5.101  -4.311
  151    HB2  SER  21           2HB      SER  21  -8.477  -6.890  -2.959
  152    HB3  SER  21           3HB      SER  21  -8.468  -5.113  -3.072
  153    HG   SER  21           HG       SER  21 -10.154  -6.823  -1.568
  154    H    THR  22           H        THR  22  -8.973  -4.322  -5.862
  155    HA   THR  22           HA       THR  22  -7.496  -6.349  -7.469
  156    HB   THR  22           HB       THR  22  -9.281  -4.234  -8.661
  157    HG1  THR  22           1HG      THR  22 -10.549  -5.959  -9.339
  158   HG21  THR  22          1HG2      THR  22  -8.853  -5.322 -10.822
  159   HG22  THR  22          2HG2      THR  22  -7.334  -4.763 -10.123
  160   HG23  THR  22          3HG2      THR  22  -7.768  -6.485 -10.041
  161    H    CYS  23           HN       CYS  23  -5.618  -5.708  -8.207
  162    HA   CYS  23           HA       CYS  23  -4.435  -3.315  -7.118
  163    HB2  CYS  23           2HB      CYS  23  -3.310  -5.423  -7.001
  164    HB3  CYS  23           3HB      CYS  23  -3.523  -5.682  -8.733
  165    H    LYS  24           H        LYS  24  -4.728  -1.467  -8.107
  166    HA   LYS  24           HA       LYS  24  -4.941  -1.108 -11.025
  167    HB2  LYS  24           2HB      LYS  24  -4.775   0.727  -8.629
  168    HB3  LYS  24           3HB      LYS  24  -4.510   1.364 -10.253
  169    HG2  LYS  24           2HG      LYS  24  -6.807   1.670  -9.783
  170    HG3  LYS  24           3HG      LYS  24  -6.674   0.427 -11.013
  171    HD2  LYS  24           2HD      LYS  24  -7.218  -1.327  -9.407
  172    HD3  LYS  24           3HD      LYS  24  -7.043  -0.204  -8.055
  173    HE2  LYS  24           2HE      LYS  24  -9.379  -0.564  -8.403
  174    HE3  LYS  24           3HE      LYS  24  -9.005   1.091  -8.884
  175    HZ1  LYS  24           3HZ      LYS  24  -9.393  -1.193 -10.749
  176    HZ2  LYS  24           1HZ      LYS  24 -10.452   0.015 -10.496
  177    HZ3  LYS  24           2HZ      LYS  24  -9.029   0.338 -11.218
  178    H    GLY  25           H        GLY  25  -2.336  -1.744  -9.003
  179    HA2  GLY  25           2HA      GLY  25  -0.227  -0.397 -10.495
  180    HA3  GLY  25           3HA      GLY  25  -0.044  -1.692  -9.310
  181    H    CYS  26           HN       CYS  26  -1.764  -3.601 -10.795
  182    HA   CYS  26           HA       CYS  26  -0.356  -3.896 -13.381
  183    HB2  CYS  26           2HB      CYS  26   0.347  -6.142 -13.012
  184    HB3  CYS  26           3HB      CYS  26   1.002  -5.125 -11.729
  185    H    MET  27           H        MET  27  -3.326  -3.883 -12.005
  186    HA   MET  27           HA       MET  27  -5.378  -4.480 -12.587
  187    HB2  MET  27           2HB      MET  27  -4.263  -4.908 -15.367
  188    HB3  MET  27           3HB      MET  27  -5.974  -4.837 -14.970
  189    HG2  MET  27           2HG      MET  27  -4.210  -2.514 -14.188
  190    HG3  MET  27           3HG      MET  27  -4.651  -2.741 -15.868
  191    HE1  MET  27           3HE      MET  27  -7.314  -3.490 -12.818
  192    HE2  MET  27           1HE      MET  27  -6.048  -2.373 -12.257
  193    HE3  MET  27           2HE      MET  27  -7.709  -1.788 -12.516
  194    H    GLU  28           H        GLU  28  -4.365  -6.243 -11.062
  195    HA   GLU  28           HA       GLU  28  -5.726  -8.720 -11.942
  196    HB2  GLU  28           2HB      GLU  28  -2.920  -8.634 -10.771
  197    HB3  GLU  28           3HB      GLU  28  -3.936 -10.057 -10.671
  198    HG2  GLU  28           2HG      GLU  28  -3.028  -8.731 -13.243
  199    HG3  GLU  28           3HG      GLU  28  -2.335 -10.179 -12.512
  200    H    LYS  29           H        LYS  29  -6.363 -10.061 -10.154
  201    HA   LYS  29           HA       LYS  29  -7.567  -8.355  -8.132
  202    HB2  LYS  29           2HB      LYS  29  -8.666 -10.323  -7.293
  203    HB3  LYS  29           3HB      LYS  29  -8.820 -10.221  -9.048
  204    HG2  LYS  29           2HG      LYS  29  -7.036 -11.941  -9.313
  205    HG3  LYS  29           3HG      LYS  29  -6.861 -12.016  -7.546
  206    HD2  LYS  29           2HD      LYS  29  -9.304 -12.635  -7.402
  207    HD3  LYS  29           3HD      LYS  29  -9.322 -12.789  -9.167
  208    HE2  LYS  29           2HE      LYS  29  -7.678 -14.566  -9.110
  209    HE3  LYS  29           3HE      LYS  29  -7.318 -14.259  -7.407
  210    HZ1  LYS  29           3HZ      LYS  29  -9.543 -14.977  -6.830
  211    HZ2  LYS  29           1HZ      LYS  29  -9.918 -15.284  -8.401
  212    HZ3  LYS  29           2HZ      LYS  29  -8.775 -16.174  -7.642
  213    H    ILE  30           H        ILE  30  -7.141  -8.105  -6.026
  214    HA   ILE  30           HA       ILE  30  -4.516  -9.006  -5.013
  215    HB   ILE  30           HB       ILE  30  -6.587  -7.085  -3.949
  216   HG12  ILE  30          2HG1      ILE  30  -3.710  -6.557  -4.798
  217   HG13  ILE  30          3HG1      ILE  30  -5.043  -6.493  -5.939
  218   HG21  ILE  30          1HG2      ILE  30  -4.943  -6.522  -2.184
  219   HG22  ILE  30          2HG2      ILE  30  -5.500  -8.182  -2.017
  220   HG23  ILE  30          3HG2      ILE  30  -3.899  -7.846  -2.725
  221   HD11  ILE  30          3HD1      ILE  30  -6.134  -4.716  -4.630
  222   HD12  ILE  30          1HD1      ILE  30  -4.755  -4.710  -3.495
  223   HD13  ILE  30          2HD1      ILE  30  -4.514  -4.277  -5.191
  224    H    GLU  31           H        GLU  31  -4.198 -10.638  -3.632
  225    HA   GLU  31           HA       GLU  31  -6.342 -12.511  -3.180
  226    HB2  GLU  31           2HB      GLU  31  -3.464 -12.499  -2.240
  227    HB3  GLU  31           3HB      GLU  31  -4.584 -13.848  -2.045
  228    HG2  GLU  31           2HG      GLU  31  -3.685 -12.668  -4.711
  229    HG3  GLU  31           3HG      GLU  31  -3.034 -14.110  -3.952
  230    H    LYS  32           H        LYS  32  -7.480 -12.986  -1.437
  231    HA   LYS  32           HA       LYS  32  -7.793 -11.100   0.702
  232    HB2  LYS  32           2HB      LYS  32  -9.576 -12.622  -0.149
  233    HB3  LYS  32           3HB      LYS  32  -8.729 -13.997   0.574
  234    HG2  LYS  32           2HG      LYS  32  -9.012 -12.962   2.830
  235    HG3  LYS  32           3HG      LYS  32  -9.848 -11.585   2.080
  236    HD2  LYS  32           2HD      LYS  32 -11.617 -13.097   1.272
  237    HD3  LYS  32           3HD      LYS  32 -10.753 -14.487   1.973
  238    HE2  LYS  32           2HE      LYS  32 -10.964 -13.491   4.231
  239    HE3  LYS  32           3HE      LYS  32 -11.804 -12.094   3.550
  240    HZ1  LYS  32           3HZ      LYS  32 -13.369 -13.721   4.439
  241    HZ2  LYS  32           1HZ      LYS  32 -13.585 -13.592   2.829
  242    HZ3  LYS  32           2HZ      LYS  32 -12.808 -14.890   3.451
