*HEADER    TOXIN                                   12-DEC-00   1HP2              
*TITLE     SOLUTION STRUCTURE OF A TOXIN FROM THE SCORPION TITYUS                
*TITLE    2 SERRULATUS (TSTX-K ALPHA) DETERMINED BY NMR.                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TITYUSTOXIN K ALPHA;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TSTX-K ALPHA, TSK4;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: TITYUS SERRULATUS;                              
*SOURCE   3 ORGANISM_COMMON: BRAZILIAN SCORPION;                                 
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    K+ CHANNEL, SCORPION TOXIN, ALPHA-K TOXIN,                            
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    K.C.ELLIS, T.C.TENENHOLZ, W.F.GILLY, M.P.BLAUSTEIN,                   
*AUTHOR   2 D.J.WEBER                                                            
*REVDAT   1   13-JUN-01 1HP2    0                                                
remarks  file Intra.tbl
remarks  06/23/99 Intraresidue NOE table for Tityus Toxin K-alpha 
remarks --------------------------------------------------------------------------------------------------

!Val1 
 assign (resid 1 and name ha) (resid 1 and name hg*) 1.8 0 7.2 {vw,3.90x0.97&0.92,02/14/00,3,wg}
!Phe2 hn4&hn5 (9.03&9.06 ppm)
 assign (resid 2 and name hn) (resid 2 and name ha) 1.8 0 3.2 {w,9.03x5.09,06/23/99,0,wg}
 assign (resid 2 and name hn) (resid 2 and name hb2) 1.8 0 1.5 {m,9.03x2.97,02/18/00,0,wg}
 assign (resid 2 and name hn) (resid 2 and name hb1) 1.8 0 3.2 {w,9.03x3.09,02/18/00,0,wg}
 assign (resid 2 and name ha) (resid 2 and name hb2) 1.8 0 4.2 {vw,5.09x2.97,02/18/00,0,wg}
 assign (resid 2 and name ha) (resid 2 and name hb1) 1.8 0 3.2 {w,5.09x3.09,02/18/00,0,wg}
 assign (resid 2 and name hb2) (resid 2 and name hd*) 1.8 0 3.8 {m,2.97x,02/18/00,2.3,wg}
 assign (resid 2 and name hb1) (resid 2 and name hd*) 1.8 0 3.8 {m,3.09x,02/18/00,2.3,wg}
 assign (resid 2 and name hb2) (resid 2 and name he*) 1.8 0 6.5 {vw,2.97x,02/18/00,2.3,wg}
 assign (resid 2 and name hb1) (resid 2 and name he*) 1.8 0 6.5 {vw,3.09x,02/18/00,2.3,wg}
 assign (resid 2 and name hd*) (resid 2 and name he*) 1.8 0 6.1 {m,x,02/14/00,2.3+2.3,wg}
!Ile3 hn22& hn16 (8.37&8.23 ppm)
 assign (resid 3 and name hn) (resid 3 and name ha) 1.8 0 4.2 {vw,7.60x4.33,06/23/99,0,wg}
 assign (resid 3 and name hn) (resid 3 and name hb) 1.8 0 4.2 {vw,7.60x1.93,02/01/00,0,wg}
 assign (resid 3 and name hn) (resid 3 and name hg1*) 1.8 0 5.2 {vw,7.60x1.15&1.24,02/14/00,1,wg}
 assign (resid 3 and name hn) (resid 3 and name hg2*) 1.8 0 5.2 {vw,7.60x0.82,02/14/00,1,wg}
 assign (resid 3 and name hn) (resid 3 and name hd*) 1.8 0 7.2 {vw,7.60x0.69,02/14/00,1,wg}
 assign (resid 3 and name ha) (resid 3 and name hb) 1.8 0 4.2 {vw,4.33x1.93,03/09/00,0,wg}
 assign (resid 3 and name ha) (resid 3 and name hg1*) 1.8 0 5.2 {vw,4.33x1.15&1.24,03/09/00,1,wg}
 assign (resid 3 and name ha) (resid 3 and name hg2*) 1.8 0 4.2 {w,4.33x0.82,03/09/00,1,wg}
 assign (resid 3 and name ha) (resid 3 and name hd*) 1.8 0 4.2 {w,4.33x0.69,03/09/00,1,wg}
 assign (resid 3 and name hb) (resid 3 and name hg1*) 1.8 0 2.5 {m,1.93x1.15&1.24,03/09/00,1,wg}
 assign (resid 3 and name hb) (resid 3 and name hg2*) 1.8 0 2.5 {m,1.93x0.82,03/09/00,1,wg}
 assign (resid 3 and name hb) (resid 3 and name hd*) 1.8 0 4.2 {w,1.93x0.69,03/09/00,1,wg}
!Asn4 hn12 (8.67 ppm)
 assign (resid 4 and name hn) (resid 4 and name ha) 1.8 0 3.2 {w,8.53x4.71,06/23/99,0,wg}
 assign (resid 4 and name hn) (resid 4 and name hb*) 1.8 0 4.2 {w,8.53x2.91&2.69,06/23/99,1,wg}
 assign (resid 4 and name ha) (resid 4 and name hb*) 1.8 0 2.5 {m,4.71x2.91&2.69,03/09/00,1,wg}
 assign (resid 4 and name hb*) (resid 4 and name hd2*) 1.8 0 6.2 {vw,2.91&2.69x,02/14/00,2,wg}
!Ala5 hn29& hn31 (7.70&7.78 ppm)
 assign (resid 5 and name hn) (resid 5 and name ha) 1.8 0 3.2 {w,7.70x4.46,06/23/99,0,wg}
 assign (resid 5 and name hn) (resid 5 and name hb*) 1.8 0 5.2 {w,7.70x1.19,06/23/99,1,wg}
 assign (resid 5 and name ha) (resid 5 and name hb*) 1.8 0 5.2 {w,4.46x1.19,11/10/99,1,wg}
!Lys6 hn9 &hn10 (8.25&8.20 ppm)
 assign (resid 6 and name hn) (resid 6 and name ha) 1.8 0 3.2 {w,8.25x4.87,06/23/99,0,wg}
 assign (resid 6 and name hn) (resid 6 and name hb*) 1.8 0 4.2 {w,8.25x1.71,1.87,06/23/99,1,wg}
 assign (resid 6 and name hn) (resid 6 and name hg*) 1.8 0 4.2 {w,8.25x1.45,06/23/99,1,wg}
 assign (resid 6 and name hn) (resid 6 and name hd*) 1.8 0 4.2 {w,8.25x1.55,06/23/99,1,wg}
 assign (resid 6 and name ha) (resid 6 and name hb*) 1.8 0 4.2 {w,4.87x1.71&1.87,03/09/00,1,wg}
 assign (resid 6 and name ha) (resid 6 and name hg*) 1.8 0 5.2 {vw,4.87x1.45,03/09/00,1,wg}
!Cys7 hn11 (7.93 ppm)
 assign (resid 7 and name hn) (resid 7 and name ha) 1.8 0 3.2 {w,7.93x4.86,06/23/99,0,wg}
 assign (resid 7 and name hn) (resid 7 and name hb1) 1.8 0 1.5 {m,7.93x2.87,06/23/99,0,wg}
 assign (resid 7 and name hn) (resid 7 and name hb2) 1.8 0 3.2 {w,7.93x3.19,06/23/99,0,wg}
 assign (resid 7 and name ha) (resid 7 and name hb1) 1.8 0 1.5 {m,4.86x2.87,01/31/00,0,wg}
 assign (resid 7 and name ha) (resid 7 and name hb2) 1.8 0 1.5 {m,4.86x3.19,01/31/00,0,wg}
!Arg8 hn28 (9.06 ppm)
 assign (resid 8 and name hn) (resid 8 and name ha) 1.8 0 3.2 {w,9.06x4.46,06/23/99,0,wg}
 assign (resid 8 and name hn) (resid 8 and name hb1) 1.8 0 3.2 {w,9.06x1.94,03/07/00,0,wg}
 assign (resid 8 and name hn) (resid 8 and name hb2) 1.8 0 1.5 {m,9.06x1.81,03/06/00,0,wg}
 assign (resid 8 and name hn) (resid 8 and name hg*) 1.8 0 4.2 {w,9.06x1.68,06/23/99,1,wg}
 assign (resid 8 and name ha) (resid 8 and name hb1) 1.8 0 1.5 {m,4.46x1.94,03/07/00,0,wg}
 assign (resid 8 and name ha) (resid 8 and name hb2) 1.8 0 3.2 {w,4.46x1.81,03/07/00,0,wg}
 assign (resid 8 and name ha) (resid 8 and name hg*) 1.8 0 4.2 {w,4.46x1.68,02/07/00,1,wg}
 assign (resid 8 and name hd*) (resid 8 and name hb1) 1.8 0 4.2 {w,2.23x1.94,03/07/00,1,wg}
 assign (resid 8 and name hd*) (resid 8 and name hb2) 1.8 0 4.2 {w,2.23x1.81,03/07/00,1,wg}
 assign (resid 8 and name hd*) (resid 8 and name hg*) 1.8 0 3.5 {m,2.23x1.68,02/07/00,2,wg}
 assign (resid 8 and name hh*) (resid 8 and name hd*) 1.8 0 4.2 {w,7.21x2.23,02/07/00,2,wg}
!Gly9 hn30 (7.96 ppm)
 assign (resid 9 and name hn) (resid 9 and name ha*) 1.8 0 4.2 {w,7.96x4.44&4.04,06/23/99,1,wg}
!Ser10 hn 37 (9.08 ppm)
 assign (resid 10 and name hn) (resid 10 and name ha) 1.8 0 3.2 {w,9.08x4.30,06/23/99,0,wg}
 assign (resid 10 and name hn) (resid 10 and name hb*) 1.8 0 4.2 {w,9.08x4.20&4.04,06/23/99,1,wg}
 assign (resid 10 and name ha) (resid 10 and name hb*) 1.8 0 2.5 {m,4.30x4.20&4.04,01/31/00,1,wg}
!Pro11
 assign (resid 11 and name ha) (resid 11 and name hb*) 1.8 0 4.2 {w,4.20x2.17&2.38,02/07/00,1,wg}
 assign (resid 11 and name ha) (resid 11 and name hg*) 1.8 0 5.2 {vw,4.20x2.00&1.85,02/07/00,1,wg}
 assign (resid 11 and name ha) (resid 11 and name hd*) 1.8 0 5.2 {vw,4.20x3.74&3.78,02/07/00,1,wg}
 assign (resid 11 and name hg*) (resid 11 and name hb*) 1.8 0 3.5 {m,2.00&1.85x2.17&2.38,02/08/00,2,wg}
 assign (resid 11 and name hd*) (resid 11 and name hb*) 1.8 0 6.2 {vw,3.74&3.78x2.17&2.38,02/07/00,2,wg}
 assign (resid 11 and name hd*) (resid 11 and name hg*) 1.8 0 5.2 {w,3.74&3.78x2.00&1.85,02/07/00,2,wg}
!Glu12 hn38 (7.89 ppm)
 assign (resid 12 and name hn) (resid 12 and name ha) 1.8 0 3.2 {w,7.89x4.20,06/23/99,0,wg}
 assign (resid 12 and name hn) (resid 12 and name hb*) 1.8 0 2.5 {m,7.89x2.19&2.13,06/23/99,1,wg}
 assign (resid 12 and name hn) (resid 12 and name hg*) 1.8 0 4.2 {w,7.89x2.58&2.30,06/23/99,1,wg}
 assign (resid 12 and name ha) (resid 12 and name hb*) 1.8 0 4.2 {w,4.20x2.19&2.13,03/09/00,1,wg}
 assign (resid 12 and name ha) (resid 12 and name hg*) 1.8 0 5.2 {vw,4.20x2.58&2.30,03/09/00,1,wg}
!Cys13 hn17 (8.23 ppm)
 assign (resid 13 and name hn) (resid 13 and name ha) 1.8 0 3.2 {w,7.82x4.64,06/23/99,0,wg}
 assign (resid 13 and name hn) (resid 13 and name hb1) 1.8 0 3.2 {w,7.82x2.86,02/18/00,0,wg} 
 assign (resid 13 and name hn) (resid 13 and name hb2) 1.8 0 1.5 {m,7.82x2.72,02/18/00,0,wg}
 assign (resid 13 and name ha) (resid 13 and name hb1) 1.8 0 1.5 {m,4.64x2.86,02/18/00,0,wg}
 assign (resid 13 and name ha) (resid 13 and name hb2) 1.8 0 3.2 {w,4.64x2.72,02/18/00,0,wg}
!Leu14 hn (7.60 ppm)
 assign (resid 14 and name hn) (resid 14 and name ha) 1.8 0 3.2 {w,7.60x3.93,06/23/99,0,wg}
 assign (resid 14 and name hn) (resid 14 and name hb1) 1.8 0 1.5 {m,7.60x1.71,02/16/00,0,wg}
 assign (resid 14 and name hn) (resid 14 and name hb2) 1.8 0 1.5 {m,7.60x2.04,02/16/00,0,wg}
 assign (resid 14 and name hn) (resid 14 and name hg) 1.8 0 4.2 {vw,7.60x1.44,02/01/00,1,wg}
 assign (resid 14 and name hn) (resid 14 and name hd*) 1.8 0 7.2 {vw,7.60x0.97&0.77,02/01/00,3,wg}
 assign (resid 14 and name ha) (resid 14 and name hb1) 1.8 0 3.2 {w,3.93x1.71,02/16/00,0,wg}
 assign (resid 14 and name ha) (resid 14 and name hb2) 1.8 0 1.5 {m,3.93x2.04,02/16/00,0,wg}
 assign (resid 14 and name ha) (resid 14 and name hg) 1.8 0 3.2 {w,3.93x1.44,02/11/00,0,wg}
 assign (resid 14 and name ha) (resid 14 and name hd*) 1.8 0 7.2 {vw,3.93x0.97&0.77,11/10/99,3,wg}
 assign (resid 14 and name hb*) (resid 14 and name hg) 1.8 0 2.5 {m,2.04&1.71x1.44,03/09/00,1,wg}
 assign (resid 14 and name hb*) (resid 14 and name hd*) 1.8 0 5.2 {w,2.04&1.71x0.97&0.77,03/09/00,2,wg}
 assign (resid 14 and name hg) (resid 14 and name hd*) 1.8 0 6.2 {w,1.44x0.97&0.77,11/10/99,3,wg}
!Pro15 
 assign (resid 15 and name ha) (resid 15 and name hb*) 1.8 0 2.5 {w,4.33x2.05,2.31,11/10/99,1,wg}
 assign (resid 15 and name hd*) (resid 15 and name hb*) 1.8 0 6.2 {vw,3.93&3.66x2.05&2.31,02/07/00,2,wg}
 assign (resid 15 and name hg*) (resid 15 and name hd*) 1.8 0 6.2 {w,1.87,1.72x3.93,3.66,11/10/99,2,wg}
 assign (resid 15 and name ha) (resid 15 and name hg*) 1.8 0 5.2 {vw,4.33x1.87&1.72,03/09/00,1,wg}
 assign (resid 15 and name ha) (resid 15 and name hd*) 1.8 0 5.2 {vw,4.33x3.93&3.66,03/09/00,1,wg}
!Lys16 hn44 &hn43 (6.46&6.41 ppm)
 assign (resid 16 and name hn) (resid 16 and name ha) 1.8 0 3.2 {w,6.46x4.13,06/23/99,0,wg}
 assign (resid 16 and name hn) (resid 16 and name hb1) 1.8 0 3.2 {w,6.46x1.74,03/08/00,0,wg}
 assign (resid 16 and name hn) (resid 16 and name hb2) 1.8 0 1.5 {m,6.46x1.85,03/08/00,0,wg}
 assign (resid 16 and name hn) (resid 16 and name hg*) 1.8 0 4.2 {w,6.46x1.63&1.51,06/23/99,1,wg}
 assign (resid 16 and name ha) (resid 16 and name hb1) 1.8 0 1.5 {m,4.13x1.74,03/08/00,0,wg}
 assign (resid 16 and name ha) (resid 16 and name hb2) 1.8 0 3.2 {w,4.13x1.85,03/08/00,0,wg}
 assign (resid 16 and name ha) (resid 16 and name hg*) 1.8 0 4.2 {w,4.13x1.63&1.51,03/09/00,1,wg}
 assign (resid 16 and name ha) (resid 16 and name hd*) 1.8 0 5.2 {vw,4.13x,03/09/00,1,wg}