  243    H    GLY  33           H        GLY  33  -7.213 -11.143   2.826
  244    HA2  GLY  33           2HA      GLY  33  -6.073 -11.664   4.749
  245    HA3  GLY  33           3HA      GLY  33  -5.847 -13.296   4.125
  246    H    GLN  34           H        GLN  34  -4.373 -11.020   1.976
  247    HA   GLN  34           HA       GLN  34  -1.855 -10.939   3.549
  248    HB2  GLN  34           2HB      GLN  34  -0.523 -11.066   1.555
  249    HB3  GLN  34           3HB      GLN  34  -1.476 -12.513   1.796
  250    HG2  GLN  34           2HG      GLN  34  -1.446 -12.064  -0.554
  251    HG3  GLN  34           3HG      GLN  34  -3.072 -11.747   0.019
  252   HE21  GLN  34          2HE2      GLN  34  -3.919  -9.672  -0.463
  253   HE22  GLN  34          1HE2      GLN  34  -2.898  -8.256  -0.448
  254    H    VAL  35           H        VAL  35  -0.493  -8.937   2.751
  255    HA   VAL  35           HA       VAL  35  -2.118  -6.724   3.536
  256    HB   VAL  35           HB       VAL  35   0.709  -6.836   2.471
  257   HG11  VAL  35          1HG1      VAL  35  -0.730  -4.471   3.754
  258   HG12  VAL  35          2HG1      VAL  35   1.016  -4.579   3.451
  259   HG13  VAL  35          3HG1      VAL  35  -0.100  -4.553   2.092
  260   HG21  VAL  35          3HG2      VAL  35  -0.419  -6.483   5.284
  261   HG22  VAL  35          1HG2      VAL  35   0.359  -7.950   4.651
  262   HG23  VAL  35          2HG2      VAL  35   1.300  -6.472   4.841
  263    H    ARG  36           H        ARG  36  -3.003  -5.000   2.485
  264    HA   ARG  36           HA       ARG  36  -2.523  -4.645  -0.423
  265    HB2  ARG  36           2HB      ARG  36  -4.753  -4.002  -0.898
  266    HB3  ARG  36           3HB      ARG  36  -4.764  -5.623  -0.208
  267    HG2  ARG  36           2HG      ARG  36  -5.655  -4.810   1.898
  268    HG3  ARG  36           3HG      ARG  36  -5.492  -3.132   1.372
  269    HD2  ARG  36           2HD      ARG  36  -7.076  -3.563  -0.502
  270    HD3  ARG  36           3HD      ARG  36  -7.320  -5.209   0.090
  271    HE   ARG  36           HE       ARG  36  -7.850  -3.420   2.253
  272   HH11  ARG  36          1HH2      ARG  36  -9.499  -4.284  -0.764
  273   HH12  ARG  36          2HH2      ARG  36 -10.889  -3.363  -0.297
  274   HH21  ARG  36          1HH1      ARG  36  -9.657  -2.550   2.798
  275   HH22  ARG  36          2HH1      ARG  36 -11.044  -2.475   1.710
  276    H    LEU  37           H        LEU  37  -1.999  -2.634  -1.007
  277    HA   LEU  37           HA       LEU  37  -2.035  -0.530   1.087
  278    HB2  LEU  37           2HB      LEU  37  -0.160  -0.595  -1.293
  279    HB3  LEU  37           3HB      LEU  37  -0.164   0.490   0.126
  280    HG   LEU  37           HG       LEU  37   1.674  -0.793   0.404
  281   HD11  LEU  37          1HD1      LEU  37  -0.373  -2.163   2.158
  282   HD12  LEU  37          2HD1      LEU  37   1.356  -1.895   2.485
  283   HD13  LEU  37          3HD1      LEU  37   0.244  -0.516   2.349
  284   HD21  LEU  37          3HD2      LEU  37   0.108  -3.394   0.067
  285   HD22  LEU  37          1HD2      LEU  37   1.114  -2.645  -1.184
  286   HD23  LEU  37          2HD2      LEU  37   1.841  -3.187   0.350
  287    H    SER  38           H        SER  38  -2.581   1.591   0.483
  288    HA   SER  38           HA       SER  38  -4.073   1.763  -2.061
  289    HB2  SER  38           2HB      SER  38  -5.686   3.109  -1.219
  290    HB3  SER  38           3HB      SER  38  -5.381   2.049   0.161
  291    HG   SER  38           HG       SER  38  -5.479   4.476   0.444
  292    H    LYS  39           H        LYS  39  -4.271   3.931  -3.033
  293    HA   LYS  39           HA       LYS  39  -2.669   6.029  -1.760
  294    HB2  LYS  39           2HB      LYS  39  -1.220   5.824  -3.586
  295    HB3  LYS  39           3HB      LYS  39  -2.529   5.517  -4.740
  296    HG2  LYS  39           2HG      LYS  39  -3.228   7.749  -4.797
  297    HG3  LYS  39           3HG      LYS  39  -2.378   8.161  -3.286
  298    HD2  LYS  39           2HD      LYS  39  -0.266   8.183  -4.307
  299    HD3  LYS  39           3HD      LYS  39  -0.885   7.449  -5.804
  300    HE2  LYS  39           2HE      LYS  39  -0.500   9.854  -6.089
  301    HE3  LYS  39           3HE      LYS  39  -2.202   9.427  -6.319
  302    HZ1  LYS  39           3HZ      LYS  39  -2.689  10.293  -4.121
  303    HZ2  LYS  39           1HZ      LYS  39  -1.113  10.515  -3.771
  304    HZ3  LYS  39           2HZ      LYS  39  -1.834  11.443  -4.914
  305    H    LYS  40           H        LYS  40  -3.816   7.895  -1.407
  306    HA   LYS  40           HA       LYS  40  -6.607   8.003  -2.205
  307    HB2  LYS  40           2HB      LYS  40  -5.899   8.727   0.004
  308    HB3  LYS  40           3HB      LYS  40  -4.788   9.910  -0.720
  309    HG2  LYS  40           2HG      LYS  40  -6.727  11.074  -1.770
  310    HG3  LYS  40           3HG      LYS  40  -7.823   9.871  -1.072
  311    HD2  LYS  40           2HD      LYS  40  -7.888  11.832   0.236
  312    HD3  LYS  40           3HD      LYS  40  -7.031  10.556   1.171
  313    HE2  LYS  40           2HE      LYS  40  -4.858  11.597   0.593
  314    HE3  LYS  40           3HE      LYS  40  -5.680  12.820  -0.379
  315    HZ1  LYS  40           3HZ      LYS  40  -6.743  13.631   1.664
  316    HZ2  LYS  40           1HZ      LYS  40  -5.989  12.474   2.554
  317    HZ3  LYS  40           2HZ      LYS  40  -5.113  13.634   1.837
  318    H    MET  41           H        MET  41  -7.389   9.043  -3.977
  319    HA   MET  41           HA       MET  41  -6.375  11.663  -4.699
  320    HB2  MET  41           2HB      MET  41  -5.985  11.188  -7.129
  321    HB3  MET  41           3HB      MET  41  -4.758  10.484  -6.087
  322    HG2  MET  41           2HG      MET  41  -5.876   8.285  -6.224
  323    HG3  MET  41           3HG      MET  41  -7.117   8.971  -7.278
  324    HE1  MET  41           3HE      MET  41  -6.523   6.776  -8.571
  325    HE2  MET  41           1HE      MET  41  -4.964   6.461  -9.383
  326    HE3  MET  41           2HE      MET  41  -5.065   6.418  -7.606
  327    H    VAL  42           H        VAL  42  -7.991  12.936  -5.768
  328    HA   VAL  42           HA       VAL  42 -10.538  12.046  -6.368
  329    HB   VAL  42           HB       VAL  42  -8.864  14.007  -7.978
  330   HG11  VAL  42          1HG1      VAL  42 -11.880  13.570  -7.955
  331   HG12  VAL  42          2HG1      VAL  42 -11.061  14.963  -8.693
  332   HG13  VAL  42          3HG1      VAL  42 -10.774  13.347  -9.334
  333   HG21  VAL  42          3HG2      VAL  42 -10.859  14.476  -5.718
  334   HG22  VAL  42          1HG2      VAL  42  -9.100  14.716  -5.630
  335   HG23  VAL  42          2HG2      VAL  42 -10.073  15.742  -6.681
  336    H    ASP  43           H        ASP  43 -11.396  10.624  -7.810
  337    HA   ASP  43           HA       ASP  43  -9.703   8.869  -9.281
  338    HB2  ASP  43           2HB      ASP  43 -11.981   8.363  -8.339
  339    HB3  ASP  43           3HB      ASP  43 -12.691   9.296  -9.637
  340    HA   PRO  44           HA       PRO  44  -9.264  11.645 -12.805
  341    HB2  PRO  44           2HB      PRO  44  -7.634  10.099 -14.416
  342    HB3  PRO  44           3HB      PRO  44  -7.056  10.954 -12.954
  343    HG2  PRO  44           2HG      PRO  44  -7.961   8.057 -13.167
  344    HG3  PRO  44           3HG      PRO  44  -6.438   8.687 -12.450
  345    HD2  PRO  44           2HD      PRO  44  -8.564   8.105 -10.914
  346    HD3  PRO  44           3HD      PRO  44  -7.585   9.564 -10.579
  347    H    GLU  45           H        GLU  45 -10.795   8.525 -12.875
  348    HA   GLU  45           HA       GLU  45 -11.975   9.041 -15.584
  349    HB2  GLU  45           2HB      GLU  45 -11.949   6.529 -13.868
  350    HB3  GLU  45           3HB      GLU  45 -12.750   6.704 -15.432
  351    HG2  GLU  45           2HG      GLU  45 -10.542   7.241 -16.483
  352    HG3  GLU  45           3HG      GLU  45  -9.750   6.930 -14.936
  353    H    LYS  46           H        LYS  46 -12.638   9.475 -12.291
  354    HA   LYS  46           HA       LYS  46 -15.507   9.990 -12.782
  355    HB2  LYS  46           2HB      LYS  46 -14.543   8.109 -10.595
  356    HB3  LYS  46           3HB      LYS  46 -16.168   8.786 -10.718
  357    HG2  LYS  46           2HG      LYS  46 -16.500   7.678 -12.890
  358    HG3  LYS  46           3HG      LYS  46 -14.912   6.895 -12.746
  359    HD2  LYS  46           2HD      LYS  46 -17.074   6.658 -10.621
  360    HD3  LYS  46           3HD      LYS  46 -16.949   5.542 -12.000
  361    HE2  LYS  46           2HE      LYS  46 -14.589   5.017 -11.317
  362    HE3  LYS  46           3HE      LYS  46 -14.796   6.032  -9.892
  363    HZ1  LYS  46           3HZ      LYS  46 -16.611   4.535  -9.188
  364    HZ2  LYS  46           1HZ      LYS  46 -16.382   3.592 -10.503
  365    HZ3  LYS  46           2HZ      LYS  46 -15.215   3.708  -9.369
  366    HA   PRO  47           HA       PRO  47 -13.071  12.970 -10.055
  367    HB2  PRO  47           2HB      PRO  47 -13.608  15.314 -11.436
  368    HB3  PRO  47           3HB      PRO  47 -12.212  14.236 -11.739
  369    HG2  PRO  47           2HG      PRO  47 -14.876  14.285 -13.193
  370    HG3  PRO  47           3HG      PRO  47 -13.223  14.244 -13.898
  371    HD2  PRO  47           2HD      PRO  47 -14.679  11.992 -13.655
  372    HD3  PRO  47           3HD      PRO  47 -12.924  11.983 -13.304
  373    H    GLN  48           H        GLN  48 -16.362  12.833 -11.207
  374    HA   GLN  48           HA       GLN  48 -17.621  14.740  -9.519
  375    HB2  GLN  48           2HB      GLN  48 -18.573  13.579 -11.521
  376    HB3  GLN  48           3HB      GLN  48 -18.687  12.087 -10.574
  377    HG2  GLN  48           2HG      GLN  48 -20.277  13.186  -9.025
  378    HG3  GLN  48           3HG      GLN  48 -20.081  14.716  -9.885
  379   HE21  GLN  48          2HE2      GLN  48 -22.608  14.191  -9.759
  380   HE22  GLN  48          1HE2      GLN  48 -23.226  13.401 -11.204
  381    H    LEU  49           H        LEU  49 -16.335  11.484  -8.728
  382    HA   LEU  49           HA       LEU  49 -17.676  11.165  -6.189
  383    HB2  LEU  49           2HB      LEU  49 -14.941  10.291  -7.230
  384    HB3  LEU  49           3HB      LEU  49 -15.652   9.710  -5.734
  385    HG   LEU  49           HG       LEU  49 -16.828   9.224  -8.504
  386   HD11  LEU  49          1HD1      LEU  49 -15.976   6.935  -8.115
  387   HD12  LEU  49          2HD1      LEU  49 -14.651   8.125  -8.086
  388   HD13  LEU  49          3HD1      LEU  49 -15.276   7.465  -6.565
  389   HD21  LEU  49          3HD2      LEU  49 -18.206   7.541  -7.264
  390   HD22  LEU  49          1HD2      LEU  49 -17.561   8.184  -5.731
  391   HD23  LEU  49          2HD2      LEU  49 -18.569   9.205  -6.782
  392    H    GLY  50           H        GLY  50 -14.966  13.188  -7.175
  393    HA2  GLY  50           2HA      GLY  50 -13.288  14.259  -5.979
  394    HA3  GLY  50           3HA      GLY  50 -14.138  13.931  -4.466
  395    H    MET  51           H        MET  51 -12.466  13.051  -3.392
  396    HA   MET  51           HA       MET  51 -10.452  11.392  -4.405
  397    HB2  MET  51           2HB      MET  51 -11.038  11.870  -1.477
  398    HB3  MET  51           3HB      MET  51  -9.500  11.485  -2.248
  399    HG2  MET  51           2HG      MET  51  -9.934  13.757  -3.557
  400    HG3  MET  51           3HG      MET  51 -11.048  14.080  -2.229
  401    HE1  MET  51           3HE      MET  51  -7.592  12.627  -2.961
  402    HE2  MET  51           1HE      MET  51  -7.457  14.300  -3.521
  403    HE3  MET  51           2HE      MET  51  -6.480  13.745  -2.133
  404    H    ILE  52           H        ILE  52  -9.906   9.334  -4.128
  405    HA   ILE  52           HA       ILE  52 -11.583   7.535  -2.557
  406    HB   ILE  52           HB       ILE  52 -11.474   5.806  -4.442
  407   HG12  ILE  52          2HG1      ILE  52 -11.574   6.649  -6.756
  408   HG13  ILE  52          3HG1      ILE  52 -11.019   8.236  -6.229
  409   HG21  ILE  52          1HG2      ILE  52 -13.234   8.218  -4.971
  410   HG22  ILE  52          2HG2      ILE  52 -13.535   6.518  -5.396
  411   HG23  ILE  52          3HG2      ILE  52 -13.500   6.994  -3.693
  412   HD11  ILE  52          3HD1      ILE  52  -8.823   7.342  -5.702
  413   HD12  ILE  52          1HD1      ILE  52  -9.413   5.673  -5.872
  414   HD13  ILE  52          2HD1      ILE  52  -9.281   6.746  -7.290
  415    H    ASP  53           H        ASP  53 -10.570   5.358  -2.344
  416    HA   ASP  53           HA       ASP  53  -7.590   5.541  -2.136
  417    HB2  ASP  53           2HB      ASP  53  -9.635   4.030  -0.508
  418    HB3  ASP  53           3HB      ASP  53  -7.988   3.438  -0.660
  419    H    ARG  54           H        ARG  54  -6.934   4.974  -4.032
  420    HA   ARG  54           HA       ARG  54  -7.892   2.693  -5.616
  421    HB2  ARG  54           2HB      ARG  54  -6.481   5.012  -6.192
  422    HB3  ARG  54           3HB      ARG  54  -5.147   3.897  -6.029
  423    HG2  ARG  54           2HG      ARG  54  -5.784   4.020  -8.345
  424    HG3  ARG  54           3HG      ARG  54  -6.212   2.410  -7.745
  425    HD2  ARG  54           2HD      ARG  54  -8.506   2.851  -7.850
  426    HD3  ARG  54           3HD      ARG  54  -8.282   4.543  -7.405
  427    HE   ARG  54           HE       ARG  54  -7.314   4.163 -10.071