!Cys17 hn19 &hn27 (8.74&8.62 ppm)
 assign (resid 17 and name hn) (resid 17 and name ha) 1.8 0 3.2 {w,8.74x4.53,06/23/99,0,wg}
 assign (resid 17 and name hn) (resid 17 and name hb*) 1.8 0 3.2 {w,8.74x2.94&3.19,06/23/99,1,wg}
 assign (resid 17 and name ha) (resid 17 and name hb*) 1.8 0 4.2 {w,4.53x2.94&3.19,01/31/00,1,wg}
!Lys18 hn21 &hn21' (8.19&8.16 ppm)
 assign (resid 18 and name hn) (resid 18 and name ha) 1.8 0 3.2 {w,8.19x3.53,06/23/99,0,wg}
 assign (resid 18 and name hn) (resid 18 and name hb1) 1.8 0 1.5 {m,8.19x2.00,03/08/00,0,wg}
 assign (resid 18 and name hn) (resid 18 and name hb2) 1.8 0 1.5 {m,8.19x1.55,03/08/00,0,wg}
 assign (resid 18 and name ha) (resid 18 and name hb1) 1.8 0 3.2 {w,3.53x2.00,03/08/00,0,wg}
 assign (resid 18 and name ha) (resid 18 and name hb2) 1.8 0 1.5 {m,3.53x1.55,03/08/00,0,wg}
 assign (resid 18 and name ha) (resid 18 and name hg*) 1.8 0 4.2 {w,3.53x1.15,03/08/00,1,wg}
 assign (resid 18 and name ha) (resid 18 and name hd*) 1.8 0 5.2 {vw,3.53x1.39,03/08/00,1,wg}
 assign (resid 18 and name hb1) (resid 18 and name hg*) 1.8 0 4.2 {w,2.00x1.15,03/09/00,1,wg}
 assign (resid 18 and name hb2) (resid 18 and name hg*) 1.8 0 4.2 {w,1.55x1.15,03/09/00,1,wg}
 assign (resid 18 and name hb1) (resid 18 and name hd*) 1.8 0 5.2 {vw,2.00x1.39,03/09/00,1,wg}
 assign (resid 18 and name hb2) (resid 18 and name hd*) 1.8 0 5.2 {vw,1.55x1.39,03/09/00,1,wg}
!Glu19 hn42 &hn41 (7.58&7.72 ppm)
 assign (resid 19 and name hn) (resid 19 and name ha) 1.8 0 3.2 {w,7.58x4.05,06/23/99,0,wg}
 assign (resid 19 and name hn) (resid 19 and name hb*) 1.8 0 4.2 {w,7.58x2.14,06/23/99,1,wg}
 assign (resid 19 and name hn) (resid 19 and name hg*) 1.8 0 5.2 {vw,7.58x2.48&2.53,06/23/99,1,wg}
 assign (resid 19 and name ha) (resid 19 and name hb*) 1.8 0 2.5 {m,4.05x2.14,01/31/00,1,wg}
!Ala20 hn33 &hn34 (7.90&7.85 ppm)
 assign (resid 20 and name hn) (resid 20 and name ha) 1.8 0 3.2 {w,7.90x4.33,06/23/99,0,wg}
 assign (resid 20 and name hn) (resid 20 and name hb*) 1.8 0 5.2 {w,7.90x1.57,06/23/99,1,wg}
!Ile21 hn13 (8.59 ppm)
 assign (resid 21 and name hn) (resid 21 and name ha) 1.8 0 3.2 {w,8.59x4.73,06/23/99,0,wg}
 assign (resid 21 and name hn) (resid 21 and name hb) 1.8 0 3.2 {w,8.59x2.30,06/23/99,0,wg}
 assign (resid 21 and name hn) (resid 21 and name hg1*) 1.8 0 4.2 {w,8.59x,03/09/00,1,wg}
 assign (resid 21 and name hn) (resid 21 and name hg2*) 1.8 0 4.2 {w,8.59x,03/09/00,1,wg}
 assign (resid 21 and name hn) (resid 21 and name hd*) 1.8 0 5.2 {vw,8.59x,03/09/00,1,wg}
!Gly22 hn35 (7.61 ppm)
 assign (resid 22 and name hn) (resid 22 and name ha*) 1.8 0 4.2 {w,7.61x4.35&3.95,06/23/99,1,wg}
!Lys23 hn24 &hn25 (7.03&6.96 ppm)
 assign (resid 23 and name hn) (resid 23 and name ha) 1.8 0 3.2 {w,7.03x4.56,06/23/99,0,wg}
 assign (resid 23 and name hn) (resid 23 and name hb*) 1.8 0 4.2 {w,7.03x1.66&1.77,06/23/99,1,wg}
 assign (resid 23 and name hn) (resid 23 and name hg*) 1.8 0 5.2 {vw,7.03x1.38,02/01/00,1,wg}
 assign (resid 23 and name hn) (resid 23 and name hd*) 1.8 0 4.2 {w,7.03x1.29,02/01/00,1,wg}
 assign (resid 23 and name ha) (resid 23 and name hb*) 1.8 0 2.5 {m,4.56x1.66&1.77,01/31/00,1,wg}
!Ala24 hn (8.6 ppm)
 assign (resid 24 and name hn) (resid 24 and name ha) 1.8 0 3.2 {w,8.60x4.53,06/23/99,0,wg}
 assign (resid 24 and name hn) (resid 24 and name hb*) 1.8 0 5.2 {w,8.60x1.19,06/23/99,1,wg}
 assign (resid 24 and name ha) (resid 24 and name hb*) 1.8 0 3.5 {m,4.53x1.19,11/10/99,1,wg}
!Ala25 hn23 & hn26(7.55 & 7.61 ppm)
 assign (resid 25 and name hn) (resid 25 and name ha) 1.8 0 3.2 {w,7.55x4.57,06/23/99,0,wg}
 assign (resid 25 and name hn) (resid 25 and name hb*) 1.8 0 5.2 {w,7.55x1.36,06/23/99,1,wg}
 assign (resid 25 and name ha) (resid 25 and name hb*) 1.8 0 3.5 {m,4.57x1.36,11/10/99,1,wg}
!Gly26 hn39 (7.69 ppm)
 assign (resid 26 and name hn) (resid 26 and name ha*) 1.8 0 2.5 {m,7.69x4.30,06/23/99,1,wg}
!Lys27 hn18 &hn20 (8.74&8.82 ppm)
 assign (resid 27 and name hn) (resid 27 and name ha) 1.8 0 3.2 {w,8.74x4.59,06/23/99,0,wg}
 assign (resid 27 and name hn) (resid 27 and name hb1) 1.8 0 3.2 {w,8.74x1.70,03/08/00,0,wg}
 assign (resid 27 and name hn) (resid 27 and name hb2) 1.8 0 1.5 {m,8.74x1.77,03/08/00,0,wg}
 assign (resid 27 and name hn) (resid 27 and name hg*) 1.8 0 4.2 {w,8.74x0.82&0.64,02/07/00,1,wg}
 assign (resid 27 and name hn) (resid 27 and name hd*) 1.8 0 5.2 {vw,8.74x1.47,02/07/00,1,wg}
 assign (resid 27 and name ha) (resid 27 and name hb1) 1.8 0 1.5 {m,4.56x1.70,03/08/00,0,wg}
 assign (resid 27 and name ha) (resid 27 and name hb2) 1.8 0 3.2 {w,4.56x1.77,03/08/00,0,wg}
 assign (resid 27 and name hz*) (resid 27 and name hb1) 1.8 0 5.2 {vw,6.95x1.70,03/08/00,1,wg}
 assign (resid 27 and name hz*) (resid 27 and name hb2) 1.8 0 5.2 {vw,6.95x1.77,03/08/00,1,wg}
 assign (resid 27 and name hz*) (resid 27 and name hg*) 1.8 0 6.2 {vw,6.95x0.77,02/08/00,2.wg}
 assign (resid 27 and name hz*) (resid 27 and name he*) 1.8 0 5.2 {w,6.95x2.92,02/08/00,2,wg}
!Cys28 hn14 (8.53 ppm)
 assign (resid 28 and name hn) (resid 28 and name ha) 1.8 0 3.2 {w,8.67x4.85,06/23/99,0,wg}
 assign (resid 28 and name hn) (resid 28 and name hb1) 1.8 0 1.5 {m,8.67x2.79,02/16/00,0,wg}
 assign (resid 28 and name hn) (resid 28 and name hb2) 1.8 0 1.5 {m,8.67x2.64,02/16/00,0,wg}
 assign (resid 28 and name ha) (resid 28 and name hb1) 1.8 0 1.5 {w,4.86x2.64,02/16/00,0,wg}
 assign (resid 28 and name ha) (resid 28 and name hb2) 1.8 0 3.2 {w,4.86x2.79,02/16/00,0,wg}
!Met29 hn3 &hn2 (9.20&9.25 ppm)
 assign (resid 29 and name hn) (resid 29 and name ha) 1.8 0 3.2 {w,9.20x4.83,06/23/99,0,wg}
 assign (resid 29 and name hn) (resid 29 and name hb*) 1.8 0 4.2 {w,9.20x2.23&1.91,06/23/99,1,wg}
 assign (resid 29 and name hn) (resid 29 and name hg*) 1.8 0 4.2 {w,9.20x2.52,06/23/99,1,wg}
 assign (resid 29 and name ha) (resid 29 and name hb*) 1.8 0 2.5 {m,4.83x2.23&1.91,01/31/00,1,wg}
!Asn30 hn1 (9.31 ppm)
 assign (resid 30 and name hn) (resid 30 and name ha) 1.8 0 3.2 {w,9.31x4.35,06/23/99,0,wg}
 assign (resid 30 and name hn) (resid 30 and name hb*) 1.8 0 4.2 {w,9.31x3.06&2.78,06/23/99,1,wg}
 assign (resid 30 and name ha) (resid 30 and name hb*) 1.8 0 2.5 {m,4.35x3.06&2.78,01/31/00,1,wg}
!Gly31 hn40 (7.98 ppm)
 assign (resid 31 and name hn) (resid 31 and name ha*) 1.8 0 3.2 {w,7.98x4.05&4.15,06/23/99,1,wg}
!Lys32 hn47 &hn48 (7.72&7.68 ppm)
 assign (resid 32 and name hn) (resid 32 and name ha) 1.8 0 3.2 {w,7.72x5.27,06/23/99,0,wg}
 !assign (resid 32 and name hn) (resid 32 and name hb*) 1.8 0 4.2 {w,7.72x1.79&1.97,06/23/99,1,wg}
 assign (resid 32 and name hn) (resid 32 and name hb1) 1.8 0 3.2 {w,7.72x1.97,03/01/00,0,wg}
  assign (resid 32 and name hn) (resid 32 and name hb2) 1.8 0 1.5 {m,7,72x1.75,03/01/00,0,wg}
 !assign (resid 32 and name ha) (resid 32 and name hb*) 1.8 0 2.5 {m,5.27x1.79&1.97,01/31/00,1,wg}
 assign (resid 32 and name ha) (resid 32 and name hb1) 1.8 0 1.5 {m,5.27x1.97,03/01/00,0,wg}
 assign (resid 32 and name ha) (resid 32 and name hb2) 1.8 0 3.2 {w,5.27x1.79,03/01/00,0,wg}
!Cys33 hn7 &hn8 (8.20&8.12 ppm)
 assign (resid 33 and name hn) (resid 33 and name ha) 1.8 0 3.2 {w,8.20x4.94,06/23/99,0,wg}
 assign (resid 33 and name hn) (resid 33 and name hb1) 1.8 0 1.5 {m,8.20x2.53,02/18/00,0,wg}
 assign (resid 33 and name hn) (resid 33 and name hb2) 1.8 0 1.5 {m,8.20x2.62,02/18/00,0,wg}
 assign (resid 33 and name ha) (resid 33 and name hb1) 1.8 0 3.2 {w,4.94x2.53,02/18/00,0,wg}
 assign (resid 33 and name ha) (resid 33 and name hb2) 1.8 0 1.5 {m,4.94x2.62,02/18/00,0,wg}
!Lys34 hn32 &hn36 (9.17&9.23 ppm)
 assign (resid 34 and name hn) (resid 34 and name ha) 1.8 0 3.2 {w,9.17x4.42,06/23/99,0,wg}
 assign (resid 34 and name hn) (resid 34 and name hb1) 1.8 0 3.2 {w,9.17x1.27,03/08/00,0,roe}
 assign (resid 34 and name hn) (resid 34 and name hb2) 1.8 0 1.5 {m,9.17x1.57,03/08/00,0,roe}
 assign (resid 34 and name hn) (resid 34 and name hg*) 1.8 0 5.2 {vw,9.17x0.64&0.82,06/23/99,1,wg}
 assign (resid 34 and name hn) (resid 34 and name hd*) 1.8 0 5.2 {vw,9.17x1.27&1.47,06/23/99,1,wg}
 assign (resid 34 and name ha) (resid 34 and name hb1) 1.8 0 1.5 {m,4.42x1.27,03/08/00,0,wg}
 assign (resid 34 and name ha) (resid 34 and name hb2) 1.8 0 3.2 {w,4.42x1.57,03/08/00,0,wg}
 assign (resid 34 and name hz*) (resid 34 and name hb1) 1.8 0 5.2 {vw,6.59x1.27,03/08/00,1,wg}
 assign (resid 34 and name hz*) (resid 34 and name hb2) 1.8 0 5.2 {vw,6.59x1.57,03/08/00,1,wg}
 assign (resid 34 and name hz*) (resid 34 and name hg*) 1.8 0 6.2 {vw,6.59x0.64&0.88,02/08/00,2,wg}
 assign (resid 34 and name hz*) (resid 34 and name hd*) 1.8 0 5.2 {w,6.59x1.47,02/08/00,2,wg}
 assign (resid 34 and name hz*) (resid 34 and name he*) 1.8 0 5.2 {w,6.59x2.70,02/08/00,2,wg}
!Cys35 hn45 &hn46 (8.52&8.45 ppm)
 assign (resid 35 and name hn) (resid 35 and name ha) 1.8 0 3.2 {w,8.52x5.37,06/23/99,0,wg}
 assign (resid 35 and name hn) (resid 35 and name hb1) 1.8 0 3.2 {w,8.52x3.17,02/17/00,0,wg}
 assign (resid 35 and name hn) (resid 35 and name hb2) 1.8 0 1.5 {m,8.52x2.30,02/17/00,0,wg}
 assign (resid 35 and name ha) (resid 35 and name hb1) 1.8 0 1.5 {m,5.37x3.27,02/17/00,0,wg}
 assign (resid 35 and name ha) (resid 35 and name hb2) 1.8 0 3.2 {w,5.37x2.30,02/17/00,0,wg}
!Tyr36 hn6 (7.83 ppm)
 assign (resid 36 and name hn) (resid 36 and name ha) 1.8 0 3.2 {w,7.83x5.03,06/23/99,0,wg}
 assign (resid 36 and name hn) (resid 36 and name hb1) 1.8 0 3.2 {w,7.83x3.06,03/01/00,0,wg}
 assign (resid 36 and name hn) (resid 36 and name hb2) 1.8 0 1.5 {m,7.83x2.65,03/01/00,0,wg}
 assign (resid 36 and name ha) (resid 36 and name hb1) 1.8 0 1.5 {m,5.03x3.06,03/01/00,0,wg}
 assign (resid 36 and name ha) (resid 36 and name hb2) 1.8 0 3.2 {w,5.03x2.65,03/01/00,0,wg}
 assign (resid 36 and name hd*) (resid 36 and name ha) 1.8 0 5.5 {w,x5.03,06/23/99,2.3,wg}
 assign (resid 36 and name hd*) (resid 36 and name hb1) 1.8 0 5.5 {w,x3.06,03/01/00,2.3,wg}
 assign (resid 36 and name hd*) (resid 36 and name hb2) 1.8 0 3.8 {m,x2.65,03/01/00,2.3,wg}
 assign (resid 36 and name he*) (resid 36 and name hb1) 1.8 0 6.5 {vw,6.57x3.06,03/01/00,2.3,wg} 
 assign (resid 36 and name he*) (resid 36 and name hb2) 1.8 0 6.5 {vw,6.57x2.65,03/01/00,2.3,wg}
 assign (resid 36 and name he*) (resid 36 and name ha) 1.8 0 6.5 {vw,6.57x5.03,02/07/00,2.3,wg}
!Pro37 
 assign (resid 37 and name ha) (resid 37 and name hb*) 1.8 0 5.2 {vw,4.17x1.96&2.18,02/07/00,1,wg}
 assign (resid 37 and name ha) (resid 37 and name hg*) 1.8 0 5.2 {vw,4.17x1.83,02/07/00,1,wg}
 assign (resid 37 and name hd*) (resid 37 and name hb*) 1.8 0 6.2 {vw,3.62&3.78x1.96&2.18,02/07/00,2,wg}
 assign (resid 37 and name hd*) (resid 37 and name hg*) 1.8 0 5.2 {w,3.62&3.78x1.83,02/07/00,2,wg}
!  Short.tbl
!  This table is for Short Range NOE's