  428   HH11  ARG  54          1HH2      ARG  54 -10.347   4.328  -8.321
  429   HH12  ARG  54          2HH2      ARG  54 -11.127   5.278  -9.565
  430   HH21  ARG  54          1HH1      ARG  54  -8.438   5.335 -11.673
  431   HH22  ARG  54          2HH1      ARG  54 -10.042   5.935 -11.308
  432    H    TRP  55           H        TRP  55  -7.136   0.549  -5.463
  433    HA   TRP  55           HA       TRP  55  -5.109   0.039  -3.352
  434    HB2  TRP  55           2HB      TRP  55  -7.212  -1.777  -4.528
  435    HB3  TRP  55           3HB      TRP  55  -6.018  -2.258  -3.332
  436    HD1  TRP  55           HD1      TRP  55  -9.358  -0.658  -3.629
  437    HE1  TRP  55           HE1      TRP  55 -10.246   0.059  -1.350
  438    HE3  TRP  55           HE3      TRP  55  -5.099  -1.300  -0.835
  439    HZ2  TRP  55           HZ2      TRP  55  -9.190   0.573   1.291
  440    HZ3  TRP  55           HZ3      TRP  55  -5.051  -0.595   1.542
  441    HH2  TRP  55           HH2      TRP  55  -7.081   0.360   2.609
  442    H    TYR  56           H        TYR  56  -3.517  -1.434  -3.488
  443    HA   TYR  56           HA       TYR  56  -2.474  -2.438  -6.069
  444    HB2  TYR  56           2HB      TYR  56  -0.968  -0.774  -4.005
  445    HB3  TYR  56           3HB      TYR  56  -0.312  -1.411  -5.507
  446    HD1  TYR  56           HD1      TYR  56  -1.011  -0.445  -7.678
  447    HD2  TYR  56           HD2      TYR  56  -2.334   1.262  -3.970
  448    HE1  TYR  56           HE1      TYR  56  -1.758   1.598  -8.904
  449    HE2  TYR  56           HE2      TYR  56  -3.102   3.296  -5.189
  450    HH   TYR  56           HH       TYR  56  -2.764   3.648  -8.731
  451    H    HIS  57           H        HIS  57  -0.915  -4.075  -5.839
  452    HA   HIS  57           HA       HIS  57  -1.012  -5.908  -3.541
  453    HB2  HIS  57           2HB      HIS  57   0.807  -5.817  -5.958
  454    HB3  HIS  57           3HB      HIS  57   0.924  -7.037  -4.722
  455    HD2  HIS  57           HD2      HIS  57  -1.518  -8.471  -4.263
  456    HE1  HIS  57           HE1      HIS  57  -2.547  -8.351  -8.384
  457    HE2  HIS  57           HE2      HIS  57  -2.981  -9.532  -6.207
  458    HA   PRO  58           HA       PRO  58   2.643  -4.315  -1.291
  459    HB2  PRO  58           2HB      PRO  58   3.486  -7.201  -1.116
  460    HB3  PRO  58           3HB      PRO  58   3.403  -5.965   0.182
  461    HG2  PRO  58           2HG      PRO  58   1.446  -7.808  -0.009
  462    HG3  PRO  58           3HG      PRO  58   1.007  -6.081   0.227
  463    HD2  PRO  58           2HD      PRO  58   1.092  -7.643  -2.377
  464    HD3  PRO  58           3HD      PRO  58  -0.226  -6.628  -1.721
  465    H    GLY  59           H        GLY  59   3.183  -6.431  -4.050
  466    HA2  GLY  59           2HA      GLY  59   6.016  -5.634  -4.366
  467    HA3  GLY  59           3HA      GLY  59   5.036  -6.570  -5.500
  468    H    CYS  60           HN       CYS  60   2.889  -4.959  -6.011
  469    HA   CYS  60           HA       CYS  60   4.008  -3.334  -7.973
  470    HB2  CYS  60           2HB      CYS  60   1.130  -3.436  -7.016
  471    HB3  CYS  60           3HB      CYS  60   1.695  -2.899  -8.606
  472    H    PHE  61           H        PHE  61   2.427  -2.344  -4.895
  473    HA   PHE  61           HA       PHE  61   2.305   0.419  -5.554
  474    HB2  PHE  61           2HB      PHE  61   1.536   0.733  -3.490
  475    HB3  PHE  61           3HB      PHE  61   1.399  -1.018  -3.485
  476    HD1  PHE  61           HD1      PHE  61   3.209  -2.388  -2.429
  477    HD2  PHE  61           HD2      PHE  61   3.125   1.885  -2.120
  478    HE1  PHE  61           HE1      PHE  61   4.658  -2.527  -0.393
  479    HE2  PHE  61           HE2      PHE  61   4.581   1.773  -0.079
  480    HZ   PHE  61           HZ       PHE  61   5.334  -0.435   0.784
  481    H    VAL  62           H        VAL  62   5.017  -1.505  -4.287
  482    HA   VAL  62           HA       VAL  62   6.902   0.693  -4.160
  483    HB   VAL  62           HB       VAL  62   7.536  -2.252  -4.529
  484   HG11  VAL  62          1HG1      VAL  62   9.478  -0.807  -4.968
  485   HG12  VAL  62          2HG1      VAL  62   9.192   0.070  -3.447
  486   HG13  VAL  62          3HG1      VAL  62   9.674  -1.637  -3.426
  487   HG21  VAL  62          3HG2      VAL  62   7.864  -2.179  -2.021
  488   HG22  VAL  62          1HG2      VAL  62   7.057  -0.599  -2.015
  489   HG23  VAL  62          2HG2      VAL  62   6.199  -2.063  -2.549
  490    H    LYS  63           H        LYS  63   6.056  -1.616  -6.764
  491    HA   LYS  63           HA       LYS  63   8.037  -0.820  -8.634
  492    HB2  LYS  63           2HB      LYS  63   6.659  -2.859  -8.830
  493    HB3  LYS  63           3HB      LYS  63   5.216  -1.872  -9.071
  494    HG2  LYS  63           2HG      LYS  63   6.116  -1.011 -11.204
  495    HG3  LYS  63           3HG      LYS  63   7.570  -1.988 -10.972
  496    HD2  LYS  63           2HD      LYS  63   6.022  -3.081 -12.521
  497    HD3  LYS  63           3HD      LYS  63   6.247  -4.045 -11.071
  498    HE2  LYS  63           2HE      LYS  63   3.929  -4.107 -11.788
  499    HE3  LYS  63           3HE      LYS  63   4.047  -3.355 -10.201
  500    HZ1  LYS  63           3HZ      LYS  63   3.625  -1.223 -11.166
  501    HZ2  LYS  63           1HZ      LYS  63   3.879  -1.763 -12.707
  502    HZ3  LYS  63           2HZ      LYS  63   2.557  -2.211 -11.865
  503    H    ASN  64           H        ASN  64   4.811   0.603  -8.050
  504    HA   ASN  64           HA       ASN  64   5.448   2.813  -9.940
  505    HB2  ASN  64           2HB      ASN  64   2.817   3.206  -9.459
  506    HB3  ASN  64           3HB      ASN  64   3.513   2.358 -10.813
  507   HD21  ASN  64          1HD2      ASN  64   1.894   1.833  -7.644
  508   HD22  ASN  64          2HD2      ASN  64   1.363   0.229  -8.139
  509    H    ARG  65           H        ARG  65   6.260   2.424  -6.893
  510    HA   ARG  65           HA       ARG  65   5.133   4.365  -5.319
  511    HB2  ARG  65           2HB      ARG  65   7.166   4.368  -4.059
  512    HB3  ARG  65           3HB      ARG  65   6.983   2.768  -4.736
  513    HG2  ARG  65           2HG      ARG  65   8.553   3.518  -6.634
  514    HG3  ARG  65           3HG      ARG  65   8.850   4.985  -5.683
  515    HD2  ARG  65           2HD      ARG  65   9.732   3.710  -3.855
  516    HD3  ARG  65           3HD      ARG  65   9.334   2.173  -4.642
  517    HE   ARG  65           HE       ARG  65  11.628   3.898  -5.149
  518   HH11  ARG  65          1HH2      ARG  65   9.649   1.423  -6.699
  519   HH12  ARG  65          2HH2      ARG  65  10.947   0.974  -7.776
  520   HH21  ARG  65          1HH1      ARG  65  13.198   3.263  -6.571
  521   HH22  ARG  65          2HH1      ARG  65  12.882   1.990  -7.710
  522    H    GLU  66           H        GLU  66   7.465   4.974  -7.888
  523    HA   GLU  66           HA       GLU  66   7.742   7.787  -7.277
  524    HB2  GLU  66           2HB      GLU  66   9.174   7.832  -9.278
  525    HB3  GLU  66           3HB      GLU  66   9.618   6.578  -8.113
  526    HG2  GLU  66           2HG      GLU  66   8.582   4.842  -9.490
  527    HG3  GLU  66           3HG      GLU  66   7.987   6.051 -10.634
  528    H    GLU  67           H        GLU  67   5.555   5.951  -9.239
  529    HA   GLU  67           HA       GLU  67   4.448   8.279 -10.657
  530    HB2  GLU  67           2HB      GLU  67   4.535   6.053 -11.724
  531    HB3  GLU  67           3HB      GLU  67   3.447   5.417 -10.483
  532    HG2  GLU  67           2HG      GLU  67   1.670   6.942 -11.199
  533    HG3  GLU  67           3HG      GLU  67   2.765   7.741 -12.332
  534    H    LEU  68           H        LEU  68   3.650   6.144  -7.872
  535    HA   LEU  68           HA       LEU  68   1.256   7.536  -7.086
  536    HB2  LEU  68           2HB      LEU  68   3.212   5.903  -5.425
  537    HB3  LEU  68           3HB      LEU  68   1.606   6.390  -4.908
  538    HG   LEU  68           HG       LEU  68   2.235   4.468  -7.188
  539   HD11  LEU  68          1HD1      LEU  68   2.661   3.521  -4.970
  540   HD12  LEU  68          2HD1      LEU  68   1.044   4.021  -4.426
  541   HD13  LEU  68          3HD1      LEU  68   1.215   2.788  -5.687
  542   HD21  LEU  68          3HD2      LEU  68  -0.482   5.176  -6.052
  543   HD22  LEU  68          1HD2      LEU  68   0.132   5.704  -7.641
  544   HD23  LEU  68          2HD2      LEU  68  -0.114   3.992  -7.316
  545    H    GLY  69           H        GLY  69   4.682   8.174  -6.345
  546    HA2  GLY  69           2HA      GLY  69   5.267  10.544  -6.207
  547    HA3  GLY  69           3HA      GLY  69   3.844  10.839  -5.218
  548    H    PHE  70           H        PHE  70   5.714   7.983  -4.459
  549    HA   PHE  70           HA       PHE  70   6.422   8.829  -1.801
  550    HB2  PHE  70           2HB      PHE  70   7.302   6.565  -3.612
  551    HB3  PHE  70           3HB      PHE  70   8.024   6.808  -2.045
  552    HD1  PHE  70           HD2      PHE  70   4.736   6.041  -3.687
  553    HD2  PHE  70           HD1      PHE  70   7.029   6.118  -0.058
  554    HE1  PHE  70           HE2      PHE  70   3.025   4.622  -2.581
  555    HE2  PHE  70           HE1      PHE  70   5.326   4.698   1.064
  556    HZ   PHE  70           HZ       PHE  70   3.323   3.938  -0.214
  557    H    ARG  71           H        ARG  71   8.284   9.619  -0.947
  558    HA   ARG  71           HA       ARG  71  10.803   9.467  -2.425
  559    HB2  ARG  71           2HB      ARG  71   9.778  12.034  -1.098
  560    HB3  ARG  71           3HB      ARG  71  11.476  11.709  -1.368
  561    HG2  ARG  71           2HG      ARG  71  11.079  12.929  -3.224
  562    HG3  ARG  71           3HG      ARG  71  10.786  11.321  -3.882
  563    HD2  ARG  71           2HD      ARG  71   8.299  11.720  -3.508
  564    HD3  ARG  71           3HD      ARG  71   8.701  13.319  -2.906
  565    HE   ARG  71           HE       ARG  71   9.097  14.075  -5.054
  566   HH11  ARG  71          1HH2      ARG  71   8.782  10.565  -5.297
  567   HH12  ARG  71          2HH2      ARG  71   8.594  10.650  -7.031
  568   HH21  ARG  71          1HH1      ARG  71   8.872  14.055  -7.245
  569   HH22  ARG  71          2HH1      ARG  71   8.652  12.554  -8.092
  570    HA   PRO  72           HA       PRO  72  12.262   7.638   1.319
  571    HB2  PRO  72           2HB      PRO  72  14.426   9.740   1.401
  572    HB3  PRO  72           3HB      PRO  72  14.567   7.967   1.626
  573    HG2  PRO  72           2HG      PRO  72  15.228   9.060  -0.757
  574    HG3  PRO  72           3HG      PRO  72  14.220   7.574  -0.723
  575    HD2  PRO  72           2HD      PRO  72  13.323  10.447  -1.089
  576    HD3  PRO  72           3HD      PRO  72  12.827   8.986  -1.993
  577    H    GLU  73           H        GLU  73  11.853  11.143   1.447
  578    HA   GLU  73           HA       GLU  73  12.006  11.512   4.235
  579    HB2  GLU  73           2HB      GLU  73  10.048  12.984   2.425
  580    HB3  GLU  73           3HB      GLU  73  10.912  13.617   3.823
  581    HG2  GLU  73           2HG      GLU  73  12.060  12.933   1.080
  582    HG3  GLU  73           3HG      GLU  73  11.787  14.536   1.735
  583    H    TYR  74           H        TYR  74   9.508   9.925   2.427
  584    HA   TYR  74           HA       TYR  74   7.953   9.367   4.829
  585    HB2  TYR  74           2HB      TYR  74   5.810  10.173   3.602
  586    HB3  TYR  74           3HB      TYR  74   6.806  11.282   4.491
  587    HD1  TYR  74           HD1      TYR  74   6.989  10.018   0.912
  588    HD2  TYR  74           HD2      TYR  74   6.799  13.386   3.602
  589    HE1  TYR  74           HE1      TYR  74   7.078  11.580  -1.030
  590    HE2  TYR  74           HE2      TYR  74   6.893  14.938   1.659
  591    HH   TYR  74           HH       TYR  74   6.939  13.764  -1.719
  592    H    SER  75           H        SER  75   9.280   7.454   3.834
  593    HA   SER  75           HA       SER  75   8.027   5.950   1.720
  594    HB2  SER  75           2HB      SER  75  10.069   5.157   3.797
  595    HB3  SER  75           3HB      SER  75   9.572   4.176   2.403
  596    HG   SER  75           HG       SER  75  11.396   5.354   1.849
  597    H    ALA  76           H        ALA  76   7.858   3.353   2.642
  598    HA   ALA  76           HA       ALA  76   5.170   3.147   3.202
  599    HB1  ALA  76           1HB      ALA  76   7.353   1.101   3.793
  600    HB2  ALA  76           2HB      ALA  76   5.634   0.771   3.500
  601    HB3  ALA  76           3HB      ALA  76   6.638   1.413   2.193
  602    H    SER  77           H        SER  77   7.572   3.723   5.667
  603    HA   SER  77           HA       SER  77   6.172   2.684   7.939
  604    HB2  SER  77           2HB      SER  77   7.661   4.314   9.161
  605    HB3  SER  77           3HB      SER  77   8.526   3.213   8.069
  606    HG   SER  77           HG       SER  77   9.201   5.418   7.856
  607    H    GLN  78           H        GLN  78   5.551   5.437   5.895
  608    HA   GLN  78           HA       GLN  78   3.691   6.577   7.873
  609    HB2  GLN  78           2HB      GLN  78   4.977   7.940   5.489
  610    HB3  GLN  78           3HB      GLN  78   3.899   8.666   6.685
  611    HG2  GLN  78           2HG      GLN  78   5.664   7.813   8.451
  612    HG3  GLN  78           3HG      GLN  78   6.752   7.727   7.064