!Phe2 hn4& hn5 (9.03&9.06 ppm)
 ! Sequential NOE's
  assign (resid 2 and name hn) (resid 1 and name ha) 1.8 0 1.0 {s,>10,9.03x4.33,11/18,0,wg} 
  assign (resid 2 and name hn) (resid 1 and name hb) 1.8 0 3.2 {w,5,9.03x2.21,07/15/99,0,wg}
  assign (resid 2 and name hn) (resid 1 and name hg*) 1.8 0 7.2 {vw,3&5,9.03x0.97&0.92,02/14/00,2,wg}
  assign (resid 2 and name ha) (resid 3 and name hg1*) 1.8 0 5.2 {vw,5.09x1.24&1.15,01/25/00,wg}
  assign (resid 2 and name hd*) (resid 1 and name ha) 1.8 0 5.5 {w,x.33,04/20,2.3,wg}
  assign (resid 2 and name hd*) (resid 1 and name hb) 1.8 0 6.5 {vw,x2.21,08/02/99,2.3,wg}
  assign (resid 2 and name he*) (resid 1 and name hb) 1.8 0 5.2 {w,x2.21,08/02/99,2.3,wg}
!Ile3 hn22& hn16 (8.37&8.23 ppm)
 ! Sequential NOE's
  assign (resid 3 and name hn) (resid 2 and name ha) 1.8 0 1.0 {s,>10,8.37x5.09,11/18,0,wg}
  assign (resid 3 and name hn) (resid 2 and name hb2) 1.8 0 3.2 {m,8.37x2.97,02/18/00,0,wg}
  assign (resid 3 and name hn) (resid 2 and name hb1) 1.8 0 1.5 {m,8.37x3.09,02/18/00,0,wg}
  assign (resid 3 and name hn) (resid 2 and name hn) 1.8 0 4.2 {vw,2,8.37x9.03,04/20,0,wg}
!Asn4 hn12 (8.67 ppm)
 ! Sequential NOE's
  assign (resid 4 and name hn) (resid 3 and name ha) 1.8 0 1.5 {s,>10,8.67x4.69,11/18,0,wg}
  assign (resid 4 and name hn) (resid 3 and name hn) 1.8 0 3.2 {w,5,8.67,04/20,0,wg}
  assign (resid 4 and name hn) (resid 3 and name hb) 1.8 0 1.5 {s,9-10,8.67x,07/23,0,wg}
  assign (resid 4 and name hn) (resid 3 and name hg1*) 1.8 0 4.2 {w,8.67x1.24&1.15,07/07/99,1,wg}
  assign (resid 4 and name hn) (resid 3 and name hg2*) 1.8 0 5.2 {vw,8.67x0.82,07/07/99,1,wg}
  assign (resid 4 and name hn) (resid 3 and name hd*) 1.8 0 5.2 {w,4,8.67x0.69,07/07/99,2,wg}
!Ala5 hn29& hn31 (7.70&7.78 ppm)
 !Sequential NOE's
  assign (resid 5 and name hn) (resid 4 and name hn) 1.8 0 3.2 {w,6,7.70x8.67,06/29,0,wg}
  assign (resid 5 and name hn) (resid 4 and name ha) 1.8 0 3.2 {w,7.70x02/28,0,wg}
  assign (resid 5 and name hn) (resid 4 and name hb*) 1.8 0 4.2 {w,5,7.70x2.79&2.64,01/23,1,wg}
!Lys6 hn9 &hn10 (8.25&8.20 ppm)
 ! Sequential NOE's
  assign (resid 6 and name hn) (resid 5 and name hn) 1.8 0 3.2 {w,5-6,8.25x7.70,06/29,0,wg}
  assign (resid 6 and name hn) (resid 5 and name ha) 1.8 0 1.5 {m,8,8.25x4.46,11/18,0,wg}
  assign (resid 6 and name hn) (resid 5 and name hb*) 1.8 0 3.0 {s,8.25x1.19,04/08,2,wg}
!Cys7 hn11 (7.93 ppm)
 ! Sequential NOE's
  assign (resid 7 and name hn) (resid 6 and name ha) 1.8 0 1.5 {m,7.93x,07/22,0,wg}
  assign (resid 7 and name hn) (resid 6 and name hn) 1.8 0 4.2 {vw,3,7.93x8.25,01/06/99,0,wg}
  assign (resid 7 and name hn) (resid 6 and name hb*) 1.8 0 2.5 {m,7,7.93x1.71,02/28,1,wg}
  assign (resid 7 and name hn) (resid 6 and name hg*) 1.8 0 5.2 {vw,3,7.93x1.45,05/19,1,wg}
  assign (resid 7 and name hn) (resid 6 and name hd*) 1.8 0 5.2 {vw,3,7.93x1.55,05/19,1,wg}
  assign (resid 7 and name ha) (resid 6 and name hb*) 1.8 0 4.2 {w,4.86x1.71&1.87,04/20/00,1,wg} 
  assign (resid 7 and name ha) (resid 6 and name hg*) 1.8 0 5.2 {vw,4.86x1.44,04/20/00,1,wg}
  assign (resid 7 and name ha) (resid 6 and name hd*) 1.8 0 5.2 {vw,4.86x1.55,04/20/00,1,wg}
  assign (resid 7 and name hn) (resid 8 and name ha) 1.8 0 4.2 {vw,7.93x4.46,04/03/00,0,wg}
  assign (resid 7 and name ha) (resid 8 and name hb1) 1.8 0 4.2 {vw,4.86x1.94,04/21/00,0,wg}
  assign (resid 7 and name ha) (resid 8 and name hb2) 1.8 0 4.2 {vw,4.86x1.81,04/21/00,0,wg}
  assign (resid 7 and name ha) (resid 8 and name hg*) 1.8 0 5.2 {vw,4.86x1.68,04/21/00,1,wg}
!Arg8 hn28 (9.06 ppm)
 ! Sequential NOE's
  assign (resid 8 and name hn) (resid 7 and name ha) 1.8 0 1.0 {s,>10,9.06x4.86,11/18,0,wg}
  assign (resid 8 and name hn) (resid 7 and name hb1) 1.8 0 3.2 {w,9.06x2.87,02/28,0,wg}
  assign (resid 8 and name hn) (resid 7 and name hb2) 1.8 0 1.5 {m,9.06x3.19,02/28,0,wg}
  assign (resid 8 and name ha) (resid 7 and name hb1) 1.8 0 4.2 {vw,x2.87,07/21,0,wg}
  assign (resid 8 and name ha) (resid 7 and name hb2) 1.8 0 3.2 {w,x3.19,07/21,0,wg}
  assign (resid 8 and name hn) (resid 9 and name ha*) 1.8 0 5.2 {w,9.06x4.44,4.04,05/11/00,1,wg}
!Gly9 hn30 (7.96 ppm)
 ! Sequential NOE's
  assign (resid 9 and name hn) (resid 8 and name ha) 1.8 0 3.2 {w,7.69x,07/22,0,wg}
  assign (resid 9 and name hn) (resid 8 and name hn) 1.8 0 1.0 {s,9,7.69x9.06,01/06/99,0,wg}
  assign (resid 9 and name hn) (resid 8 and name hb1) 1.8 0 3.2 {w,7.96x1.94,03/07/00,0,wg}
  assign (resid 9 and name hn) (resid 8 and name hb2) 1.8 0 1.5 {m,7.96x1.81,03/07/00,0,wg}
  assign (resid 9 and name hn) (resid 8 and name hg*) 1.8 0 5.2 {vw,7.96x1.68,02/28,1,wg}
!Ser10 hn 37 (9.08 ppm)
 ! Sequential NOE's
  assign (resid 10 and name hn) (resid 9 and name ha*) 1.8 0 2.5 {m,8,9.08x4.44,4.04,02/28,1,wg}
!Pro11
 ! Sequential NOE's
  assign (resid 11 and name hd*) (resid 10 and name hn) 1.8 0 2.0 {s,9,3.74,3.78x9.08,05/19,1,wg}
  assign (resid 11 and name hd*) (resid 10 and name ha) 1.8 0 5.2 {vw,3.74,3.78x4.30,05/19,1,wg}
  assign (resid 11 and name hb*) (resid 10 and name hb*) 1.8 0 5.2 {w,4.20,4.04x2.38,2.17,06/29,2,wg}
  assign (resid 11 and name hg*) (resid 10 and name hn) 1.8 0 5.2 {vw,x9.08,07/24,1,wg}
!Glu12 hn38 (7.89 ppm)
 ! Sequential NOE's
  assign (resid 12 and name hn) (resid 11 and name hd*) 1.8 0 2.0 {s,~7,7.89x3.74,3.78,05/19,1,wg}
  assign (resid 12 and name hn) (resid 11 and name hb*) 1.8 0 4.2 {w,7.89x2.38,2.17,05/19,1,wg}
  assign (resid 12 and name hn) (resid 11 and name hg*) 1.8 0 4.2 {w,3&10,7.89x,07/22,1,wg}
  assign (resid 12 and name hn) (resid 13 and name hb1) 1.8 0 4.2 {vw,7.89x2.86,02/18/00,0,wg}
  assign (resid 12 and name hn) (resid 13 and name hb2) 1.8 0 4.2 {vw,7.89x2.72,02/18/00,0,wg}
!Cys13 hn17 (8.23 ppm)
 ! Sequential NOE's
  assign (resid 13 and name hn) (resid 12 and name hn) 1.8 0 1.0 {s,10,8.23x7.89,07/16/99,0,wg}
  assign (resid 13 and name hn) (resid 12 and name ha) 1.8 0 3.2 {w,8.23x4.20,02/28,0,wg}
  assign (resid 13 and name hn) (resid 12 and name hb*) 1.8 0 4.2 {w,4,8.23x,01/11/99,1,wg}
  assign (resid 13 and name hn) (resid 12 and name hg*) 1.8 0 4.2 {w,5&5,8.23x,01/11/99,1,wg}
  assign (resid 13 and name hn) (resid 14 and name hb*) 1.8 0 5.2 {vw,8.23x1.71&2.04,02/16/00,1,wg}
  assign (resid 13 and name hn) (resid 14 and name hd*) 1.8 0 6.2 {vw,3,8.23x0.97&0.77,02/14/00,2,wg}
!Lys14 hn (7.60 ppm)
 ! Sequential NOE's
  assign (resid 14 and name hn) (resid 13 and name hn) 1.8 0 1.0 {s,10,7.60x8.23,06/16/99,0,wg}
  assign (resid 14 and name hn) (resid 13 and name hb1) 1.8 0 3.2 {w,7.60x2.86,02/18/00,0,wg}
  assign (resid 14 and name hn) (resid 13 and name hb2) 1.8 0 3.2 {w,7.60x2.72,02/18/00,0,wg}
!Pro15 
 ! Sequential NOE's
  assign (resid 15 and name hd*) (resid 14 and name hn) 1.8 0 2.0 {s,8&ov,3.93,3.66x7.60,06/16/99,1,wg}
  assign (resid 15 and name hd*) (resid 14 and name hb1) 1.8 0 4.2 {w,3.93&3.66x1.71,1,03/08/00,wg}
  assign (resid 15 and name hd*) (resid 14 and name hb2) 1.8 0 2.5 {m,3.93&3.66x2.04,1,03/08/00,wg}
  assign (resid 15 and name hd*) (resid 14 and name hg) 1.8 0 4.2 {w,3.93&3.66x1.44,02/14/00,1,wg}
  assign (resid 15 and name hd*) (resid 14 and name hd*) 1.8 0 8.2 {vw,3.93&3.66x0.97&0.77,02/14/00,3,wg}
!Lys16 hn44 &hn43 (6.46&6.41 ppm)
 ! Sequential NOE's
  assign (resid 16 and name hn) (resid 15 and name ha) 1.8 0 3.2 {w,4,6.46x4.33,05/19,0,wg}
  assign (resid 16 and name hn) (resid 15 and name hb*) 1.8 0 4.2 {w,3&6,6.46x2.31,2.05,05/19,1,wg}
  assign (resid 16 and name hn) (resid 15 and name hd*) 1.8 0 4.2 {w,3&6,6.46x3.93,3.66,05/19,1,wg}
!Cys17 hn19 &hn27 (8.74&8.62 ppm)
 ! Sequential NOE's
  assign (resid 17 and name hn) (resid 16 and name hn) 1.8 0 1.0 {s,~10,8.74x6.46,11/18,0,wg}
  assign (resid 17 and name hn) (resid 16 and name hb1) 1.8 0 3.2 {w,8.74x1.74,03/08/00,0,wg}
  assign (resid 17 and name hn) (resid 16 and name hb2) 1.8 0 1.5 {m,8.74x1.85,03/08/00,0,wg}
!Lys18 hn21 &hn21' (8.19&8.16 ppm)
 ! Sequential NOE's
  assign (resid 18 and name hn) (resid 17 and name hn) 1.8 0 1.0 {s,>10,8.19x8.74,11/18,0,wg}
  assign (resid 18 and name hn) (resid 17 and name hb*) 1.8 0 2.5 {m,7&ov,8.19x2.94&3.19,05/13,1,wg}
!Glu19 hn42 &hn41 (7.58&7.72 ppm)
 ! Sequential NOE's
  assign (resid 19 and name hn) (resid 18 and name hn) 1.8 0 1.0 {s,10,7.58x8.19,11/18,0,wg}
  assign (resid 19 and name hn) (resid 18 and name hb2) 1.8 0 3.2 {w,7.58x1.55,03/08/00,0,wg}
  assign (resid 19 and name hn) (resid 18 and name hg*) 1.8 0 5.2 {vw,7.58x,11/11/99,1,wg}
  assign (resid 19 and name hn) (resid 18 and name hd*) 1.8 0 5.2 {vw,7.58x,11/11/99,1,wg}
!Ala20 hn33 &hn34 (7.90&7.85 ppm)
 ! Sequential NOE's
  assign (resid 20 and name hn) (resid 19 and name hn) 1.8 0 1.0 {s,>10,7.85x7.58,11/18,0,wg}
  assign (resid 20 and name hn) (resid 19 and name ha) 1.8 0 3.2 {w,7.85x.05,05/19,0,wg}
  assign (resid 20 and name hn) (resid 19 and name hb*) 1.8 0 2.5 {s,7.85x2.14,04/08/1,wg}
  assign (resid 20 and name hn) (resid 19 and name hg*) 1.8 0 6.2 {vw, 7.85x,01/07/99,1,wg}
!Ile21 hn13 (8.59 ppm)
 ! Sequential NOE's
  assign (resid 21 and name hn) (resid 20 and name hn) 1.8 0 1.0 {s,>10,.59x7.85,11/18,0,wg}
  assign (resid 21 and name hn) (resid 20 and name hb*) 1.8 0 3.5 {m,8.59x1.57,05/13,2,wg}
  assign (resid 21 and name ha) (resid 20 and name hb*) 1.8 0 6.2 {vw,4.73x1.57,06/29,2,wg}
!Gly22 hn35 (7.61 ppm)
 ! Sequential NOE's
  assign (resid 22 and name hn) (resid 21 and name hn) 1.8 0 1.0 {s,>10,7.61x8.59,11/18,0,wg}
  assign (resid 22 and name hn) (resid 21 and name ha) 1.8 0 3.2 {w,5,7.61x,07/23,0,wg}
  assign (resid 22 and name hn) (resid 21 and name hb*) 1.8 0 5.2 {vw,3,7.61x2.30,05/13,1,wg}
!Lys23 hn24 &hn25 (7.03&6.96 ppm)
 ! Sequential NOE's
  assign (resid 23 and name hn) (resid 22 and name hn) 1.8 0 1.5 {m,7.03x7.61,01/21/99,0,wg}
  assign (resid 23 and name hn) (resid 22 and name ha*) 1.8 0 4.2 {w,4,7.03x4.35,3.95,02/28,1,wg}
!Ala24 hn (8.6 ppm)
 ! Sequential NOE's
  assign (resid 24 and name hn) (resid 23 and name hn) 1.8 0 4.2 {vw,3,8.60x7.03,07/17/99,0,wg}
  assign (resid 24 and name hn) (resid 23 and name ha) 1.8 0 1.5 {m,8.60x,07/17/99,0,wg}
  assign (resid 24 and name hn) (resid 23 and name hb*) 1.8 0 4.2 {w,5,8.60x,07/17/99,1,wg}
  assign (resid 24 and name hn) (resid 23 and name hg*) 1.8 0 5.2 {vw,3,8.60x,07/17/99,1,wg}
  assign (resid 24 and name hn) (resid 23 and name hd*) 1.8 0 5.2 {vw,3,8.60x,07/17/99,1,wg}
  assign (resid 24 and name hn) (resid 25 and name hb*) 1.8 0 6.2 {vw,8.60x1.36,03/12/00,2,wg}
!Ala25 hn23 & hn26(7.55 & 7.61 ppm)
 ! Sequential NOE's
  assign (resid 25 and name hn) (resid 24 and name hn) 1.8 0 3.2 {w,4,7.55x8.60,06/16/99,0,wg}
  assign (resid 25 and name hn) (resid 24 and name ha) 1.8 0 1.0 {s,7.55x4.56,11/18,0,wg}
  assign (resid 25 and name hn) (resid 24 and name hb*) 1.8 0 5.2 {w,5,7.55x,06/16/99,2,wg}
!Gly26 hn39 (7.69 ppm)
 ! Sequential NOE's
  assign (resid 26 and name hn) (resid 25 and name ha) 1.8 0 1.0 {s,>10,7.69x4.57,11/18,0,wg}
  assign (resid 26 and name hn) (resid 25 and name hb*) 1.8 0 3.5 {m,5,7.69x,07/23,2,wg}
!Lys27 hn18 &hn20 (8.74&8.82 ppm)
 ! Sequential NOE's
  assign (resid 27 and name hn) (resid 26 and name ha*) 1.8 0 2.0 {s,>10,8.82x4.30&4.13,11/18,1,wg}
  assign (resid 27 and name hn) (resid 26 and name hn) 1.8 0 4.2 {vw,3,8.82x7.69,04/20,0,wg}
!Cys28 hn14 (8.53 ppm)
 ! Sequential NOE's
  assign (resid 28 and name hn) (resid 27 and name ha) 1.8 0 1.0 {s,8.53x4.56,11/18,0,wg}
  assign (resid 28 and name hn) (resid 27 and name hb1) 1.8 0 3.2 {w,8.53x1.70,03/08/00,0,wg}
  assign (resid 28 and name hn) (resid 27 and name hb2) 1.8 0 1.5 {m,8.53x1.77,03/08/00,0,wg}
!Met29 hn3 &hn2 (9.20&9.25 ppm)
 ! Sequential NOE's
  assign (resid 29 and name hn) (resid 28 and name hn) 1.8 0 4.2 {vw,3,9.20x8.53,05/18,0,wg}
  assign (resid 29 and name hn) (resid 28 and name ha) 1.8 0 1.0 {s,9.20x4.83,05/12,0,wg}
  assign (resid 29 and name hn) (resid 28 and name hb1) 1.8 0 4.2 {vw,9.20x2.79,02/16/00,0,wg}
  assign (resid 29 and name hn) (resid 28 and name hb2) 1.8 0 4.2 {vw,9.20x2.64,02/16/00,0,wg}
!Asn30 hn1 (9.31 ppm)
 ! Sequential NOE's
  assign (resid 30 and name hn) (resid 29 and name ha) 1.8 0 1.0 {s,9.31x4.83,11/18,0,wg}
  assign (resid 30 and name hn) (resid 29 and name hb*) 1.8 0 5.2 {vw,3&3,9.31x2.23&1.91,1,wg}
  assign (resid 30 and name hn) (resid 29 and name hg*) 1.8 0 4.2 {w,49.31x,07/23,1,wg}
!Gly31 hn40 (7.98 ppm)
 ! Sequential NOE's
  assign (resid 31 and name hn) (resid 30 and name hn) 1.8 0 1.0 {s,>10,9.31x7.89,12/02,0,wg}
  assign (resid 31 and name hn) (resid 30 and name ha) 1.8 0 3.2 {w,7.98x4.84,11/18,0,wg}
  assign (resid 31 and name hn) (resid 30 and name hb*) 1.8 0 5.2 {vw,7.98x3.06,2.78,02/28,1,wg} 
!Lys32 hn47 &hn48 (7.72&7.68 ppm)
 ! Sequential NOE's
  assign (resid 32 and name hn) (resid 31 and name ha*) 1.8 0 4.2 {w,7.68x4.05&4.15,11/18,1,wg}
  assign (resid 32 and name hn) (resid 31 and name hn) 1.8 0 1.0 {s,7.68x7.98,04/20,0,wg}
!Cys33 hn7 &hn8 (8.20&8.12 ppm)
 ! Sequential NOE's 
  assign (resid 33 and name hn) (resid 32 and name ha) 1.8 0 1.0 {s,>10,8.12x5.27,11/18,0,wg}
  assign (resid 33 and name hn) (resid 32 and name hb1) 1.8 0 3.2 {w,8.12x1.97,03/01/00,0,wg}
  assign (resid 33 and name hn) (resid 32 and name hb2) 1.8 0 4.2 {vw,8.12x1.75,03/01/00,0,wg}
!Lys34 hn32 &hn36 (9.17&9.23 ppm)
 ! Sequential NOE's
  assign (resid 34 and name hn) (resid 33 and name ha) 1.8 0 1.0 {s,>10,9.23x4.94,11/18,0,wg}
  assign (resid 34 and name hn) (resid 33 and name hb1) 1.8 0 3.2 {w,9.23x2.53,02/18/00,0,wg}
  assign (resid 34 and name hn) (resid 33 and name hb2) 1.8 0 3.2 {w,9.23x2.62,02/18/00,0,wg}
!Cys35 hn45 &hn46 (8.52&8.45 ppm)
 ! Sequential NOE's
  assign (resid 35 and name hn) (resid 34 and name ha) 1.8 0 1.0 {s,>108.52x4.42,11/18,0,wg}
  assign (resid 35 and name hn) (resid 34 and name hb1) 1.8 0 3.2 {w,8.52,1.27,03/08/00,0,wg}
  assign (resid 35 and name hn) (resid 34 and name hb2) 1.8 0 3.2 {w,8.52x1.57,03/08/00,0,wg}
  assign (resid 35 and name hn) (resid 34 and name hn) 1.8 0 4.2 {vw,3,8.52x9.23,04/20,0,wg}
  assign (resid 35 and name hn) (resid 34 and name hg*) 1.8 0 4.2 {w,8.52x0.82,05/19,1,wg}
  assign (resid 35 and name hn) (resid 34 and name hd*) 1.8 0 5.2 {vw,2,8.52x,07/23,1,wg}
!Tyr36 hn6 (7.83 ppm)
 ! Sequential NOE's
  assign (resid 36 and name hn) (resid 35 and name ha) 1.8 0 1.0 {s,9,7.83x5.37,11/18,0,wg}
  assign (resid 36 and name hn) (resid 35 and name hb1) 1.8 0 1.5 {m,7.83x3.17,02/14/00,0,wg}
  assign (resid 36 and name hn) (resid 35 and name hb2) 1.8 0 3.2 {w,7.83x2.30,02/14/00,0,wg}
  assign (resid 36 and name hn) (resid 35 and name hn) 1.8 0 4.2 {vw,7.83x8.52,04/20,0,wg}
  assign (resid 36 and name hd*) (resid 35 and name ha) 1.8 0 5.5 {w,x5.37,05/12,2.3,wg}
!Pro37 
 ! Sequential NOE's
  assign (resid 37 and name hd*) (resid 36 and name ha) 1.8 0 2.0 {s,3.62,3.78x5.03,04/08,1,wg}
  assign (resid 37 and name hd*) (resid 36 and name hn) 1.8 0 5.2 {vw,3.62,3.78x7.83,05/13,1,wg}
  assign (resid 37 and name hd*) (resid 36 and name hd*) 1.8 0 7.5 {vw,3.62,3.78x,05/13,2.3+1,wg}
  assign (resid 37 and name hd*) (resid 36 and name hb*) 1.8 0 7.5 {vw,3.62,3.78x3.00,2.65,2.3+1,wg}
  assign (resid 37 and name hd*) (resid 36 and name hb1) 1.8 0 6.5 {vw,3.62,3.78x3.06,03/01/00,2.3,wg}
  assign (resid 37 and name hd*) (resid 36 and name hb2) 1.8 0 6.5 {vw,3.62,3.78x2.65,03/01/00,2.3,wg}
 