  613   HE21  GLN  78          2HE2      GLN  78   4.605   9.932   8.910
  614   HE22  GLN  78          1HE2      GLN  78   5.507  11.397   8.497
  615    H    LEU  79           H        LEU  79   3.070   4.245   6.123
  616    HA   LEU  79           HA       LEU  79   0.773   5.211   4.538
  617    HB2  LEU  79           2HB      LEU  79   1.751   2.457   5.405
  618    HB3  LEU  79           3HB      LEU  79   0.253   2.697   4.529
  619    HG   LEU  79           HG       LEU  79   2.776   3.775   3.301
  620   HD11  LEU  79          1HD1      LEU  79   1.987   0.846   2.988
  621   HD12  LEU  79          2HD1      LEU  79   3.349   1.685   2.242
  622   HD13  LEU  79          3HD1      LEU  79   3.325   1.382   3.988
  623   HD21  LEU  79          3HD2      LEU  79   0.380   3.946   2.367
  624   HD22  LEU  79          1HD2      LEU  79   1.660   3.412   1.263
  625   HD23  LEU  79          2HD2      LEU  79   0.536   2.241   1.964
  626    H    LYS  80           H        LYS  80  -1.352   5.195   5.168
  627    HA   LYS  80           HA       LYS  80  -2.088   5.552   7.871
  628    HB2  LYS  80           2HB      LYS  80  -3.949   4.548   5.663
  629    HB3  LYS  80           3HB      LYS  80  -4.432   5.234   7.195
  630    HG2  LYS  80           2HG      LYS  80  -3.540   7.387   6.614
  631    HG3  LYS  80           3HG      LYS  80  -2.880   6.770   5.084
  632    HD2  LYS  80           2HD      LYS  80  -5.827   6.415   5.566
  633    HD3  LYS  80           3HD      LYS  80  -5.267   8.066   5.307
  634    HE2  LYS  80           2HE      LYS  80  -4.465   7.638   3.131
  635    HE3  LYS  80           3HE      LYS  80  -4.415   5.903   3.384
  636    HZ1  LYS  80           3HZ      LYS  80  -6.904   5.965   3.498
  637    HZ2  LYS  80           1HZ      LYS  80  -6.879   7.538   3.073
  638    HZ3  LYS  80           2HZ      LYS  80  -6.348   6.379   2.038
  639    H    GLY  81           H        GLY  81  -2.279   4.194   9.533
  640    HA2  GLY  81           2HA      GLY  81  -2.757   2.299  10.767
  641    HA3  GLY  81           3HA      GLY  81  -3.414   1.537   9.320
  642    H    PHE  82           H        PHE  82  -0.114   2.520   8.802
  643    HA   PHE  82           HA       PHE  82   0.894  -0.066   8.358
  644    HB2  PHE  82           2HB      PHE  82   2.043   1.793   7.461
  645    HB3  PHE  82           3HB      PHE  82   2.129   2.623   9.005
  646    HD1  PHE  82           HD2      PHE  82   3.686  -0.025   6.918
  647    HD2  PHE  82           HD1      PHE  82   3.812   2.147  10.635
  648    HE1  PHE  82           HE2      PHE  82   5.975  -0.887   7.348
  649    HE2  PHE  82           HE1      PHE  82   6.097   1.257  11.081
  650    HZ   PHE  82           HZ       PHE  82   7.170  -0.273   9.433
  651    H    SER  83           H        SER  83   1.173   1.934  11.324
  652    HA   SER  83           HA       SER  83   2.713   0.211  12.880
  653    HB2  SER  83           2HB      SER  83   0.502   2.117  13.743
  654    HB3  SER  83           3HB      SER  83   1.787   1.478  14.797
  655    HG   SER  83           HG       SER  83   2.343   3.534  13.982
  656    H    LEU  84           H        LEU  84  -0.622  -0.240  12.002
  657    HA   LEU  84           HA       LEU  84  -1.259  -2.018  14.275
  658    HB2  LEU  84           2HB      LEU  84  -2.962  -1.135  11.916
  659    HB3  LEU  84           3HB      LEU  84  -3.522  -1.969  13.359
  660    HG   LEU  84           HG       LEU  84  -2.410   0.873  13.267
  661   HD11  LEU  84          1HD1      LEU  84  -5.232  -0.168  13.736
  662   HD12  LEU  84          2HD1      LEU  84  -4.712   1.533  13.777
  663   HD13  LEU  84          3HD1      LEU  84  -4.644   0.625  12.257
  664   HD21  LEU  84          3HD2      LEU  84  -3.581  -0.711  15.598
  665   HD22  LEU  84          1HD2      LEU  84  -1.898  -0.150  15.446
  666   HD23  LEU  84          2HD2      LEU  84  -3.205   1.027  15.614
  667    H    LEU  85           H        LEU  85   0.183  -2.432  11.218
  668    HA   LEU  85           HA       LEU  85  -0.877  -5.076  10.603
  669    HB2  LEU  85           2HB      LEU  85   1.455  -3.414   9.649
  670    HB3  LEU  85           3HB      LEU  85   1.436  -5.129   9.311
  671    HG   LEU  85           HG       LEU  85  -0.660  -4.954   8.088
  672   HD11  LEU  85          1HD1      LEU  85  -0.494  -1.975   8.664
  673   HD12  LEU  85          2HD1      LEU  85  -1.557  -2.721   7.458
  674   HD13  LEU  85          3HD1      LEU  85  -1.790  -3.082   9.170
  675   HD21  LEU  85          3HD2      LEU  85   0.192  -3.702   6.165
  676   HD22  LEU  85          1HD2      LEU  85   1.377  -2.875   7.203
  677   HD23  LEU  85          2HD2      LEU  85   1.495  -4.626   6.923
  678    H    ALA  86           H        ALA  86   0.622  -7.024  10.554
  679    HA   ALA  86           HA       ALA  86   1.711  -7.606  13.183
  680    HB1  ALA  86           1HB      ALA  86   2.343  -9.740  12.161
  681    HB2  ALA  86           2HB      ALA  86   0.675  -9.325  11.712
  682    HB3  ALA  86           3HB      ALA  86   1.995  -9.101  10.542
  683    H    THR  87           H        THR  87   3.901  -7.852  13.767
  684    HA   THR  87           HA       THR  87   5.678  -5.880  12.984
  685    HB   THR  87           HB       THR  87   6.499  -8.577  14.098
  686    HG1  THR  87           1HG      THR  87   5.992  -7.682  16.110
  687   HG21  THR  87          1HG2      THR  87   8.406  -7.067  13.636
  688   HG22  THR  87          2HG2      THR  87   7.603  -5.757  14.532
  689   HG23  THR  87          3HG2      THR  87   8.156  -7.221  15.380
  690    H    GLU  88           H        GLU  88   5.581  -9.241  11.731
  691    HA   GLU  88           HA       GLU  88   7.968  -9.026  10.160
  692    HB2  GLU  88           2HB      GLU  88   7.248 -11.067   9.093
  693    HB3  GLU  88           3HB      GLU  88   7.014 -11.159  10.837
  694    HG2  GLU  88           2HG      GLU  88   4.565 -10.646  10.488
  695    HG3  GLU  88           3HG      GLU  88   4.842 -10.701   8.745
  696    H    ASP  89           H        ASP  89   4.625  -8.037   9.432
  697    HA   ASP  89           HA       ASP  89   5.264  -7.488   6.604
  698    HB2  ASP  89           2HB      ASP  89   2.816  -6.892   8.293
  699    HB3  ASP  89           3HB      ASP  89   2.990  -6.471   6.590
  700    H    LYS  90           H        LYS  90   4.936  -5.636   9.639
  701    HA   LYS  90           HA       LYS  90   5.377  -3.011   8.548
  702    HB2  LYS  90           2HB      LYS  90   5.967  -4.238  11.276
  703    HB3  LYS  90           3HB      LYS  90   6.241  -2.525  10.910
  704    HG2  LYS  90           2HG      LYS  90   3.960  -2.112  10.462
  705    HG3  LYS  90           3HG      LYS  90   3.556  -3.830  10.405