 !  Medium.tbl
!  This is table for Medium Range NOE's

!Val1 hn49 (7.60ppm)
 ! Medium Range NOE's
!Phe2 hn4& hn5 (9.03&9.06 ppm)
 ! Medium Range NOE's
!Ile3 hn22& hn16 (8.37&8.23 ppm)
 ! Medium Range NOE's
!Asn4 hn12 (8.67 ppm)
 ! Medium Range NOE's
!Ala5 hn29& hn31 (7.70&7.78 ppm)
 !Medium Range NOE's
  assign (resid 5 and name hn) (resid 3 and name hb) 1.8 0 3.2 {w,7.70x1.93,07/23,0,wg}
  assign (resid 5 and name hn) (resid 3 and name hg1*) 1.8 0 4.2 {w,7.70x1.24&1.15,07/07/99,1,wg}
  assign (resid 5 and name hn) (resid 3 and name hg2*) 1.8 0 5.2 {vw,7.70x0.82,07/02/99,1,wg}
  assign (resid 5 and name hn) (resid 3 and name hd*) 1.8 0 5.2 {w,7.70x0.69,07/02/99,2,wg}
  assign (resid 5 and name hb*) (resid 3 and name hb) 1.8 0 6.2 {vw,1.19x1.93,03/13/00,2.wg}
  assign (resid 5 and name hb*) (resid 3 and name hd*) 1.8 0 7.2 {w,1.19x0.69,03/06/00,4,wg}
!Lys6 hn9 &hn10 (8.25&8.20 ppm)
 ! Medium Range NOE's
!Cys7 hn11 (7.93 ppm)
 ! Medium Range NOE's
!Arg8 hn28 (9.06 ppm)
 ! Medium Range NOE's
  assign (resid 8 and name hn) (resid 12 and name hg*) 1.8 0 5.2 {vw,9.06x,12/14/98,1,wg}
  assign (resid 8 and name hn) (resid 12 and name hb*) 1.8 0 5.2 {vw,9.06x,12/14/98,1,wg}
!Gly9 hn30 (7.96 ppm)
 ! Medium Range NOE's
  assign (resid 9 and name hn) (resid 7 and name ha) 1.8 0 4.2 {vw,7.96x7.93,07/21,0,wg}
  assign (resid 9 and name hn) (resid 7 and name hb1) 1.8 0 3.2 {w,7.96x2.87,02/28,0,wg}
  assign (resid 9 and name hn) (resid 7 and name hb2) 1.8 0 1.5 {m,7.96x3.19,02/28,0,wg}
  assign (resid 9 and name hn) (resid 12 and name hb*) 1.8 0 5.2 {vw,3&3,7.96x,01/20/99,1,wg}
  assign (resid 9 and name hn) (resid 12 and name hg*) 1.8 0 5.2 {vw,3&4,7.96x,01/07/99,1,wg}
!Ser10 hn 37 (9.08 ppm)
 ! Medium Range NOE's 
  assign (resid 13 and name hb1) (resid 10 and name ha) 1.8 0 3.2 {w,4.30x2.86,02/18/00,0,wg} 
  assign (resid 13 and name hb2) (resid 10 and name ha) 1.8 0 3.2 {w,4.30x2.72,02/18/00,0,wg}
!Pro11
 ! Medium Range NOE's
  assign (resid 11 and name hd*) (resid 9 and name ha*) 1.8 0 6.2 {vw,3.74,3.78x4.44x4.04,06/29,2,wg}
  assign (resid 11 and name hd*) (resid 9 and name hn) 1.8 0 5.2 {vw,2,3.74,3.78x7.96,07/23,1,wg}
  assign (resid 11 and name hb*) (resid 14 and name hd*) 1.8 0 8.2 {vw,2.17,2.38x0.97,01/26/00,2.3+1,wg}
  assign (resid 11 and name ha) (resid 14 and name hb*) 1.8 0 4.2 {w,4.20x1.71&2.07,02/11/00,1,wg}
!Glu12 hn38 (7.89 ppm)
 ! Medium Range NOE's
  assign (resid 12 and name hn) (resid 10 and name hn) 1.8 0 4.2 {w,7.89x9.08,06/18/99,0,wg}
  assign (resid 12 and name hn) (resid 7 and name hb2) 1.8 0 4.2 {vw,7.89x3.19,05/11/00,0,wg}
!Cys13 hn17 (8.23 ppm)
 ! Medium Range NOE's
  assign (resid 13 and name hn) (resid 10 and name ha) 1.8 0 3.2 {w,8.23x4.30,06/21/99,0,wg}
  assign (resid 13 and name hn) (resid 11 and name hd*) 1.8 0 5.2 {vw,8.23x3.74,3.78,06/21/99,1,wg}
  assign (resid 13 and name hn) (resid 11 and name hg*) 1.8 0 5.2 {vw,8.23x,01/11/99,1,wg}
  assign (resid 13 and name ha) (resid 16 and name hb*) 1.8 0 4.2 {w,4.64x1.74&1.85,1,wg}
!Lys14 hn (7.60 ppm)
 ! Medium Range NOE's
  assing (resid 14 and name ha) (resid 17 and name hb*) 1.8 0 4.2 {w,7.60x2.90&3.19,06/18/99,1,wg}
  assign (resid 14 and name hn) (resid 12 and name hn) 1.8 0 3.2 {w,7.60x7.89,06/18/99,0,wg}
  assign (resid 14 and name hn) (resid 11 and name ha) 1.8 0 3.2 {w,7.60x,06/21/99,0.wg}
  assign (resid 14 and name hn) (resid 10 and name ha) 1.8 0 4.2 {vw,7.60x4.30,02/23/00,0,wg}
!Pro15 
 ! Medium Range NOE's
  assign (resid 15 and name hd*) (resid 12 and name ha) 1.8 0 4.2 {w,3.93,3.66x4.20,06/21/99,1,wg}
  assign (resid 15 and name hd*) (resid 11 and name ha) 1.8 0 5.2 {w,3.93,3.66x4.20,02/25/00,1,wg}
!Lys16 hn44 &hn43 (6.46&6.41 ppm)
 ! Medium Range NOE's
  assign (resid 16 and name hn) (resid 13 and name ha) 1.8 0 3.2 {w,6.46x,01/13/99,0,wg}
  assign (resid 16 and name hn) (resid 14 and name hn) 1.8 0 4.2 {vw,6.46x7.60,06/21/99,0,wg}
  assign (resid 16 and name ha) (resid 19 and name hb*) 1.8 0 2.5 {m,4.13x2.14,07/24,1,wg}
  
!Cys17 hn19 &hn27 (8.74&8.62 ppm)
 ! Medium Range NOE's
  assign (resid 17 and name hn) (resid 20 and name hb*) 1.8 0 4.2 {w,8.74x1.57,06/18/99,1,wg}
  assign (resid 17 and name hn) (resid 15 and name hd*) 1.8 0 5.2 {vw,8.7x3.93,3.66,06/29,1,wg}
  assign (resid 17 and name hn) (resid 14 and name ha) 1.8 0 4.2 {w,8.7x,06/18/99,0,wg}
  assign (resid 17 and name hn) (resid 13 and name ha) 1.8 0 4.2 {vw,8.74x4.64,02/23/00,0,wg}
!Lys18 hn21 &hn21' (8.19&8.16 ppm)
 ! Medium Range NOE's
  assign (resid 18 and name hn) (resid 14 and name ha) 1.8 0 4.2 {vw,8.19x,06/21/99,0,wg}
  assign (resid 18 and name hn) (resid 15 and name ha) 1.8 0 3.2 {w,8.19x,01/14/99,0,wg}
  assign (resid 18 and name hn) (resid 16 and name hn) 1.8 0 3.2 {w,8.19x6.46,04/20,0,wg}
!Glu19 hn42 &hn41 (7.58&7.72 ppm)
 ! Medium Range NOE's
  assign (resid 19 and name hn) (resid 17 and name hn) 1.8 0 4.2 {vw,7.58x8.74,04/20,0,wg}
  assign (resid 19 and name hn) (resid 16 and name ha) 1.8 0 3.2 {w,7.58x4.13,05/19,0,wg}
  assign (resid 19 and name hn) (resid 15 and name ha) 1.8 0 4.2 {vw,7.58x4.33,07/23,1,wg}
!Ala20 hn33 &hn34 (7.90&7.85 ppm)
 ! Medium Range NOE's
  assign (resid 20 and name hn) (resid 18 and name hn) 1.8 0 3.2 {w,7.85x8.19,06/19/99,0,wg}
  assign (resid 20 and name hn) (resid 18 and name ha) 1.8 0 5.2 {vw,4.53x,07/23,0,wg}
  assign (resid 20 and name hn) (resid 17 and name ha) 1.8 0 3.2 {w,4.53x7.85,12/03,0,wg}
  assign (resid 20 and name hn) (resid 16 and name ha)  1.8 0 4.2 {vw,4.13x7.85,12/03,0,wg}
!Ile21 hn13 (8.59 ppm)
 ! Medium Range NOE's
  assign (resid 21 and name hn) (resid 19 and name hn) 1.8 0 3.2 {w,8.59x7.58,06/18/99,1,wg}
  assign (resid 21 and name hn) (resid 18 and name ha) 1.8 0 4.2 {vw,8.59x3.53,03/10,0,wg}
  assign (resid 21 and name hn) (resid 17 and name ha) 1.8 0 3.2 {w,8.59x4.52,0616/99,o,wg}
!Gly22 hn35 (7.61 ppm)
 ! Medium Range NOE's
  assign (resid 22 and name hn) (resid 20 and name hn) 1.8 0 4.2 {vw,7.61x7.85,06/18/99,0,wg}
  assign (resid 22 and name hn) (resid 20 and name hb*) 1.8 0 4.2 {w,4.05x1.57,07/24,1,wg}
  assign (resid 22 and name hn) (resid 19 and name ha) 1.8 0 4.2 {vw,4.05x7.61,12/03,0,wg}
  assign (resid 22 and name hn) (resid 18 and name ha) 1.8 0 1.5 {m,7.61x3.53,02/28,0,wg}
!Lys23 hn24 &hn25 (7.03&6.96 ppm)
 ! Medium Range NOE's
  assign (resid 23 and name hn) (resid 18 and name ha) 1.8 0 1.0 {s,3,53x7.03,01/23,0,wg}
  assign (resid 23 and name hn) (resid 18 and name hn) 1.8 0 4.2 {vw,7.03x8.19,02/14/00,0,wg}
  assign (resid 23 and name hn) (resid 21 and name hn) 1.8 0 3.2 {w,7.03x8.59,07/21,0,wg}
  assign (resid 23 and name hn) (resid 21 and name hd*) 1.8 0 4.2 {w,7.03x,07/23,1,wg}
  assign (resid 23 and name hn) (resid 21 and name hg1*) 1.8 0 4.2 {w,7.03x,07/23,1,wg}
  assign (resid 23 and name hn) (resid 21 and name hg2*) 1.8 0 5.2 {vw,7.03x,07/23,1,wg}
  assign (resid 23 and name hn) (resid 21 and name hb) 1.8 0 4.2 {vw,7.03x2.30,05/19,0,wg}
!Ala24 hn (8.6 ppm)
 ! Medium Range NOE's
  assign (resid 22 and name hn) (resid 24 and name hn) 1.8 0 4.2 {vw,8.6x7.61,12/03/99,0,wg}
!Ala25 hn23 & hn26(7.55 & 7.61 ppm)
 ! Medium Range NOE's
!Gly26 hn39 (7.69 ppm)
 ! Medium Range NOE's
!Lys27 hn18 &hn20 (8.74&8.82 ppm)
 ! Medium Range NOE's
  assign (resid 27 and name hn) (resid 33 and name ha) 1.8 0 4.2 {vw,8.82x4.94,05/19,0,wg}
!Cys28 hn14 (8.53 ppm)
 ! Medium Range NOE's
  assign (resid 28 and name hn) (resid 33 and name ha) 1.8 0 4.2 {vw,8.53x4.94,05/19,0,wg}
!Met29 hn3 &hn2 (9.20&9.25 ppm)
 ! Medium Range NOE's
  assign (resid 29 and name hn) (resid 31 and name hn) 1.8 0 4.2 {vw,9.20x7.98,08/02/99,0,wg}
!Asn30 hn1 (9.31 ppm)
 ! Medium Range NOE's
!Gly31 hn40 (7.98 ppm)
 ! Medium Range NOE's
  assign (resid 31 and name hn) (resid 28 and name ha) 1.8 0 4.2 {vw,7.98x4.83,05/19,0,wg}
  assign (resid 31 and name hn) (resid 29 and name hn) 1.8 0 4.2 {vw,7.98x9.20,05/22,0,wg}
!Lys32 hn47 &hn48 (7.72&7.68 ppm)
 ! Medium Range NOE's
  assign (resid 32 and name hn) (resid 33 and name ha) 1.8 0 4.2 {vw,7.96x4.94,07/21,0,wg}
  assign (resid 32 and name hn) (resid 30 and name hn) 1.8 0 4.2 {vw,7.96x9.31,01/11/99,0,wg}
  assign (resid 32 and name hn) (resid 30 and name hb*) 1.8 0 5.2 {vw,7.69x3.06,2.78,05/21,1,wg}
  assign (resid 32 and name hn) (resid 29 and name ha) 1.8 0 5.2 {vw,7.69x4.83,07/22,0,wg}
  assign (resid 29 and name hn) (resid 32 and name hn) 1.8 0 1.0 {s,9.20x7.72,04/08,0,wg}
!Cys33 hn7 &hn8 (8.20&8.12 ppm)
 ! Medium Range NOE's
!Lys34 hn32 &hn36 (9.17&9.23 ppm)
 ! Medium Range NOE's
!Cys35 hn45 &hn46 (8.52&8.45 ppm)
 ! Medium Range NOE's
!Tyr36 hn6 (7.83 ppm)
 ! Medium Range NOE's
!Pro37 
 ! Medium Range NOE's