  706    HD2  LYS  90           2HD      LYS  90   2.713  -2.834  12.433
  707    HD3  LYS  90           3HD      LYS  90   3.913  -4.082  12.787
  708    HE2  LYS  90           2HE      LYS  90   5.608  -2.351  13.243
  709    HE3  LYS  90           3HE      LYS  90   4.458  -1.084  12.789
  710    HZ1  LYS  90           3HZ      LYS  90   3.027  -1.843  14.647
  711    HZ2  LYS  90           1HZ      LYS  90   4.140  -2.959  15.080
  712    HZ3  LYS  90           2HZ      LYS  90   4.499  -1.372  15.200
  713    H    GLU  91           H        GLU  91   7.699  -5.487   9.657
  714    HA   GLU  91           HA       GLU  91  10.060  -3.982   8.911
  715    HB2  GLU  91           2HB      GLU  91   9.531  -6.950   9.301
  716    HB3  GLU  91           3HB      GLU  91  11.116  -6.306   8.887
  717    HG2  GLU  91           2HG      GLU  91   9.538  -5.498  11.367
  718    HG3  GLU  91           3HG      GLU  91  10.788  -6.737  11.329
  719    H    ALA  92           H        ALA  92   8.191  -6.520   7.115
  720    HA   ALA  92           HA       ALA  92   9.864  -6.550   4.859
  721    HB1  ALA  92           1HB      ALA  92   6.880  -7.085   5.025
  722    HB2  ALA  92           2HB      ALA  92   7.963  -7.595   3.713
  723    HB3  ALA  92           3HB      ALA  92   8.187  -8.255   5.344
  724    H    LEU  93           H        LEU  93   7.022  -4.389   5.419
  725    HA   LEU  93           HA       LEU  93   7.027  -3.233   2.799
  726    HB2  LEU  93           2HB      LEU  93   6.026  -2.300   5.513
  727    HB3  LEU  93           3HB      LEU  93   5.785  -1.356   4.049
  728    HG   LEU  93           HG       LEU  93   4.747  -4.200   4.391
  729   HD11  LEU  93          1HD1      LEU  93   3.316  -1.517   4.645
  730   HD12  LEU  93          2HD1      LEU  93   2.553  -3.122   4.707
  731   HD13  LEU  93          3HD1      LEU  93   3.686  -2.638   5.977
  732   HD21  LEU  93          3HD2      LEU  93   4.128  -2.057   2.317
  733   HD22  LEU  93          1HD2      LEU  93   5.033  -3.563   2.027
  734   HD23  LEU  93          2HD2      LEU  93   3.326  -3.636   2.461
  735    H    LYS  94           H        LYS  94   8.730  -2.238   5.800
  736    HA   LYS  94           HA       LYS  94  10.072   0.036   4.588
  737    HB2  LYS  94           2HB      LYS  94  10.794  -1.702   6.976
  738    HB3  LYS  94           3HB      LYS  94  11.642  -0.221   6.526
  739    HG2  LYS  94           2HG      LYS  94   9.586   1.105   6.856
  740    HG3  LYS  94           3HG      LYS  94   8.697  -0.348   7.320
  741    HD2  LYS  94           2HD      LYS  94  11.109   0.818   8.786
  742    HD3  LYS  94           3HD      LYS  94   9.419   0.957   9.295
  743    HE2  LYS  94           2HE      LYS  94   9.267  -1.509   9.522
  744    HE3  LYS  94           3HE      LYS  94  10.936  -1.673   8.977
  745    HZ1  LYS  94           3HZ      LYS  94  10.080  -0.381  11.501
  746    HZ2  LYS  94           1HZ      LYS  94  10.886  -1.808  11.316
  747    HZ3  LYS  94           2HZ      LYS  94  11.626  -0.399  10.948
  748    H    LYS  95           H        LYS  95  10.955  -3.401   5.007
  749    HA   LYS  95           HA       LYS  95  13.583  -3.137   3.923
  750    HB2  LYS  95           2HB      LYS  95  11.758  -5.528   4.271
  751    HB3  LYS  95           3HB      LYS  95  13.367  -5.683   3.560
  752    HG2  LYS  95           2HG      LYS  95  14.444  -4.789   5.532
  753    HG3  LYS  95           3HG      LYS  95  12.896  -4.398   6.284
  754    HD2  LYS  95           2HD      LYS  95  12.314  -6.821   6.346
  755    HD3  LYS  95           3HD      LYS  95  13.893  -7.202   5.620
  756    HE2  LYS  95           2HE      LYS  95  15.019  -6.072   7.550
  757    HE3  LYS  95           3HE      LYS  95  13.439  -5.756   8.275
  758    HZ1  LYS  95           3HZ      LYS  95  14.580  -8.450   7.749
  759    HZ2  LYS  95           1HZ      LYS  95  14.433  -7.746   9.213
  760    HZ3  LYS  95           2HZ      LYS  95  13.098  -8.184   8.383
  761    H    GLN  96           H        GLN  96  10.552  -3.378   2.228
  762    HA   GLN  96           HA       GLN  96  11.848  -3.723  -0.420
  763    HB2  GLN  96           2HB      GLN  96   8.973  -3.164   0.414
  764    HB3  GLN  96           3HB      GLN  96   9.549  -3.329  -1.249
  765    HG2  GLN  96           2HG      GLN  96  10.128  -5.658  -0.912
  766    HG3  GLN  96           3HG      GLN  96   9.715  -5.564   0.805
  767   HE21  GLN  96          2HE2      GLN  96   8.260  -4.987  -2.461
  768   HE22  GLN  96          1HE2      GLN  96   6.612  -5.261  -1.920
  769    H    LEU  97           H        LEU  97  10.201  -1.186   1.509
  770    HA   LEU  97           HA       LEU  97  11.363   0.932  -0.223
  771    HB2  LEU  97           2HB      LEU  97   9.150   0.361  -1.030
  772    HB3  LEU  97           3HB      LEU  97   8.446   0.577   0.568
  773    HG   LEU  97           HG       LEU  97   8.717   2.956   0.484
  774   HD11  LEU  97          1HD1      LEU  97  10.447   2.506  -1.980
  775   HD12  LEU  97          2HD1      LEU  97   9.821   4.098  -1.459
  776   HD13  LEU  97          3HD1      LEU  97  10.948   3.217  -0.430
  777   HD21  LEU  97          3HD2      LEU  97   7.932   1.967  -2.288
  778   HD22  LEU  97          1HD2      LEU  97   6.880   2.005  -0.861
  779   HD23  LEU  97          2HD2      LEU  97   7.476   3.520  -1.559
  780    HA   PRO  98           HA       PRO  98  11.875   2.036   4.189
  781    HB2  PRO  98           2HB      PRO  98  14.632   2.238   4.256
  782    HB3  PRO  98           3HB      PRO  98  13.707   0.736   4.513
  783    HG2  PRO  98           2HG      PRO  98  15.357   1.495   2.175
  784    HG3  PRO  98           3HG      PRO  98  14.723  -0.110   2.661
  785    HD2  PRO  98           2HD      PRO  98  13.659   1.758   0.682
  786    HD3  PRO  98           3HD      PRO  98  13.168   0.082   1.044
  787    H    GLY  99           H        GLY  99  12.593   4.138   5.195
  788    HA2  GLY  99           2HA      GLY  99  13.478   6.271   3.336
  789    HA3  GLY  99           3HA      GLY  99  11.957   6.454   4.204
  790    H    VAL 100           H        VAL 100  13.396   8.330   4.584
  791    HA   VAL 100           HA       VAL 100  14.468   9.794   5.854
  792    HB   VAL 100           HB       VAL 100  13.420   7.955   8.006
  793   HG11  VAL 100          1HG1      VAL 100  14.351  10.850   8.249
  794   HG12  VAL 100          2HG1      VAL 100  13.398   9.968   9.462
  795   HG13  VAL 100          3HG1      VAL 100  15.027   9.423   9.091
  796   HG21  VAL 100          3HG2      VAL 100  12.320  10.479   6.683
  797   HG22  VAL 100          1HG2      VAL 100  11.728   8.835   6.408