!  TSKA_long.tbl
!  This table is for long range NOE's

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!   Long Range NOE's, by spin system
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Val1 hn49 (7.60 ppm)
 assign (resid 1 and name hg*) (resid 37 and name hd*) 1.8 0 7.2 {vw,0.97&0.92x3.62&3.78,02/14/00,3,wg}
 assign (resid 1 and name hg*) (resid 35 and name hb1) 1.8 0 6.2 {vw,0.97&0.92x3.17,02/17/00,2,wg}
 assign (resid 1 and name hg*) (resid 35 and name hb2) 1.8 0 3.5 {m,0.97&0.92x2.30,02/17/00,2,wg}
!Phe2 hn4&hn5 (9.03&9.07 ppm)
 assign (resid 2 and name ha) (resid 34 and name ha) 1.8 0 1.5 {m,,01/11/99,0,prst}
 assign (resid 2 and name ha) (resid 34 and name hg*) 1.8 0 5.2 {vw,3,x,12/09/98,1,wg}
 assign (resid 2 and name hd*) (resid 34 and name ha) 1.8 0 5.5 {w,4,x4.42,05/21,2.3,wg}
 assign (resid 2 and name he*) (resid 34 and name ha) 1.8 0 6.5 {vw,2,x4.42,07/22,2.3,wg}
 assign (resid 2 and name hd*) (resid 34 and name hb1) 1.8 0 5.5 {w,x1.27,03/08/00,2.3,wg}
 assign (resid 2 and name hd*) (resid 34 and name hb2) 1.8 0 5.5 {w,x1.57,03/08/00,2.3,wg}
 assign (resid 2 and name he*) (resid 34 and name hb1) 1.8 0 5.5 {w,x1.27,03/08/00,2.3,wg}
 assign (resid 2 and name he*) (resid 34 and name hb2) 1.8 0 6.5 {vw,x1.57,03/08/00,2.3,wg}
 assign (resid 2 and name hd*) (resid 34 and name hg*) 1.8 0 7.5 {vw,2,x,07/22,2.3+1,wg}
 assign (resid 2 and name he*) (resid 34 and name hg*) 1.8 0 7.5 {vw,2,x,07/22,2.3+1,wg}
 assign (resid 2 and name hd*) (resid 34 and name hd*) 1.8 0 6.5 {w,4,x07/22,2.3+1,wg}
 assign (resid 2 and name he*) (resid 34 and name hd*) 1.8 0 6.5 {w,4,x07/22,2.3+1,wg}
 assign (resid 2 and name hd*) (resid 34 and name he*) 1.8 0 7.5 {vw,2,07/22,2.3+1,wg}
 assign (resid 2 and name he*) (resid 34 and name he*) 1.8 0 7.5 {vw,3,07/22,2.3+1,wg}
!Ile3 hn22&hn16 (7.60 ppm)
 assign (resid 3 and name hn) (resid 34 and name ha) 1.8 0 3.2 {w,5,x4.42,04/08,0,wg}
!Asn4 hn12 (8.67 ppm)
!Ala5 hn29&hn31 (7.70&7.78 ppm)
 assign (resid 5 and name hn) (resid 33 and name hb1) 1.8 0 4.2 {vw,7.70x2.53,02/18/00,0,wg}
 assign (resid 5 and name hn) (resid 33 and name hb2) 1.8 0 4.2 {vw,7.70x2.62,02/18/00,0,wg}
 assign (resid 5 and name hb*) (resid 33 and name hb1) 1.8 0 3.5 {m,x2.53,03/02/00,2,wg}
 assign (resid 5 and name hb*) (resid 33 and name hb2) 1.8 0 5.2 {w,x2.61,03/02/00,2,wg}
 assign (resid 5 and name hn) (resid 32 and name ha) 1.8 0 4.2 {vw,7.70x5.27,07/23,0,wg}
!Lys6 hn9&hn10 (8.25&8.20 ppm)
 assign (resid 6 and name ha) (resid 32 and name ha) 1.8 0 2.4 {w/m,x5.27,12/10/98,0,wg}
!Cys7 hn11 (7.93 ppm)
 assign (resid 7 and name hn) (resid 31 and name ha*)  1.8 0 4.2 {w,4.05&4.15,01/23,1,wg}
 assign (resid 7 and name hn) (resid 32 and name ha) 1.8 0 1.5 {m,4.05,4.15x5.27,07/07,0,wg}
!Gly9 hn30 (7.96 ppm)
 assign (resid 9 and name hn) (resid 28 and name hb*) 1.8 0 5.2 {vw,7.69x,07/22,1,wg}
 assign (resid 9 and name ha*) (resid 28 and name hb*) 1.8 0 5.2 {w,x,07/20/99,2,wg}
!Ser10 hn37 (9.08 ppm)
 assign (resid 10 and name hn) (resid 28 and name hn) 1.8 0 4.2 {vw,9.08x8.67,05/19,0,wg}
 assign (resid 10 and name hn) (resid 28 and name hb1) 1.8 0 2.4 {mw,9.08x2.79,02/16/00,0,wg}
 assign (resid 10 and name hn) (resid 28 and name hb2) 1.8 0 3.2 {w,9.08x2.64,02/16/00,0,wg}
 assign (resid 10 and name ha) (resid 28 and name hb1) 1.8 0 1.5 {m,4.30x2.64,02/16/00,0,wg}
 assign (resid 10 and name ha) (resid 28 and name hb2) 1.8 0 3.2 {w,4.30x2.79,02/16/00,0,wg}
!Glu12 hn38 (7.89 ppm)
!Cys13 hn17 (8.23 ppm)
 assign (resid 13 and name hb1) (resid 33 and name ha) 1.8 0 4.2 {w,2.86x4.94,03/07/00,0,wg}
 assign (resid 13 and name hb2) (resid 33 and name ha) 1.8 0 5.2 {vw,2.72x4.94,03/07/00,0,wg}
 !assign (resid 13 and name hb*) (resid 33 and name hb*) 1.8 0 6.2 {vw,,07/15/99,2,wg}
!Lys14 hn15 (8.37 ppm)
!Pro15
!Lys16 hn44&hn43 (6.46&6.41 ppm)
 assign (resid 16 and name hn) (resid 3 and name hd*) 1.8 0 6.2 {vw,6.41x0.69,07/02/99,2,wg}
 assign (resid 16 and name ha) (resid 3 and name hd*) 1.8 0 6.2 {vw,4.13x0.69,07/13/99,2,wg}
 !assign (resid 16 and name hb*) (resid 3 and name hd*) 1.8 0 4.5 {m,1.74&1.85x0.69,07/13/99,3,wg}
 assign (resid 16 and name hb1) (resid 3 and name hd*) 1.8 0 3.5 {m,1.74x0.69,03/08/00,2,wg}
 assign (resid 16 and name hb2) (resid 3 and name hd*) 1.8 0 5.2 {w,1.85x0.69,03/08/00,2,wg}
 assign (resid 16 and name hg*) (resid 3 and name hd*) 1.8 0 6.2 {vw,1.52x0.69,07/13/99,3,wg}
 assign (resid 16 and name hd*) (resid 3 and name hd*) 1.8 0 6.2 {vw,1.63x0.69,07/13/99,3,wg}
 assign (resid 16 and name hb1) (resid 5 and name hb*) 1.8 0 5.2 {w,1.74x1.20,03/12/00,2,wg}
 assign (resid 16 and name hb2) (resid 5 and name hb*) 1.8 0 5.2 {w,1.85x1.20,03/12/00,2,wg}
 assign (resid 16 and name hg*) (resid 5 and name hb*) 1.8 0 6.2 {w,1.52x1.20,03/12/00,3,wg}
 assign (resid 16 and name hd*) (resid 5 and name hb*) 1.8 0 6.2 {w,1.63x1.20,03/12/00,3,wg}
!Cys17 hn 19 &hn 27 (8.74&8.62 ppm)
 assign (resid 17 and name hn) (resid 3 and name hd*) 1.8 0 5.2 {w,8.74x0.69,07/02/99,2,wg}
!Glu19 hn42&hn41 (7.58&7.72 ppm)
!Ala20 hn33 &hn34 (7.90&7.85 ppm)
 assign (resid 20 and name hn) (resid 3 and name hd*) 1.8 0 6.2 {vw,7.85x0.69,07/02/99,2,wg}
 assign (resid 20 and name hb*) (resid 3 and name hd*) 1.8 0 8.2 {vw,1.57x0.69,07/14/99,4,wg}
!Ile21 hn13 (8.59 ppm)
!Lys23 hn24&hn25 (7.03&6.96 ppm)
 assign (resid 23 and name hn) (resid 17 and name hb*) 1.8 0 5.2 {vw,7.03x2.94&3.19,08/02/99,1,wg}
!Ala24 hn26 (8.61 ppm)
 assign (resid 24 and name hn) (resid 18 and name ha) 1.8 0 4.2 {vw,8.60x,06/16/99,0,wg}
 assign (resid 24 and name hb*) (resid 18 and name ha) 1.8 0 3.5 {m,1.x,07/15/99,2,wg}
 assign (resid 24 and name hb*) (resid 17 and name hb*) 1.8 0 5.2 {w,1.19x2.94&3.19,03/10/00,2,wg}
 assign (resid 24 and name hb*) (resid 14 and name hg) 1.8 0 3.5 {m,1.19x1.44,03/13/00,2,wg}
 assign (resid 24 and name hb*) (resid 14 and name hb1) 1.8 0 4.4 {mw,1.19x1.71,03/13/00,2,wg}
 assign (resid 24 and name hb*) (resid 14 and name hb2) 1.8 0 5.2 {w,1.19x2.04,03/13/00,2,wg}
!Ala25 hn23 (7.55 ppm)
 assign (resid 25 and name hn) (resid 21 and name hd*) 1.8 0 4.2 {w,7.55x0.77,01/12/99,1,wg}
 assign (resid 25 and name hn) (resid 17 and name hb*) 1.8 0 3.4 {w,7.55x2.94,3.19,03/07/00,1,wg}
 assign (resid 25 and name ha) (resid 14 and name hd*) 1.8 0 7.2 {vw,4.57x0.97&0.77,07/13/99,3,wg}
 assign (resid 25 and name hb*) (resid 36 and name hb*) 1.8 0 6.2 {w,1.36x2.65&3.06,02/08/00,3,wg}
 assign (resid 25 and name hn) (resid 36 and name hn) 1.8 0 4.2 {vw,7.55x7.83,03/12/00/0/wg}
!Gly26 hn39 (7.69 ppm)
 assign (resid 26 and name hn) (resid 14 and name hd*) 1.8 0 5.4 {m,7.69x0.97&0.77,06/30/99,3,wg}
 assign (resid 26 and name ha*) (resid 35 and name ha) 1.8 0 2.0 {s,4.51x5.37,12/03,1,wg}
 assign (resid 26 and name ha*) (resid 35 and name hb1) 1.8 0 5.2 {vw,4.30&4.13x3.20,0,wg}
!Lys27 hn18&hn20 (8.74&8.82 ppm)
 assign (resid 27 and name hn) (resid 13 and name hb1) 1.8 0 4.2 {vw,5.37x2.86,02/18/00,0,wg}
 assign (resid 27 and name hn) (resid 13 and name hb2) 1.8 0 4.2 {vw,5.37x2.72,02/18/00,0,wg}
 assign (resid 27 and name hn) (resid 35 and name ha)  1.8 0 3.2 {w,5.37x8.82,12/03,0,wg}
 assign (resid 27 and name hn) (resid 34 and name hb*) 1.8 0 4.2 {w,5.37x0.64&0.82,07/21,1,wg}
 assign (resid 27 and name hn) (resid 34 and name hn) 1.8 0 1.0 {s,8.74x9.17,06/24/99,0,wg}
 assign (resid 27 and name hn) (resid 33 and name ha) 1.8 0 4.2 {vw,5.37x,07/23,0,wg}
 assign (resid 27 and name hz*) (resid 34 and name hb1) 1.8 0 5.2 {vw,6.95x1.27,03/08/00,1,wg}
 assign (resid 27 and name hz*) (resid 34 and name hb2) 1.8 0 4.2 {w,6.95x1.57,03/08/00,1,wg}
 assign (resid 27 and name hz*) (resid 34 and name hg*) 1.8 0 6.2 {vw,6.95x0.64&0.82,02/07/00,2,wg}
 assign (resid 27 and name hz*) (resid 34 and name hd*) 1.8 0 6.2 {vw,6.95x1.47,02/07/00,2,wg}
 assign (resid 27 and name hz*) (resid 34 and name he*) 1.8 0 5.2 {vw,6.95x2.70,02/07/00,2,wg}
!Cys28 (ppm)
 assign (resid 28 and name hn) (resid 11 and name hd*) 1.8 0 5.2 {vw,07/23,1,wg}
 assign (resid 10 and name hb*) (resid 28 and name hn) 1.8 0 2.5 {m,4.20,4.04x8.67,05/19,1,wg}
 assign (resid 10 and name ha) (resid 28 and name hn) 1.8 0 1.0 {s,4.30x8.67,05/19,0,wg}
 assign (resid 9 and name ha*) (resid 28 and name hn) 1.8 0 5.2 {vw,8.67x4.44,4.04,05/19,1,wg}
!Met29 hn2&hn3 (9.20&9.25 ppm)
!Asn30 hn1 (9.31 ppm)
!Gly31 hn40 (7.98 ppm)
!Lys32 hn47&hn48 (7.72&7.68 ppm)
 assign (resid 32 and name hn) (resid 28 and name ha) 1.8 0 3.2 {w,7.72x8.67,07/21,0,wg}
 assign (resid 32 and name hn) (resid 6 and name ha) 1.8 0 3.2 {w,7.72x8.67,02/15/00,0,wg}
 assign (resid 32 and name hb1) (resid 2 and name hd*) 1.8 0 5.5 {w,1.97x,03/10/00,2.3,wg}
 assign (resid 32 and name hb2) (resid 2 and name hd*) 1.8 0 5.5 {w,1.75x,03/10/00,2.3,wg}
!Cys33 hn7&hn8 (8.20&8.12 ppm)
 assign (resid 33 and name ha) (resid 28 and name ha) 1.8 0 1.5 {m,4.94x8.67,01/23,0,prst}
 assign (resid 33 and name hn) (resid 4 and name ha) 1.8 0 4.2 {vw,8.20x4.71,03/01/00,0,wg}
 assign (resid 33 and name hb1) (resid 3 and name hg1*) 1.8 0 4.2 {w,2.53x1.15&1.24,02/18/00,1,wg}
 assign (resid 33 and name hb2) (resid 3 and name hg1*) 1.8 0 4.2 {w,2.62x1.15&1.24,02/18/00,1,wg}
 assign (resid 33 and name hb1) (resid 3 and name hd*) 1.8 0 3.5 {m,2.53x0.69,02/18/00,2,wg}
 assign (resid 33 and name hb2) (resid 3 and name hd*) 1.8 0 5.2 {w,2.62x0.69,02/18/00,2,wg}
 assign (resid 33 and name hb1) (resid 2 and name hd*) 1.8 0 5.5 {w,2.53x,02/18/00,2.3,wg}
 assign (resid 33 and name hb2) (resid 2 and name hd*) 1.8 0 6.5 {vw,2.63x,02/18/00,2.3,wg}
 assign (resid 33 and name hb1) (resid 2 and name he*) 1.8 0 7.5 {vw,2.53x,02/18/00,2.3,wg}
 assign (resid 33 and name hb2) (resid 2 and name he*) 1.8 0 7.5 {vw,2.63x,02/18/00,2.3,wg}
 assign (resid 33 and name hn) (resid 6 and name ha) 1.8 0 4.2 {vw,8.20x,06/24/99,0,wg}
!Lys34 hn32&hn36 (9.17&9.23 ppm)
 assign (resid 34 and name hn) (resid 13 and name hb1) 1.8 0 4.2 {vw,9.17x2.86,02/18/00,0,wg}
 assign (resid 34 and name hn) (resid 13 and name hb2) 1.8 0 4.2 {vw,9.17x2.72,02/18/00,0,wg}
 assign (resid 34 and name hn) (resid 28 and name ha) 1.8 0 1.5 {m,9.17x8.67,05/12,0,wg}
 assign (resid 34 and name hn) (resid 26 and name ha*) 1.8 0 5.2 {vw,9.17x4.30&4.13,07/22,1,wg}
 assign (resid 34 and name hz*) (resid 27 and name hb*) 1.8 0 6.2 {vw,6.59x1.70&1.77,02/08/00,2,wg}
 assign (resid 34 and name hz*) (resid 27 and name hb1) 1.8 0 5.2 {vw,6.59x1.70,03/08/00,1,wg}
 assign (resid 34 and name hz*) (resid 27 and name hb2) 1.8 0 4.2 {w,6.59x1.77,03/08/00,1,wg}
 assign (resid 34 and name hz*) (resid 27 and name hg*) 1.8 0 6.2 {vw,6.59x0.77,02/08/00,2,wg}
 assign (resid 34 and name hz*) (resid 27 and name hd*) 1.8 0 6.2 {vw,6.59x1.33,02/08/00,2,wg}
!Cys35 hn45 &hn46 (8.52&8.45 ppm)
 assign (resid 35 and name hn) (resid 1 and name hg*) 1.8 0 7.2 {vw,8.52x0.97&0.92,02/14/00,3,wg}
 assign (resid 35 and name hn) (resid 2 and name ha) 1.8 0 3.2 {w,8.52x5.09,01/23,0,wg}
 assign (resid 35 and name hn) (resid 2 and name hb2) 1.8 0 4.2 {vw,8.52x2.97,02/18/00,0,wg}
 assign (resid 35 and name hn) (resid 2 and name hb1) 1.8 0 4.2 {vw,8.52x3.09,02/18/00,0,wg}
 assign (resid 35 and name hb1) (resid 21 and name hd*) 1.8 0 2.5 {m,3.17x0.77,02/17/00,1,wg}
 assign (resid 35 and name hb2) (resid 21 and name hd*) 1.8 0 2.5 {m,2.30x0.77,02/17/00,1,wg}
 assign (resid 35 and name hb1) (resid 21 and name hg1*) 1.8 0 4.2 {w,3.17x0.77,02/17/00,1,wg}
 assign (resid 35 and name hb2) (resid 21 and name hg1*) 1.8 0 4.2 {w,2.30x0.77,02/17/00,1,wg}
 assign (resid 35 and name hb1) (resid 21 and name hg2*) 1.8 0 5.2 {w,3.17x0.77,02/17/00,2,wg}
 assign (resid 35 and name hb2) (resid 21 and name hg2*) 1.8 0 3.5 {m,2.30x0.77,02/17/00,2,wg}
!Tyr36 hn6 (7.83 ppm)
 assign (resid 36 and name hn) (resid 26 and name ha*)  1.8 0 2.5 {m,4.51x7.83,12/03,1,wg}
 assign (resid 36 and name hn) (resid 25 and name hb*) 1.8 0 3.5 {m,4.51x1.36,04/08,2,wg}
 assign (resid 36 and name ha) (resid 25 and name hb*) 1.8 0 5.2 {vw,5.03x1.36,06/29,1,wg}
 assign (resid 36 and name hb1) (resid 25 and name hb*) 1.8 0 5.2 {w,3.06x1.36,03/06/00,2,wg}
 assign (resid 36 and name hb2) (resid 25 and name hb*) 1.8 0 3.5 {m,2.54x1.36,03/06/00,2,wg}
 assign (resid 36 and name hn) (resid 21 and name hd*) 1.8 0 5.2 {vw,7.83x0.77,01/11/99,1,wg}
!Pro37
 assign (resid 37 and name ha) (resid 21 and name hd*) 1.8 0 3.5 {m,4.17x0.77,07/23,2,wg}
 assign (resid 37 and name ha) (resid 21 and name hg2*) 1.8 0 5.2 {w,4.17x0.85,07/14/99,2,wg}
 assign (resid 37 and name hb*) (resid 21 and name hd*) 1.8 0 6.2 {w,1.96&2.18x0.77,01/27/00,3,wg}
 assign (resid 37 and name hb*) (resid 21 and name hg1*) 1.8 0 6.2 {vw,1.96&2.18x1.21&1.32,01/27/00,2,wg}
 assign (resid 37 and name hb*) (resid 21 and name hg2*) 1.8 0 7.2 {vw,1.96&2.18x0.85,01/27/00,3,wg}
 assign (resid 37 and name hd*) (resid 21 and name hd*) 1.8 0 7.2 {vw,,01/11/99,3,wg}


! hydrogen_tstx.tbl--hydrogen bonds for TsTx-Kalpha   
!  



!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bonds for alpha helix
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 assign (resid 17 and name o) (resid 21 and name hn) 1.5 0 0.8
 assign (resid 17 and name o) (resid 21 and name n) 2.4 0 0.9
 assign (resid 16 and name o) (resid 20 and name hn) 1.5 0 0.8
 assign (resid 16 and name o) (resid 20 and name n) 2.4 0 0.9
 assign (resid 15 and name o) (resid 19 and name hn) 1.5 0 0.8
 assign (resid 15 and name o) (resid 19 and name n) 2.4 0 0.9
 assign (resid 14 and name o) (resid 18 and name hn) 1.5 0 0.8
 assign (resid 14 and name o) (resid 18 and name n) 2.4 0 0.9
 assign (resid 13 and name o) (resid 17 and name hn) 1.5 0 0.8
 assign (resid 13 and name o) (resid 17 and name n) 2.4 0 0.9
 assign (resid 12 and name o) (resid 16 and name hn) 1.5 0 0.8
 assign (resid 12 and name o) (resid 16 and name n) 2.4 0 0.9


!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bonds for beta sheet
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 assign (resid 29 and name o) (resid 32 and name hn) 1.5 0 0.8
 assign (resid 29 and name o) (resid 32 and name n) 2.4 0 0.9

 assign (resid 32 and name o) (resid 29 and name hn) 1.5 0 0.8
 assign (resid 32 and name o) (resid 29 and name n) 2.4 0 0.9

 assign (resid 25 and name o) (resid 36 and name hn) 1.5 0 0.8
 assign (resid 25 and name o) (resid 36 and name n) 2.4 0 0.9
      
 assign (resid 34 and name o) (resid 27 and name hn) 1.5 0 0.8
 assign (resid 34 and name o) (resid 27 and name n) 2.4 0 0.9

 assign (resid 27 and name o) (resid 34 and name hn) 1.5 0 0.8
 assign (resid 27 and name o) (resid 34 and name n) 2.4 0 0.9
 
 assign (resid 33 and name o) (resid 3 and name hn) 1.5 0 0.8 
 assign (resid 33 and name o) (resid 3 and name n) 2.4 0 0.9

 assign (resid 3 and name o) (resid 33 and name hn) 1.5 0 0.8 
 assign (resid 3 and name o) (resid 33 and name n) 2.4 0 0.9

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1          HT1       VAL   1  -3.964   8.899   1.108
    2   2H    VAL   1          HT2       VAL   1  -3.713   7.219   1.168
    3   3H    VAL   1          HT3       VAL   1  -3.038   8.138  -0.092
    4    HA   VAL   1           HA       VAL   1  -1.587   9.283   1.473
    5    HB   VAL   1           HB       VAL   1  -3.347   9.102   3.268
    6   1HG1  VAL   1          HG11      VAL   1  -2.836   6.297   2.799
    7   2HG1  VAL   1          HG12      VAL   1  -4.103   7.041   3.774
    8   3HG1  VAL   1          HG13      VAL   1  -2.530   6.688   4.490
    9   1HG2  VAL   1          HG21      VAL   1  -1.771   9.377   4.923
   10   2HG2  VAL   1          HG22      VAL   1  -0.686   9.408   3.533
   11   3HG2  VAL   1          HG23      VAL   1  -0.884   7.923   4.464
   12    H    PHE   2           HN       PHE   2   0.370   8.119   2.512
   13    HA   PHE   2           HA       PHE   2   0.679   5.383   1.310
   14   1HB   PHE   2          HB2       PHE   2   2.781   7.543   1.664
   15   2HB   PHE   2          HB1       PHE   2   2.955   6.036   0.765
   16    HD1  PHE   2           HD1      PHE   2   2.455   5.970  -1.517
   17    HD2  PHE   2           HD2      PHE   2   0.875   9.146   0.898
   18    HE1  PHE   2           HE1      PHE   2   1.568   7.072  -3.554
   19    HE2  PHE   2           HE2      PHE   2  -0.013  10.251  -1.134
   20    HZ   PHE   2           HZ       PHE   2   0.334   9.217  -3.363
   21    H    ILE   3           HN       ILE   3   2.531   4.160   2.424
   22    HA   ILE   3           HA       ILE   3   2.674   4.853   5.338
   23    HB   ILE   3           HB       ILE   3   2.123   2.618   5.891
   24   1HG1  ILE   3          HG12      ILE   3   2.883   2.020   3.028
   25   2HG1  ILE   3          HG11      ILE   3   3.574   1.351   4.504
   26   1HG2  ILE   3          HG21      ILE   3   0.533   3.267   3.388
   27   2HG2  ILE   3          HG22      ILE   3   0.179   3.865   5.009
   28   3HG2  ILE   3          HG23      ILE   3   0.041   2.143   4.656
   29   1HD1  ILE   3          HD11      ILE   3   0.902   0.738   3.244
   30   2HD1  ILE   3          HD12      ILE   3   1.213   0.390   4.945
   31   3HD1  ILE   3          HD13      ILE   3   2.186  -0.383   3.695
   32    H    ASN   4           HN       ASN   4   4.694   4.436   6.303
   33    HA   ASN   4           HA       ASN   4   7.011   4.345   4.598
   34   1HB   ASN   4          HB2       ASN   4   8.192   4.460   6.683
   35   2HB   ASN   4          HB1       ASN   4   6.696   5.362   6.924
   36   1HD2  ASN   4          HD21      ASN   4   5.198   4.565   8.479
   37   2HD2  ASN   4          HD22      ASN   4   5.465   3.161   9.396
   38    H    ALA   5           HN       ALA   5   4.974   1.866   5.823
   39    HA   ALA   5           HA       ALA   5   6.575  -0.326   6.368
   40   1HB   ALA   5          HB1       ALA   5   4.023  -0.070   6.144
   41   2HB   ALA   5          HB2       ALA   5   4.704  -1.616   5.638
   42   3HB   ALA   5          HB3       ALA   5   4.252  -0.413   4.429
   43    H    LYS   6           HN       LYS   6   8.518  -0.631   5.267
   44    HA   LYS   6           HA       LYS   6   9.077  -0.080   2.559
   45   1HB   LYS   6          HB2       LYS   6  10.129  -2.035   4.600
   46   2HB   LYS   6          HB1       LYS   6  10.825  -1.962   2.981
   47   1HG   LYS   6          HG2       LYS   6  12.166  -0.405   4.042
   48   2HG   LYS   6          HG1       LYS   6  10.857   0.649   3.503
   49   1HD   LYS   6          HD2       LYS   6   9.876   0.736   5.634
   50   2HD   LYS   6          HD1       LYS   6  10.703  -0.724   6.177
   51   1HE   LYS   6          HE2       LYS   6  12.513   1.475   5.365
   52   2HE   LYS   6          HE1       LYS   6  11.542   1.799   6.815
   53   1HZ   LYS   6          HZ1       LYS   6  13.132  -0.664   6.322
   54   2HZ   LYS   6          HZ2       LYS   6  12.200  -0.344   7.705
   55   3HZ   LYS   6          HZ3       LYS   6  13.576   0.593   7.370
   56    H    CYS   7           HN       CYS   7   7.218  -0.798   1.301
   57    HA   CYS   7           HA       CYS   7   6.399  -3.593   1.284
   58   1HB   CYS   7          HB2       CYS   7   5.055  -2.804  -0.662
   59   2HB   CYS   7          HB1       CYS   7   4.904  -1.718   0.721
   60    H    ARG   8           HN       ARG   8   6.796  -5.102  -0.469
   61    HA   ARG   8           HA       ARG   8   9.166  -4.417  -2.177
   62   1HB   ARG   8          HB2       ARG   8   8.501  -6.938  -0.628
   63   2HB   ARG   8          HB1       ARG   8   9.839  -6.810  -1.771
   64   1HG   ARG   8          HG2       ARG   8   9.643  -4.716   0.344
   65   2HG   ARG   8          HG1       ARG   8  10.169  -6.325   0.843
   66   1HD   ARG   8          HD2       ARG   8  11.412  -4.782  -1.461
   67   2HD   ARG   8          HD1       ARG   8  12.088  -4.846   0.180
   68    HE   ARG   8           HE       ARG   8  11.919  -7.442  -0.202
   69   1HH1  ARG   8          HH11      ARG   8  11.406  -6.047  -3.124
   70   2HH1  ARG   8          HH12      ARG   8  12.828  -6.653  -3.905
   71   1HH2  ARG   8          HH21      ARG   8  14.274  -7.800  -0.970
   72   2HH2  ARG   8          HH22      ARG   8  14.451  -7.647  -2.686
   73    H    GLY   9           HN       GLY   9   5.942  -5.539  -2.075
   74   1HA   GLY   9          HA2       GLY   9   6.167  -6.368  -4.923
   75   2HA   GLY   9          HA1       GLY   9   5.369  -7.458  -3.792
   76    H    SER  10           HN       SER  10   4.577  -5.473  -6.137
   77    HA   SER  10           HA       SER  10   2.802  -3.505  -5.266
   78   1HB   SER  10          HB2       SER  10   2.658  -3.473  -7.518
   79   2HB   SER  10          HB1       SER  10   3.353  -5.088  -7.608
   80    HG   SER  10           HG       SER  10   0.884  -4.373  -8.128
   81    HA   PRO  11           HA       PRO  11  -0.680  -6.887  -4.988
   82   1HB   PRO  11          HB2       PRO  11   0.625  -9.388  -4.424
   83   2HB   PRO  11          HB1       PRO  11  -0.370  -8.969  -5.820
   84   1HG   PRO  11          HG2       PRO  11   2.453  -9.387  -5.767
   85   2HG   PRO  11          HG1       PRO  11   1.465  -8.884  -7.141
   86   1HD   PRO  11          HD2       PRO  11   3.333  -7.299  -5.590
   87   2HD   PRO  11          HD1       PRO  11   2.428  -6.819  -7.046
   88    H    GLU  12           HN       GLU  12   2.273  -6.858  -3.125
   89    HA   GLU  12           HA       GLU  12   1.126  -7.897  -0.655
   90   1HB   GLU  12          HB2       GLU  12   3.649  -7.211  -1.737
   91   2HB   GLU  12          HB1       GLU  12   3.427  -6.170  -0.330
   92   1HG   GLU  12          HG2       GLU  12   4.255  -8.010   0.766
   93   2HG   GLU  12          HG1       GLU  12   2.558  -8.489   0.724
   94    H    CYS  13           HN       CYS  13   1.501  -4.736  -2.162
   95    HA   CYS  13           HA       CYS  13   0.905  -3.126   0.152
   96   1HB   CYS  13          HB2       CYS  13   1.370  -2.866  -2.703
   97   2HB   CYS  13          HB1       CYS  13   0.061  -1.804  -2.188
   98    H    LEU  14           HN       LEU  14  -1.072  -5.006  -2.032
   99    HA   LEU  14           HA       LEU  14  -3.559  -3.619  -1.701
  100   1HB   LEU  14          HB2       LEU  14  -2.517  -6.057  -2.843
  101   2HB   LEU  14          HB1       LEU  14  -4.026  -6.397  -1.994
  102    HG   LEU  14           HG       LEU  14  -4.918  -4.272  -3.205
  103   1HD1  LEU  14          HD11      LEU  14  -3.152  -4.887  -5.464
  104   2HD1  LEU  14          HD12      LEU  14  -2.294  -4.183  -4.092
  105   3HD1  LEU  14          HD13      LEU  14  -3.649  -3.321  -4.821
  106   1HD2  LEU  14          HD21      LEU  14  -5.688  -6.561  -3.684
  107   2HD2  LEU  14          HD22      LEU  14  -4.293  -6.821  -4.731
  108   3HD2  LEU  14          HD23      LEU  14  -5.526  -5.643  -5.181
  109    HA   PRO  15           HA       PRO  15  -4.439  -6.794   1.876
  110   1HB   PRO  15          HB2       PRO  15  -1.874  -7.736   2.782
  111   2HB   PRO  15          HB1       PRO  15  -3.200  -8.687   2.105
  112   1HG   PRO  15          HG2       PRO  15  -0.686  -7.996   0.865
  113   2HG   PRO  15          HG1       PRO  15  -1.980  -9.015   0.226
  114   1HD   PRO  15          HD2       PRO  15  -1.244  -6.399  -0.663
  115   2HD   PRO  15          HD1       PRO  15  -2.637  -7.369  -1.200
  116    H    LYS  16           HN       LYS  16  -1.423  -4.952   1.713
  117    HA   LYS  16           HA       LYS  16  -1.351  -4.143   4.490
  118   1HB   LYS  16          HB2       LYS  16  -0.174  -3.011   1.931
  119   2HB   LYS  16          HB1       LYS  16   0.281  -2.476   3.549
  120   1HG   LYS  16          HG2       LYS  16   0.370  -5.405   2.940
  121   2HG   LYS  16          HG1       LYS  16   1.665  -4.374   2.327
  122   1HD   LYS  16          HD2       LYS  16   0.784  -4.301   5.217
  123   2HD   LYS  16          HD1       LYS  16   2.039  -5.402   4.645
  124   1HE   LYS  16          HE2       LYS  16   3.529  -3.707   4.873
  125   2HE   LYS  16          HE1       LYS  16   2.674  -2.847   3.577
  126   1HZ   LYS  16          HZ1       LYS  16   0.991  -2.276   5.392
  127   2HZ   LYS  16          HZ2       LYS  16   2.467  -1.434   5.401
  128   3HZ   LYS  16          HZ3       LYS  16   2.206  -2.710   6.493
  129    H    CYS  17           HN       CYS  17  -2.246  -2.308   1.523
  130    HA   CYS  17           HA       CYS  17  -3.189   0.041   2.735
  131   1HB   CYS  17          HB2       CYS  17  -4.161  -1.531   0.326
  132   2HB   CYS  17          HB1       CYS  17  -4.682   0.116   0.679
  133    H    LYS  18           HN       LYS  18  -4.985  -2.962   2.039
  134    HA   LYS  18           HA       LYS  18  -7.497  -2.190   3.138
  135   1HB   LYS  18          HB2       LYS  18  -7.251  -4.173   1.793
  136   2HB   LYS  18          HB1       LYS  18  -6.029  -4.830   2.881
  137   1HG   LYS  18          HG2       LYS  18  -8.447  -4.213   4.346
  138   2HG   LYS  18          HG1       LYS  18  -8.805  -5.285   2.992
  139   1HD   LYS  18          HD2       LYS  18  -7.063  -6.841   3.721
  140   2HD   LYS  18          HD1       LYS  18  -6.613  -5.752   5.035
  141   1HE   LYS  18          HE2       LYS  18  -8.348  -6.447   6.343
  142   2HE   LYS  18          HE1       LYS  18  -9.487  -6.435   4.981
  143   1HZ   LYS  18          HZ1       LYS  18  -7.364  -8.469   5.417
  144   2HZ   LYS  18          HZ2       LYS  18  -8.491  -8.456   4.146
  145   3HZ   LYS  18          HZ3       LYS  18  -9.012  -8.703   5.745
  146    H    GLU  19           HN       GLU  19  -4.549  -3.446   4.633
  147    HA   GLU  19           HA       GLU  19  -5.762  -3.707   7.295
  148   1HB   GLU  19          HB2       GLU  19  -4.022  -5.233   6.702
  149   2HB   GLU  19          HB1       GLU  19  -2.992  -3.936   6.096
  150   1HG   GLU  19          HG2       GLU  19  -3.718  -3.466   8.865
  151   2HG   GLU  19          HG1       GLU  19  -2.951  -5.042   8.676
  152    H    ALA  20           HN       ALA  20  -4.336  -1.216   5.397
  153    HA   ALA  20           HA       ALA  20  -3.462   0.413   7.699
  154   1HB   ALA  20          HB1       ALA  20  -2.474   0.168   5.270
  155   2HB   ALA  20          HB2       ALA  20  -2.480   1.753   6.044
  156   3HB   ALA  20          HB3       ALA  20  -3.714   1.349   4.851
  157    H    ILE  21           HN       ILE  21  -5.770   0.918   4.981
  158    HA   ILE  21           HA       ILE  21  -7.278   2.793   6.755
  159    HB   ILE  21           HB       ILE  21  -8.290   3.450   4.500
  160   1HG1  ILE  21          HG12      ILE  21  -7.274   1.119   3.601
  161   2HG1  ILE  21          HG11      ILE  21  -7.560   2.496   2.541
  162   1HG2  ILE  21          HG21      ILE  21  -5.315   3.734   5.004
  163   2HG2  ILE  21          HG22      ILE  21  -6.595   4.828   5.532
  164   3HG2  ILE  21          HG23      ILE  21  -6.208   4.687   3.817
  165   1HD1  ILE  21          HD11      ILE  21  -5.321   2.942   2.295
  166   2HD1  ILE  21          HD12      ILE  21  -5.183   1.225   2.666
  167   3HD1  ILE  21          HD13      ILE  21  -4.931   2.424   3.936
  168    H    GLY  22           HN       GLY  22  -7.564  -0.194   4.899
  169   1HA   GLY  22          HA2       GLY  22  -9.344  -1.694   6.031
  170   2HA   GLY  22          HA1       GLY  22 -10.440  -0.355   5.691
  171    H    LYS  23           HN       LYS  23  -8.672  -0.033   3.103
  172    HA   LYS  23           HA       LYS  23 -10.143  -2.144   1.554
  173   1HB   LYS  23          HB2       LYS  23  -9.404   0.724   0.896
  174   2HB   LYS  23          HB1       LYS  23 -10.155  -0.389  -0.248
  175   1HG   LYS  23          HG2       LYS  23 -11.569  -0.344   2.301
  176   2HG   LYS  23          HG1       LYS  23 -11.497   1.256   1.561
  177   1HD   LYS  23          HD2       LYS  23 -12.309  -1.210   0.010
  178   2HD   LYS  23          HD1       LYS  23 -13.476  -0.201   0.865
  179   1HE   LYS  23          HE2       LYS  23 -12.941   1.718  -0.484
  180   2HE   LYS  23          HE1       LYS  23 -11.532   0.901  -1.189
  181   1HZ   LYS  23          HZ1       LYS  23 -12.945  -0.735  -2.173
  182   2HZ   LYS  23          HZ2       LYS  23 -13.549   0.792  -2.610
  183   3HZ   LYS  23          HZ3       LYS  23 -14.315  -0.113  -1.393
  184    H    ALA  24           HN       ALA  24  -8.976  -3.235  -0.060
  185    HA   ALA  24           HA       ALA  24  -6.029  -3.052   0.122
  186   1HB   ALA  24          HB1       ALA  24  -6.837  -4.983  -1.760
  187   2HB   ALA  24          HB2       ALA  24  -8.088  -4.995  -0.518
  188   3HB   ALA  24          HB3       ALA  24  -6.404  -5.273  -0.075
  189    H    ALA  25           HN       ALA  25  -6.497  -0.745  -1.003
  190    HA   ALA  25           HA       ALA  25  -6.193  -1.177  -3.957
  191   1HB   ALA  25          HB1       ALA  25  -8.226   0.180  -2.487
  192   2HB   ALA  25          HB2       ALA  25  -8.039   0.091  -4.239
  193   3HB   ALA  25          HB3       ALA  25  -7.284   1.406  -3.337
  194    H    GLY  26           HN       GLY  26  -3.975  -0.838  -4.142
  195   1HA   GLY  26          HA2       GLY  26  -2.904   1.778  -4.086
  196   2HA   GLY  26          HA1       GLY  26  -2.459   1.008  -2.563
  197    H    LYS  27           HN       LYS  27  -0.318   1.575  -3.982
  198    HA   LYS  27           HA       LYS  27   0.495  -1.045  -5.189
  199   1HB   LYS  27          HB2       LYS  27   1.358   1.650  -6.254
  200   2HB   LYS  27          HB1       LYS  27   1.436   0.083  -7.059
  201   1HG   LYS  27          HG2       LYS  27  -1.193   0.143  -6.717
  202   2HG   LYS  27          HG1       LYS  27  -0.920   1.885  -6.645
  203   1HD   LYS  27          HD2       LYS  27   0.587   0.701  -8.820
  204   2HD   LYS  27          HD1       LYS  27  -1.127   0.314  -8.964
  205   1HE   LYS  27          HE2       LYS  27  -1.155   2.389  -9.997
  206   2HE   LYS  27          HE1       LYS  27  -1.327   2.937  -8.317
  207   1HZ   LYS  27          HZ1       LYS  27   0.806   3.612  -8.214
  208   2HZ   LYS  27          HZ2       LYS  27   0.666   3.718  -9.903
  209   3HZ   LYS  27          HZ3       LYS  27   1.379   2.351  -9.193
  210    H    CYS  28           HN       CYS  28   3.100  -0.726  -5.577
  211    HA   CYS  28           HA       CYS  28   4.195   0.433  -3.034
  212   1HB   CYS  28          HB2       CYS  28   4.090  -1.970  -2.854
  213   2HB   CYS  28          HB1       CYS  28   4.775  -2.174  -4.466
  214    H    MET  29           HN       MET  29   5.548   2.100  -3.586
  215    HA   MET  29           HA       MET  29   7.536   1.673  -5.751
  216   1HB   MET  29          HB2       MET  29   5.207   3.532  -5.763
  217   2HB   MET  29          HB1       MET  29   6.726   4.168  -6.390
  218   1HG   MET  29          HG2       MET  29   6.819   1.913  -7.720
  219   2HG   MET  29          HG1       MET  29   5.084   1.862  -7.402
  220   1HE   MET  29          HE1       MET  29   7.616   3.839 -10.226
  221   2HE   MET  29          HE2       MET  29   8.032   3.458  -8.557
  222   3HE   MET  29          HE3       MET  29   7.590   5.106  -8.992
  223    H    ASN  30           HN       ASN  30   9.264   3.327  -5.660
  224    HA   ASN  30           HA       ASN  30  10.855   4.553  -4.412
  225   1HB   ASN  30          HB2       ASN  30   8.144   5.663  -3.701
  226   2HB   ASN  30          HB1       ASN  30   9.605   6.353  -2.992
  227   1HD2  ASN  30          HD21      ASN  30   8.308   8.122  -4.580
  228   2HD2  ASN  30          HD22      ASN  30   9.050   8.274  -6.098
  229    H    GLY  31           HN       GLY  31   9.626   2.009  -3.215
  230   1HA   GLY  31          HA2       GLY  31   9.985   0.801  -1.232
  231   2HA   GLY  31          HA1       GLY  31  10.970   2.151  -0.666
  232    H    LYS  32           HN       LYS  32   7.542   2.188  -1.621
  233    HA   LYS  32           HA       LYS  32   6.671   2.451   1.187
  234   1HB   LYS  32          HB2       LYS  32   6.534   4.710  -0.838