  798   HG23  VAL 100          2HG2      VAL 100  11.542   9.575   8.003
  799    H    LYS 101           H        LYS 101  16.298  10.540   6.825
  800    HA   LYS 101           HA       LYS 101  18.663   8.971   6.296
  801    HB2  LYS 101           2HB      LYS 101  18.264  11.668   7.680
  802    HB3  LYS 101           3HB      LYS 101  19.832  10.917   7.437
  803    HG2  LYS 101           2HG      LYS 101  19.669  12.446   5.724
  804    HG3  LYS 101           3HG      LYS 101  19.410  10.882   4.955
  805    HD2  LYS 101           2HD      LYS 101  16.982  11.332   4.797
  806    HD3  LYS 101           3HD      LYS 101  17.187  12.832   5.737
  807    HE2  LYS 101           2HE      LYS 101  18.748  13.652   3.929
  808    HE3  LYS 101           3HE      LYS 101  18.351  12.212   2.984
  809    HZ1  LYS 101           3HZ      LYS 101  16.008  12.971   2.944
  810    HZ2  LYS 101           1HZ      LYS 101  16.375  14.262   3.858
  811    HZ3  LYS 101           2HZ      LYS 101  16.985  14.131   2.353
  812    H    SER 102           H        SER 102  17.050   9.881   9.304
  813    HA   SER 102           HA       SER 102  17.346   9.349  11.486
  814    HB2  SER 102           2HB      SER 102  17.901   6.626  10.286
  815    HB3  SER 102           3HB      SER 102  17.434   6.944  11.972
  816    HG   SER 102           HG       SER 102  15.634   6.405  10.655
  817    H    GLU 103           H        GLU 103  19.725  10.452  10.322
  818    HA   GLU 103           HA       GLU 103  21.700   9.771  12.388
  819    HB2  GLU 103           2HB      GLU 103  22.173   8.095  10.639
  820    HB3  GLU 103           3HB      GLU 103  22.313   9.367   9.423
  821    HG2  GLU 103           2HG      GLU 103  24.287  10.274  10.530
  822    HG3  GLU 103           3HG      GLU 103  24.093   9.161  11.889
  823    H    GLY 104           H        GLY 104  21.425  11.533   9.240
  824    HA2  GLY 104           2HA      GLY 104  21.406  13.784   8.801
  825    HA3  GLY 104           3HA      GLY 104  21.219  14.067  10.533
  826    H    LYS 105           H        LYS 105  24.102  12.354   9.579
  827    HA   LYS 105           HA       LYS 105  25.703  14.536  10.747
  828    HB2  LYS 105           2HB      LYS 105  26.365  11.658  10.006
  829    HB3  LYS 105           3HB      LYS 105  27.550  12.800  10.641
  830    HG2  LYS 105           2HG      LYS 105  26.043  13.200  12.624
  831    HG3  LYS 105           3HG      LYS 105  25.010  11.884  12.049
  832    HD2  LYS 105           2HD      LYS 105  27.025  10.356  12.135
  833    HD3  LYS 105           3HD      LYS 105  27.936  11.675  12.879
  834    HE2  LYS 105           2HE      LYS 105  25.484  10.250  14.003
  835    HE3  LYS 105           3HE      LYS 105  27.147  10.136  14.584
  836    HZ1  LYS 105           3HZ      LYS 105  25.377  12.506  14.760
  837    HZ2  LYS 105           1HZ      LYS 105  26.005  11.652  15.999
  838    HZ3  LYS 105           2HZ      LYS 105  26.970  12.603  15.071
  839    H    ARG 106           H        ARG 106  24.808  13.893   7.623
  840    HA   ARG 106           HA       ARG 106  27.185  14.650   6.220
  841    HB2  ARG 106           2HB      ARG 106  25.232  13.509   5.218
  842    HB3  ARG 106           3HB      ARG 106  24.267  14.975   5.370
  843    HG2  ARG 106           2HG      ARG 106  26.907  15.059   3.877
  844    HG3  ARG 106           3HG      ARG 106  25.519  14.297   3.110
  845    HD2  ARG 106           2HD      ARG 106  24.215  16.290   3.151
  846    HD3  ARG 106           3HD      ARG 106  25.347  17.143   4.182
  847    HE   ARG 106           HE       ARG 106  25.552  16.710   1.299
  848   HH11  ARG 106          1HH2      ARG 106  27.469  17.571   4.140
  849   HH12  ARG 106          2HH2      ARG 106  28.682  18.351   3.160
  850   HH21  ARG 106          1HH1      ARG 106  27.153  17.716   0.153
  851   HH22  ARG 106          2HH1      ARG 106  28.509  18.425   0.980
  852    H    LYS 107           H        LYS 107  24.843  16.503   7.972
  853    HA   LYS 107           HA       LYS 107  26.132  19.104   7.235
  854    HB2  LYS 107           2HB      LYS 107  23.493  18.509   8.643
  855    HB3  LYS 107           3HB      LYS 107  24.175  20.124   8.402
  856    HG2  LYS 107           2HG      LYS 107  24.131  19.774   5.933
  857    HG3  LYS 107           3HG      LYS 107  23.367  18.194   6.181
  858    HD2  LYS 107           2HD      LYS 107  21.449  19.288   7.310
  859    HD3  LYS 107           3HD      LYS 107  22.212  20.876   7.063
  860    HE2  LYS 107           2HE      LYS 107  22.169  20.505   4.602
  861    HE3  LYS 107           3HE      LYS 107  21.393  18.936   4.852
  862    HZ1  LYS 107           3HZ      LYS 107  20.224  21.558   5.628
  863    HZ2  LYS 107           1HZ      LYS 107  19.759  20.660   4.348
  864    HZ3  LYS 107           2HZ      LYS 107  19.505  20.107   5.861
  865    H    GLY 108           H        GLY 108  26.563  20.595   9.024
  866    HA2  GLY 108           2HA      GLY 108  27.543  21.153  11.039
  867    HA3  GLY 108           3HA      GLY 108  26.922  19.657  11.735
  868    H    ASP 109           H        ASP 109  28.886  19.255   8.927
  869    HA   ASP 109           HA       ASP 109  30.838  18.217   8.532
  870    HB2  ASP 109           2HB      ASP 109  31.899  20.019  10.727
  871    HB3  ASP 109           3HB      ASP 109  32.847  19.238   9.466
  872    H    GLU 110           H        GLU 110  29.148  16.756  10.411
  873    HA   GLU 110           HA       GLU 110  31.097  15.292  12.051
  874    HB2  GLU 110           2HB      GLU 110  28.123  14.928  11.575
  875    HB3  GLU 110           3HB      GLU 110  29.102  13.800  12.522
  876    HG2  GLU 110           2HG      GLU 110  29.802  15.713  13.996
  877    HG3  GLU 110           3HG      GLU 110  28.670  16.751  13.122
  878    H    VAL 111           H        VAL 111  30.056  15.084   8.813
  879    HA   VAL 111           HA       VAL 111  30.886  12.297   8.428
  880    HB   VAL 111           HB       VAL 111  28.972  13.338   7.240
  881   HG11  VAL 111          1HG1      VAL 111  29.361  14.760   5.269
  882   HG12  VAL 111          2HG1      VAL 111  29.895  15.566   6.750
  883   HG13  VAL 111          3HG1      VAL 111  31.089  14.844   5.649
  884   HG21  VAL 111          3HG2      VAL 111  29.257  12.278   5.142
  885   HG22  VAL 111          1HG2      VAL 111  31.022  12.313   5.267
  886   HG23  VAL 111          2HG2      VAL 111  30.069  11.292   6.370
  887    H    ASP 112           H        ASP 112  32.607  15.046   8.868
  888    HA   ASP 112           HA       ASP 112  34.628  14.910   6.801
  889    HB2  ASP 112           2HB      ASP 112  34.011  16.983   7.983
  890    HB3  ASP 112           3HB      ASP 112  34.638  16.319   9.489