  235   2HB   LYS  32          HB1       LYS  32   5.751   4.737   0.742
  236   1HG   LYS  32          HG2       LYS  32   8.072   4.272   1.729
  237   2HG   LYS  32          HG1       LYS  32   8.709   4.675   0.134
  238   1HD   LYS  32          HD2       LYS  32   7.708   6.887   0.235
  239   2HD   LYS  32          HD1       LYS  32   6.901   6.492   1.753
  240   1HE   LYS  32          HE2       LYS  32   9.826   6.056   1.794
  241   2HE   LYS  32          HE1       LYS  32   9.329   7.752   1.618
  242   1HZ   LYS  32          HZ1       LYS  32   9.223   7.411   3.900
  243   2HZ   LYS  32          HZ2       LYS  32   8.617   5.830   3.745
  244   3HZ   LYS  32          HZ3       LYS  32   7.617   7.163   3.414
  245    H    CYS  33           HN       CYS  33   4.259   2.555   1.302
  246    HA   CYS  33           HA       CYS  33   3.035   1.160  -1.035
  247   1HB   CYS  33          HB2       CYS  33   3.036   0.446   1.492
  248   2HB   CYS  33          HB1       CYS  33   1.742   1.633   1.638
  249    H    LYS  34           HN       LYS  34   1.486   2.175  -2.275
  250    HA   LYS  34           HA       LYS  34   0.652   4.927  -1.445
  251   1HB   LYS  34          HB2       LYS  34   0.380   3.679  -4.182
  252   2HB   LYS  34          HB1       LYS  34   0.513   5.386  -3.766
  253   1HG   LYS  34          HG2       LYS  34   2.842   5.060  -3.067
  254   2HG   LYS  34          HG1       LYS  34   2.719   3.335  -3.411
  255   1HD   LYS  34          HD2       LYS  34   3.340   3.770  -5.527
  256   2HD   LYS  34          HD1       LYS  34   1.830   4.654  -5.741
  257   1HE   LYS  34          HE2       LYS  34   2.925   6.711  -4.866
  258   2HE   LYS  34          HE1       LYS  34   4.452   5.817  -4.734
  259   1HZ   LYS  34          HZ1       LYS  34   3.901   7.088  -6.919
  260   2HZ   LYS  34          HZ2       LYS  34   2.935   5.730  -7.252
  261   3HZ   LYS  34          HZ3       LYS  34   4.606   5.547  -6.996
  262    H    CYS  35           HN       CYS  35  -1.102   4.106  -0.060
  263    HA   CYS  35           HA       CYS  35  -3.259   2.558  -1.378
  264   1HB   CYS  35          HB2       CYS  35  -3.074   3.712   1.421
  265   2HB   CYS  35          HB1       CYS  35  -4.140   2.419   0.877
  266    H    TYR  36           HN       TYR  36  -5.157   3.502  -2.083
  267    HA   TYR  36           HA       TYR  36  -5.401   6.465  -1.803
  268   1HB   TYR  36          HB2       TYR  36  -6.138   4.363  -3.779
  269   2HB   TYR  36          HB1       TYR  36  -7.222   5.749  -3.662
  270    HD1  TYR  36           HD1      TYR  36  -3.559   5.774  -3.024
  271    HD2  TYR  36           HD2      TYR  36  -6.723   6.857  -5.720
  272    HE1  TYR  36           HE1      TYR  36  -1.964   7.132  -4.352
  273    HE2  TYR  36           HE2      TYR  36  -5.129   8.215  -7.047
  274    HH   TYR  36           HH       TYR  36  -1.671   8.337  -6.202
  275    HA   PRO  37           HA       PRO  37  -8.600   5.396   1.225
  276   1HB   PRO  37          HB2       PRO  37  -9.237   8.200   1.352
  277   2HB   PRO  37          HB1       PRO  37  -8.361   7.230   2.539
  278   1HG   PRO  37          HG2       PRO  37  -7.303   9.231   0.771
  279   2HG   PRO  37          HG1       PRO  37  -6.433   8.266   1.968
  280   1HD   PRO  37          HD2       PRO  37  -6.314   8.039  -0.902
  281   2HD   PRO  37          HD1       PRO  37  -5.464   7.044   0.306
  Start of MODEL    2
    1   1H    VAL   1          HT1       VAL   1  -2.733   9.502   1.517
    2   2H    VAL   1          HT2       VAL   1  -2.373  10.222   3.013
    3   3H    VAL   1          HT3       VAL   1  -3.983   9.862   2.606
    4    HA   VAL   1           HA       VAL   1  -2.731   8.282   4.207
    5    HB   VAL   1           HB       VAL   1  -4.990   8.089   3.120
    6   1HG1  VAL   1          HG11      VAL   1  -3.715   7.995   0.777
    7   2HG1  VAL   1          HG12      VAL   1  -5.281   7.220   1.002
    8   3HG1  VAL   1          HG13      VAL   1  -3.804   6.260   1.077
    9   1HG2  VAL   1          HG21      VAL   1  -3.325   6.046   4.183
   10   2HG2  VAL   1          HG22      VAL   1  -4.225   5.328   2.846
   11   3HG2  VAL   1          HG23      VAL   1  -5.088   6.102   4.176
   12    H    PHE   2           HN       PHE   2  -0.546   7.736   4.153
   13    HA   PHE   2           HA       PHE   2   0.324   5.912   1.977
   14   1HB   PHE   2          HB2       PHE   2   1.355   8.666   2.577
   15   2HB   PHE   2          HB1       PHE   2   2.477   7.449   1.968
   16    HD1  PHE   2           HD1      PHE   2   2.285   6.563  -0.280
   17    HD2  PHE   2           HD2      PHE   2  -0.568   9.400   1.221
   18    HE1  PHE   2           HE1      PHE   2   1.417   6.904  -2.576
   19    HE2  PHE   2           HE2      PHE   2  -1.436   9.743  -1.075
   20    HZ   PHE   2           HZ       PHE   2  -0.443   8.495  -2.975
   21    H    ILE   3           HN       ILE   3   2.152   4.614   2.602
   22    HA   ILE   3           HA       ILE   3   2.865   4.793   5.514
   23    HB   ILE   3           HB       ILE   3   2.911   2.238   3.930
   24   1HG1  ILE   3          HG12      ILE   3   0.446   3.448   5.230
   25   2HG1  ILE   3          HG11      ILE   3   0.686   3.244   3.494
   26   1HG2  ILE   3          HG21      ILE   3   3.380   3.002   6.601
   27   2HG2  ILE   3          HG22      ILE   3   3.281   1.359   5.967
   28   3HG2  ILE   3          HG23      ILE   3   1.839   2.144   6.614
   29   1HD1  ILE   3          HD11      ILE   3   0.493   0.927   3.602
   30   2HD1  ILE   3          HD12      ILE   3  -0.635   1.417   4.867
   31   3HD1  ILE   3          HD13      ILE   3   0.984   0.863   5.295
   32    H    ASN   4           HN       ASN   4   5.047   3.830   5.974
   33    HA   ASN   4           HA       ASN   4   6.941   4.442   3.740
   34   1HB   ASN   4          HB2       ASN   4   8.544   4.677   5.694
   35   2HB   ASN   4          HB1       ASN   4   7.199   5.819   5.707
   36   1HD2  ASN   4          HD21      ASN   4   7.218   6.019   8.056
   37   2HD2  ASN   4          HD22      ASN   4   6.703   4.748   9.058
   38    H    ALA   5           HN       ALA   5   5.629   1.842   5.522
   39    HA   ALA   5           HA       ALA   5   7.643   0.006   5.986
   40   1HB   ALA   5          HB1       ALA   5   5.888  -1.466   6.026
   41   2HB   ALA   5          HB2       ALA   5   5.354  -1.015   4.406
   42   3HB   ALA   5          HB3       ALA   5   4.916  -0.013   5.790
   43    H    LYS   6           HN       LYS   6   9.378  -0.486   4.696
   44    HA   LYS   6           HA       LYS   6   9.607   0.047   1.918
   45   1HB   LYS   6          HB2       LYS   6  11.138  -0.971   4.043
   46   2HB   LYS   6          HB1       LYS   6  11.174  -2.226   2.803
   47   1HG   LYS   6          HG2       LYS   6  11.544  -0.023   1.261
   48   2HG   LYS   6          HG1       LYS   6  12.318   0.509   2.754
   49   1HD   LYS   6          HD2       LYS   6  13.249  -2.074   2.504
   50   2HD   LYS   6          HD1       LYS   6  13.183  -1.535   0.826
   51   1HE   LYS   6          HE2       LYS   6  15.142  -0.451   1.190
   52   2HE   LYS   6          HE1       LYS   6  14.264   0.638   2.283
   53   1HZ   LYS   6          HZ1       LYS   6  16.137  -0.633   3.338
   54   2HZ   LYS   6          HZ2       LYS   6  15.225  -2.046   3.100
   55   3HZ   LYS   6          HZ3       LYS   6  14.632  -0.806   4.100
   56    H    CYS   7           HN       CYS   7   7.486  -0.838   1.154
   57    HA   CYS   7           HA       CYS   7   6.765  -3.592   1.232
   58   1HB   CYS   7          HB2       CYS   7   5.355  -2.941  -0.706
   59   2HB   CYS   7          HB1       CYS   7   5.303  -1.716   0.562
   60    H    ARG   8           HN       ARG   8   7.118  -5.270  -0.344
   61    HA   ARG   8           HA       ARG   8   9.574  -4.857  -2.010
   62   1HB   ARG   8          HB2       ARG   8   8.298  -7.274  -0.698
   63   2HB   ARG   8          HB1       ARG   8   9.675  -7.386  -1.797
   64   1HG   ARG   8          HG2       ARG   8  10.513  -5.418  -0.089
   65   2HG   ARG   8          HG1       ARG   8   9.575  -6.443   0.997
   66   1HD   ARG   8          HD2       ARG   8  11.811  -7.331   1.022
   67   2HD   ARG   8          HD1       ARG   8  10.878  -8.426  -0.018
   68    HE   ARG   8           HE       ARG   8  11.838  -6.363  -1.685
   69   1HH1  ARG   8          HH11      ARG   8  14.244  -6.644   0.127
   70   2HH1  ARG   8          HH12      ARG   8  15.166  -7.851  -0.706
   71   1HH2  ARG   8          HH21      ARG   8  12.516  -8.892  -2.684
   72   2HH2  ARG   8          HH22      ARG   8  14.187  -9.125  -2.294
   73    H    GLY   9           HN       GLY   9   6.189  -5.714  -2.109
   74   1HA   GLY   9          HA2       GLY   9   6.408  -5.941  -5.064
   75   2HA   GLY   9          HA1       GLY   9   5.596  -7.238  -4.186
   76    H    SER  10           HN       SER  10   4.428  -5.445  -6.158
   77    HA   SER  10           HA       SER  10   2.847  -3.382  -4.958
   78   1HB   SER  10          HB2       SER  10   2.536  -3.107  -7.174
   79   2HB   SER  10          HB1       SER  10   3.262  -4.681  -7.481
   80    HG   SER  10           HG       SER  10   0.841  -4.093  -7.957
   81    HA   PRO  11           HA       PRO  11  -0.647  -6.768  -4.860
   82   1HB   PRO  11          HB2       PRO  11   0.674  -9.309  -4.561
   83   2HB   PRO  11          HB1       PRO  11  -0.380  -8.773  -5.874
   84   1HG   PRO  11          HG2       PRO  11   2.445  -9.186  -5.973
   85   2HG   PRO  11          HG1       PRO  11   1.399  -8.573  -7.258
   86   1HD   PRO  11          HD2       PRO  11   3.334  -7.119  -5.669
   87   2HD   PRO  11          HD1       PRO  11   2.355  -6.517  -7.028
   88    H    GLU  12           HN       GLU  12   2.364  -6.895  -3.085
   89    HA   GLU  12           HA       GLU  12   1.282  -8.154  -0.689
   90   1HB   GLU  12          HB2       GLU  12   3.770  -7.424  -1.756
   91   2HB   GLU  12          HB1       GLU  12   3.589  -6.406  -0.326
   92   1HG   GLU  12          HG2       GLU  12   2.895  -8.540   0.917
   93   2HG   GLU  12          HG1       GLU  12   3.501  -9.423  -0.486
   94    H    CYS  13           HN       CYS  13   1.778  -4.819  -1.808
   95    HA   CYS  13           HA       CYS  13   1.088  -3.518   0.666
   96   1HB   CYS  13          HB2       CYS  13   1.672  -2.896  -2.122
   97   2HB   CYS  13          HB1       CYS  13   0.413  -1.843  -1.476
   98    H    LEU  14           HN       LEU  14  -0.814  -4.983  -1.879
   99    HA   LEU  14           HA       LEU  14  -3.269  -3.590  -1.559
  100   1HB   LEU  14          HB2       LEU  14  -2.235  -6.058  -2.724
  101   2HB   LEU  14          HB1       LEU  14  -3.880  -6.256  -2.122
  102    HG   LEU  14           HG       LEU  14  -3.953  -5.488  -4.440
  103   1HD1  LEU  14          HD11      LEU  14  -5.064  -4.049  -2.197
  104   2HD1  LEU  14          HD12      LEU  14  -5.784  -4.363  -3.776
  105   3HD1  LEU  14          HD13      LEU  14  -4.773  -2.939  -3.536
  106   1HD2  LEU  14          HD21      LEU  14  -2.333  -3.131  -3.419
  107   2HD2  LEU  14          HD22      LEU  14  -2.985  -3.296  -5.050
  108   3HD2  LEU  14          HD23      LEU  14  -1.734  -4.402  -4.485
  109    HA   PRO  15           HA       PRO  15  -4.504  -6.981   1.699
  110   1HB   PRO  15          HB2       PRO  15  -2.053  -8.109   2.696
  111   2HB   PRO  15          HB1       PRO  15  -3.364  -8.938   1.852
  112   1HG   PRO  15          HG2       PRO  15  -0.741  -8.274   0.853
  113   2HG   PRO  15          HG1       PRO  15  -2.027  -9.170   0.041
  114   1HD   PRO  15          HD2       PRO  15  -1.117  -6.525  -0.562
  115   2HD   PRO  15          HD1       PRO  15  -2.497  -7.386  -1.285
  116    H    LYS  16           HN       LYS  16  -1.193  -5.685   2.195
  117    HA   LYS  16           HA       LYS  16  -1.546  -4.949   4.945
  118   1HB   LYS  16          HB2       LYS  16   0.303  -4.321   2.679
  119   2HB   LYS  16          HB1       LYS  16   0.382  -3.294   4.111
  120   1HG   LYS  16          HG2       LYS  16   0.464  -5.528   5.437
  121   2HG   LYS  16          HG1       LYS  16   0.897  -6.254   3.889
  122   1HD   LYS  16          HD2       LYS  16   3.025  -5.614   4.255
  123   2HD   LYS  16          HD1       LYS  16   2.491  -3.940   4.111
  124   1HE   LYS  16          HE2       LYS  16   1.715  -4.461   6.669
  125   2HE   LYS  16          HE1       LYS  16   3.153  -5.496   6.548
  126   1HZ   LYS  16          HZ1       LYS  16   2.929  -2.585   6.220
  127   2HZ   LYS  16          HZ2       LYS  16   4.108  -3.416   5.322
  128   3HZ   LYS  16          HZ3       LYS  16   4.122  -3.488   7.019
  129    H    CYS  17           HN       CYS  17  -1.637  -2.916   1.990
  130    HA   CYS  17           HA       CYS  17  -2.388  -0.478   3.198
  131   1HB   CYS  17          HB2       CYS  17  -1.690  -0.711   0.872
  132   2HB   CYS  17          HB1       CYS  17  -3.099  -1.711   0.517
  133    H    LYS  18           HN       LYS  18  -4.396  -3.235   2.206
  134    HA   LYS  18           HA       LYS  18  -6.959  -2.020   2.549
  135   1HB   LYS  18          HB2       LYS  18  -6.565  -4.129   1.378
  136   2HB   LYS  18          HB1       LYS  18  -5.979  -4.875   2.865
  137   1HG   LYS  18          HG2       LYS  18  -8.381  -4.017   3.735
  138   2HG   LYS  18          HG1       LYS  18  -8.765  -4.253   2.029
  139   1HD   LYS  18          HD2       LYS  18  -7.327  -6.521   2.586
  140   2HD   LYS  18          HD1       LYS  18  -8.166  -6.251   4.114
  141   1HE   LYS  18          HE2       LYS  18  -9.532  -6.321   1.397
  142   2HE   LYS  18          HE1       LYS  18  -9.521  -7.660   2.562
  143   1HZ   LYS  18          HZ1       LYS  18 -10.708  -4.970   2.862
  144   2HZ   LYS  18          HZ2       LYS  18 -10.308  -5.907   4.221
  145   3HZ   LYS  18          HZ3       LYS  18 -11.443  -6.480   3.095
  146    H    GLU  19           HN       GLU  19  -4.894  -3.830   4.849
  147    HA   GLU  19           HA       GLU  19  -6.797  -3.624   7.038
  148   1HB   GLU  19          HB2       GLU  19  -4.972  -4.612   8.308
  149   2HB   GLU  19          HB1       GLU  19  -5.008  -5.370   6.717
  150   1HG   GLU  19          HG2       GLU  19  -2.982  -4.526   6.144
  151   2HG   GLU  19          HG1       GLU  19  -3.347  -2.944   6.830
  152    H    ALA  20           HN       ALA  20  -4.499  -1.468   5.645
  153    HA   ALA  20           HA       ALA  20  -4.190   0.129   8.124
  154   1HB   ALA  20          HB1       ALA  20  -2.469  -0.480   6.189
  155   2HB   ALA  20          HB2       ALA  20  -2.397   1.087   6.994
  156   3HB   ALA  20          HB3       ALA  20  -3.180   0.938   5.420
  157    H    ILE  21           HN       ILE  21  -5.779   0.299   4.952
  158    HA   ILE  21           HA       ILE  21  -6.985   2.920   5.755
  159    HB   ILE  21           HB       ILE  21  -5.623   2.868   3.693
  160   1HG1  ILE  21          HG12      ILE  21  -8.472   3.022   2.754
  161   2HG1  ILE  21          HG11      ILE  21  -7.904   4.156   3.979
  162   1HG2  ILE  21          HG21      ILE  21  -5.711   1.123   2.276
  163   2HG2  ILE  21          HG22      ILE  21  -7.441   1.363   2.034
  164   3HG2  ILE  21          HG23      ILE  21  -6.869   0.352   3.362
  165   1HD1  ILE  21          HD11      ILE  21  -6.298   5.099   2.544
  166   2HD1  ILE  21          HD12      ILE  21  -7.673   4.831   1.474
  167   3HD1  ILE  21          HD13      ILE  21  -6.313   3.707   1.462
  168    H    GLY  22           HN       GLY  22  -7.668  -0.412   5.224
  169   1HA   GLY  22          HA2       GLY  22  -9.789  -1.374   5.912
  170   2HA   GLY  22          HA1       GLY  22 -10.567   0.166   5.549
  171    H    LYS  23           HN       LYS  23  -8.764   0.049   2.968
  172    HA   LYS  23           HA       LYS  23 -10.406  -1.949   1.464
  173   1HB   LYS  23          HB2       LYS  23 -11.431   0.338   1.441
  174   2HB   LYS  23          HB1       LYS  23  -9.955   0.952   0.695
  175   1HG   LYS  23          HG2       LYS  23 -11.842   0.375  -0.918
  176   2HG   LYS  23          HG1       LYS  23 -10.285  -0.376  -1.268
  177   1HD   LYS  23          HD2       LYS  23 -10.987  -2.482  -0.576
  178   2HD   LYS  23          HD1       LYS  23 -12.233  -1.830   0.488
  179   1HE   LYS  23          HE2       LYS  23 -13.784  -1.939  -1.161
  180   2HE   LYS  23          HE1       LYS  23 -12.719  -1.075  -2.288
  181   1HZ   LYS  23          HZ1       LYS  23 -11.411  -3.321  -2.203
  182   2HZ   LYS  23          HZ2       LYS  23 -12.742  -3.143  -3.245
  183   3HZ   LYS  23          HZ3       LYS  23 -12.920  -3.958  -1.765
  184    H    ALA  24           HN       ALA  24  -9.065  -3.162   0.197
  185    HA   ALA  24           HA       ALA  24  -6.254  -2.652  -0.065
  186   1HB   ALA  24          HB1       ALA  24  -6.538  -4.853  -0.511
  187   2HB   ALA  24          HB2       ALA  24  -7.089  -4.385  -2.119
  188   3HB   ALA  24          HB3       ALA  24  -8.258  -4.617  -0.818
  189    H    ALA  25           HN       ALA  25  -6.449  -0.350  -0.881
  190    HA   ALA  25           HA       ALA  25  -6.712  -0.330  -3.868
  191   1HB   ALA  25          HB1       ALA  25  -8.683   0.687  -2.859
  192   2HB   ALA  25          HB2       ALA  25  -7.689   1.970  -3.547
  193   3HB   ALA  25          HB3       ALA  25  -7.675   1.681  -1.808
  194    H    GLY  26           HN       GLY  26  -4.237  -0.715  -3.279
  195   1HA   GLY  26          HA2       GLY  26  -2.912   1.872  -3.630
  196   2HA   GLY  26          HA1       GLY  26  -2.520   1.065  -2.113
  197    H    LYS  27           HN       LYS  27  -0.318   1.245  -3.353
  198    HA   LYS  27           HA       LYS  27   0.191  -1.426  -4.549
  199   1HB   LYS  27          HB2       LYS  27   0.366   1.245  -5.898
  200   2HB   LYS  27          HB1       LYS  27   1.549   0.013  -6.329
  201   1HG   LYS  27          HG2       LYS  27   0.009  -0.884  -7.704
  202   2HG   LYS  27          HG1       LYS  27  -0.926  -1.322  -6.275
  203   1HD   LYS  27          HD2       LYS  27  -2.405  -0.026  -7.624
  204   2HD   LYS  27          HD1       LYS  27  -1.866   1.059  -6.341
  205   1HE   LYS  27          HE2       LYS  27   0.072   1.579  -8.133
  206   2HE   LYS  27          HE1       LYS  27  -1.225   1.117  -9.254
  207   1HZ   LYS  27          HZ1       LYS  27  -1.257   3.508  -8.569
  208   2HZ   LYS  27          HZ2       LYS  27  -1.614   2.994  -6.989
  209   3HZ   LYS  27          HZ3       LYS  27  -2.695   2.667  -8.257
  210    H    CYS  28           HN       CYS  28   2.830  -0.912  -5.360
  211    HA   CYS  28           HA       CYS  28   4.156   0.076  -2.856
  212   1HB   CYS  28          HB2       CYS  28   4.132  -2.315  -2.749
  213   2HB   CYS  28          HB1       CYS  28   4.545  -2.465  -4.457
  214    H    MET  29           HN       MET  29   5.466   1.771  -3.439
  215    HA   MET  29           HA       MET  29   7.209   1.483  -5.823
  216   1HB   MET  29          HB2       MET  29   4.851   3.249  -5.531
  217   2HB   MET  29          HB1       MET  29   6.297   4.034  -6.168
  218   1HG   MET  29          HG2       MET  29   5.957   3.073  -8.171
  219   2HG   MET  29          HG1       MET  29   6.026   1.476  -7.427
  220   1HE   MET  29          HE1       MET  29   4.407   2.304  -9.964
  221   2HE   MET  29          HE2       MET  29   4.010   3.911  -9.361
  222   3HE   MET  29          HE3       MET  29   2.717   2.777  -9.744
  223    H    ASN  30           HN       ASN  30   8.911   3.196  -5.833
  224    HA   ASN  30           HA       ASN  30  10.627   4.336  -4.664
  225   1HB   ASN  30          HB2       ASN  30   8.344   5.746  -4.672
  226   2HB   ASN  30          HB1       ASN  30   8.499   5.518  -2.931
  227   1HD2  ASN  30          HD21      ASN  30   8.773   8.089  -3.454
  228   2HD2  ASN  30          HD22      ASN  30  10.389   8.595  -3.553
  229    H    GLY  31           HN       GLY  31   9.473   1.733  -3.500
  230   1HA   GLY  31          HA2       GLY  31   9.995   0.416  -1.625
  231   2HA   GLY  31          HA1       GLY  31  11.048   1.722  -1.080
  232    H    LYS  32           HN       LYS  32   7.686   2.343  -1.793
  233    HA   LYS  32           HA       LYS  32   7.057   2.380   1.134
  234   1HB   LYS  32          HB2       LYS  32   6.744   4.561  -0.946
  235   2HB   LYS  32          HB1       LYS  32   5.918   4.607   0.612
  236   1HG   LYS  32          HG2       LYS  32   8.106   4.446   1.764
  237   2HG   LYS  32          HG1       LYS  32   8.919   4.448   0.200
  238   1HD   LYS  32          HD2       LYS  32   8.881   6.710   1.230
  239   2HD   LYS  32          HD1       LYS  32   8.010   6.665  -0.303
  240   1HE   LYS  32          HE2       LYS  32   6.046   7.212   0.702
  241   2HE   LYS  32          HE1       LYS  32   6.289   6.009   1.984
  242   1HZ   LYS  32          HZ1       LYS  32   7.631   8.656   1.802
  243   2HZ   LYS  32          HZ2       LYS  32   7.916   7.490   3.005
  244   3HZ   LYS  32          HZ3       LYS  32   6.398   8.246   2.892
  245    H    CYS  33           HN       CYS  33   4.552   2.819   1.346
  246    HA   CYS  33           HA       CYS  33   3.181   1.144  -0.734
  247   1HB   CYS  33          HB2       CYS  33   3.481   0.487   1.787
  248   2HB   CYS  33          HB1       CYS  33   2.178   1.645   2.059
  249    H    LYS  34           HN       LYS  34   1.914   2.379  -2.056
  250    HA   LYS  34           HA       LYS  34   0.822   4.963  -1.057
  251   1HB   LYS  34          HB2       LYS  34   0.661   3.751  -3.827
  252   2HB   LYS  34          HB1       LYS  34   0.559   5.455  -3.388
  253   1HG   LYS  34          HG2       LYS  34   2.882   5.532  -2.793
  254   2HG   LYS  34          HG1       LYS  34   3.029   3.777  -2.894
  255   1HD   LYS  34          HD2       LYS  34   3.966   4.849  -4.907
  256   2HD   LYS  34          HD1       LYS  34   2.556   3.873  -5.314
  257   1HE   LYS  34          HE2       LYS  34   1.789   6.600  -4.608
  258   2HE   LYS  34          HE1       LYS  34   2.911   6.560  -5.983
  259   1HZ   LYS  34          HZ1       LYS  34   0.282   5.266  -5.698
  260   2HZ   LYS  34          HZ2       LYS  34   1.455   4.554  -6.699
  261   3HZ   LYS  34          HZ3       LYS  34   0.912   6.132  -7.014
  262    H    CYS  35           HN       CYS  35  -1.481   5.370  -1.154
  263    HA   CYS  35           HA       CYS  35  -3.245   3.086  -1.860
  264   1HB   CYS  35          HB2       CYS  35  -2.946   4.346   0.880
  265   2HB   CYS  35          HB1       CYS  35  -4.324   3.342   0.431
  266    H    TYR  36           HN       TYR  36  -5.467   3.745  -2.140
  267    HA   TYR  36           HA       TYR  36  -5.928   6.703  -2.111
  268   1HB   TYR  36          HB2       TYR  36  -6.231   4.648  -4.284
  269   2HB   TYR  36          HB1       TYR  36  -7.270   6.074  -4.290
  270    HD1  TYR  36           HD1      TYR  36  -6.496   8.037  -5.294
  271    HD2  TYR  36           HD2      TYR  36  -3.662   5.121  -3.906
  272    HE1  TYR  36           HE1      TYR  36  -4.642   9.380  -6.251
  273    HE2  TYR  36           HE2      TYR  36  -1.811   6.464  -4.862
  274    HH   TYR  36           HH       TYR  36  -1.570   8.189  -6.736
  275    HA   PRO  37           HA       PRO  37  -9.483   5.328   0.236
  276   1HB   PRO  37          HB2       PRO  37 -10.786   7.837  -0.294
  277   2HB   PRO  37          HB1       PRO  37  -9.973   7.323   1.188
  278   1HG   PRO  37          HG2       PRO  37  -9.078   9.267  -0.723
  279   2HG   PRO  37          HG1       PRO  37  -8.270   8.749   0.758
  280   1HD   PRO  37          HD2       PRO  37  -7.518   8.160  -1.965
  281   2HD   PRO  37          HD1       PRO  37  -6.710   7.628  -0.469
  Start of MODEL    3
    1   1H    VAL   1          HT1       VAL   1  -2.312   9.108   1.159
    2   2H    VAL   1          HT2       VAL   1  -3.327   9.962   2.221
    3   3H    VAL   1          HT3       VAL   1  -3.938   8.657   1.321
    4    HA   VAL   1           HA       VAL   1  -2.435   8.648   3.803
    5    HB   VAL   1           HB       VAL   1  -4.331   6.785   2.335
    6   1HG1  VAL   1          HG11      VAL   1  -4.611   6.234   4.985
    7   2HG1  VAL   1          HG12      VAL   1  -2.890   6.616   4.917
    8   3HG1  VAL   1          HG13      VAL   1  -3.549   5.326   3.909
    9   1HG2  VAL   1          HG21      VAL   1  -5.256   8.189   4.739
   10   2HG2  VAL   1          HG22      VAL   1  -6.035   8.034   3.164
   11   3HG2  VAL   1          HG23      VAL   1  -4.823   9.287   3.429
   12    H    PHE   2           HN       PHE   2  -0.257   8.596   2.614
   13    HA   PHE   2           HA       PHE   2   0.371   5.954   1.385
   14   1HB   PHE   2          HB2       PHE   2   1.593   8.700   1.499
   15   2HB   PHE   2          HB1       PHE   2   2.609   7.322   1.079
   16    HD1  PHE   2           HD1      PHE   2   2.818   8.682  -1.136
   17    HD2  PHE   2           HD2      PHE   2  -0.813   6.797   0.178
   18    HE1  PHE   2           HE1      PHE   2   1.945   8.743  -3.456
   19    HE2  PHE   2           HE2      PHE   2  -1.684   6.858  -2.143
   20    HZ   PHE   2           HZ       PHE   2  -0.304   7.830  -3.960
   21    H    ILE   3           HN       ILE   3   1.911   4.558   2.342
   22    HA   ILE   3           HA       ILE   3   2.853   5.339   5.084
   23    HB   ILE   3           HB       ILE   3   2.627   2.851   5.533
   24   1HG1  ILE   3          HG12      ILE   3   0.960   2.833   3.014
   25   2HG1  ILE   3          HG11      ILE   3   2.660   2.361   3.001
   26   1HG2  ILE   3          HG21      ILE   3   0.902   4.470   6.239
   27   2HG2  ILE   3          HG22      ILE   3   0.168   2.944   5.747
   28   3HG2  ILE   3          HG23      ILE   3   0.127   4.333   4.661
   29   1HD1  ILE   3          HD11      ILE   3   1.458   0.332   3.324
   30   2HD1  ILE   3          HD12      ILE   3   0.384   1.071   4.512
   31   3HD1  ILE   3          HD13      ILE   3   2.072   0.765   4.920
   32    H    ASN   4           HN       ASN   4   5.027   5.019   5.483
   33    HA   ASN   4           HA       ASN   4   6.806   4.432   3.252
   34   1HB   ASN   4          HB2       ASN   4   8.525   4.876   4.973
   35   2HB   ASN   4          HB1       ASN   4   7.251   6.094   5.037
   36   1HD2  ASN   4          HD21      ASN   4   7.242   6.576   7.281
   37   2HD2  ASN   4          HD22      ASN   4   6.948   5.419   8.487
   38    H    ALA   5           HN       ALA   5   5.004   2.393   5.134
   39    HA   ALA   5           HA       ALA   5   6.567   0.383   6.201
   40   1HB   ALA   5          HB1       ALA   5   3.944   0.737   5.319
   41   2HB   ALA   5          HB2       ALA   5   4.561  -0.676   6.176
   42   3HB   ALA   5          HB3       ALA   5   4.506  -0.667   4.412
   43    H    LYS   6           HN       LYS   6   8.595   0.119   5.128
   44    HA   LYS   6           HA       LYS   6   9.162  -0.132   2.414
   45   1HB   LYS   6          HB2       LYS   6  11.033  -1.621   3.238
   46   2HB   LYS   6          HB1       LYS   6  10.856  -0.123   4.152
   47   1HG   LYS   6          HG2       LYS   6  10.723  -1.401   6.008
   48   2HG   LYS   6          HG1       LYS   6   9.134  -1.908   5.434
   49   1HD   LYS   6          HD2       LYS   6   9.875  -3.970   4.855
   50   2HD   LYS   6          HD1       LYS   6  11.352  -3.330   4.134
   51   1HE   LYS   6          HE2       LYS   6  10.890  -3.641   7.126
   52   2HE   LYS   6          HE1       LYS   6  11.853  -4.745   6.124
   53   1HZ   LYS   6          HZ1       LYS   6  13.548  -3.337   6.231
   54   2HZ   LYS   6          HZ2       LYS   6  12.646  -2.294   7.223
   55   3HZ   LYS   6          HZ3       LYS   6  12.611  -2.106   5.535
   56    H    CYS   7           HN       CYS   7   7.400  -1.224   1.315
   57    HA   CYS   7           HA       CYS   7   6.655  -3.956   2.053
   58   1HB   CYS   7          HB2       CYS   7   5.099  -3.719   0.269
   59   2HB   CYS   7          HB1       CYS   7   5.262  -2.094   0.930
   60    H    ARG   8           HN       ARG   8   6.605  -5.445  -0.170
   61    HA   ARG   8           HA       ARG   8   9.482  -5.639  -0.993
   62   1HB   ARG   8          HB2       ARG   8   7.316  -7.550  -0.256
   63   2HB   ARG   8          HB1       ARG   8   8.439  -8.074  -1.512
   64   1HG   ARG   8          HG2       ARG   8   9.364  -6.933   1.133
   65   2HG   ARG   8          HG1       ARG   8   9.115  -8.661   0.874
   66   1HD   ARG   8          HD2       ARG   8  10.648  -8.278  -1.240
   67   2HD   ARG   8          HD1       ARG   8  11.189  -6.851  -0.334
   68    HE   ARG   8           HE       ARG   8  11.155  -9.542   0.969
   69   1HH1  ARG   8          HH21      ARG   8  12.063  -6.866   2.222
   70   2HH1  ARG   8          HH22      ARG   8  13.782  -7.054   2.146
   71   1HH2  ARG   8          HH11      ARG   8  13.659  -9.704  -0.088
   72   2HH2  ARG   8          HH12      ARG   8  14.687  -8.662   0.839
   73    H    GLY   9           HN       GLY   9   6.154  -5.478  -2.123
   74   1HA   GLY   9          HA2       GLY   9   7.044  -4.804  -4.808
   75   2HA   GLY   9          HA1       GLY   9   6.300  -6.401  -4.733
   76    H    SER  10           HN       SER  10   4.829  -5.058  -6.267
   77    HA   SER  10           HA       SER  10   3.014  -3.117  -5.157
   78   1HB   SER  10          HB2       SER  10   3.021  -2.964  -7.428
   79   2HB   SER  10          HB1       SER  10   3.453  -4.658  -7.630
   80    HG   SER  10           HG       SER  10   1.300  -5.201  -7.253
   81    HA   PRO  11           HA       PRO  11  -0.067  -6.887  -5.067
   82   1HB   PRO  11          HB2       PRO  11   1.524  -9.229  -4.553
   83   2HB   PRO  11          HB1       PRO  11   0.485  -8.895  -5.942
   84   1HG   PRO  11          HG2       PRO  11   3.343  -8.962  -5.879
   85   2HG   PRO  11          HG1       PRO  11   2.301  -8.569  -7.251
   86   1HD   PRO  11          HD2       PRO  11   3.961  -6.784  -5.695
   87   2HD   PRO  11          HD1       PRO  11   2.966  -6.391  -7.118
   88    H    GLU  12           HN       GLU  12   2.665  -6.212  -3.113
   89    HA   GLU  12           HA       GLU  12   1.639  -7.594  -0.711
   90   1HB   GLU  12          HB2       GLU  12   4.102  -7.048  -1.538
   91   2HB   GLU  12          HB1       GLU  12   3.804  -5.515  -0.718
   92   1HG   GLU  12          HG2       GLU  12   4.513  -6.630   1.137
   93   2HG   GLU  12          HG1       GLU  12   2.880  -7.297   1.141
   94    H    CYS  13           HN       CYS  13   1.384  -4.509  -2.265
   95    HA   CYS  13           HA       CYS  13   0.774  -2.859   0.010
   96   1HB   CYS  13          HB2       CYS  13   0.695  -2.793  -2.925
   97   2HB   CYS  13          HB1       CYS  13  -0.573  -1.820  -2.180
   98    H    LEU  14           HN       LEU  14  -1.220  -4.892  -2.126
   99    HA   LEU  14           HA       LEU  14  -3.800  -4.098  -1.452
  100   1HB   LEU  14          HB2       LEU  14  -2.423  -6.426  -2.473
  101   2HB   LEU  14          HB1       LEU  14  -3.772  -6.923  -1.452
  102    HG   LEU  14           HG       LEU  14  -4.447  -6.592  -3.833
  103   1HD1  LEU  14          HD11      LEU  14  -6.432  -6.160  -2.859
  104   2HD1  LEU  14          HD12      LEU  14  -6.022  -4.445  -2.881
  105   3HD1  LEU  14          HD13      LEU  14  -5.630  -5.428  -1.470
  106   1HD2  LEU  14          HD21      LEU  14  -2.739  -4.519  -3.864
  107   2HD2  LEU  14          HD22      LEU  14  -4.217  -3.637  -3.479
  108   3HD2  LEU  14          HD23      LEU  14  -4.125  -4.601  -4.953
  109    HA   PRO  15           HA       PRO  15  -3.724  -7.001   2.455
  110   1HB   PRO  15          HB2       PRO  15  -0.956  -7.357   3.155
  111   2HB   PRO  15          HB1       PRO  15  -2.129  -8.598   2.703
  112   1HG   PRO  15          HG2       PRO  15   0.081  -7.582   1.150
  113   2HG   PRO  15          HG1       PRO  15  -1.039  -8.884   0.741
  114   1HD   PRO  15          HD2       PRO  15  -0.913  -6.285  -0.439
  115   2HD   PRO  15          HD1       PRO  15  -2.134  -7.543  -0.735
  116    H    LYS  16           HN       LYS  16  -0.910  -4.840   2.018
  117    HA   LYS  16           HA       LYS  16  -0.916  -3.729   4.664
  118   1HB   LYS  16          HB2       LYS  16   0.214  -3.149   1.975
  119   2HB   LYS  16          HB1       LYS  16   0.187  -1.803   3.116
  120   1HG   LYS  16          HG2       LYS  16   2.295  -3.048   3.324
  121   2HG   LYS  16          HG1       LYS  16   1.335  -3.223   4.794
  122   1HD   LYS  16          HD2       LYS  16   0.421  -5.379   3.807
  123   2HD   LYS  16          HD1       LYS  16   1.652  -5.231   2.553
  124   1HE   LYS  16          HE2       LYS  16   3.390  -5.692   4.013
  125   2HE   LYS  16          HE1       LYS  16   2.537  -4.999   5.406
  126   1HZ   LYS  16          HZ1       LYS  16   0.865  -6.883   4.976
  127   2HZ   LYS  16          HZ2       LYS  16   2.327  -7.270   5.749
  128   3HZ   LYS  16          HZ3       LYS  16   2.119  -7.613   4.098
  129    H    CYS  17           HN       CYS  17  -2.264  -2.431   1.593
  130    HA   CYS  17           HA       CYS  17  -3.432  -0.075   2.652
  131   1HB   CYS  17          HB2       CYS  17  -4.247  -1.938   0.401
  132   2HB   CYS  17          HB1       CYS  17  -4.939  -0.334   0.636
  133    H    LYS  18           HN       LYS  18  -4.842  -3.340   2.277
  134    HA   LYS  18           HA       LYS  18  -7.429  -2.742   3.330
  135   1HB   LYS  18          HB2       LYS  18  -6.764  -4.775   2.062
  136   2HB   LYS  18          HB1       LYS  18  -5.791  -5.298   3.436
  137   1HG   LYS  18          HG2       LYS  18  -7.609  -5.972   4.630
  138   2HG   LYS  18          HG1       LYS  18  -8.584  -4.602   4.098
  139   1HD   LYS  18          HD2       LYS  18  -9.682  -6.138   2.835
  140   2HD   LYS  18          HD1       LYS  18  -8.287  -6.012   1.761
  141   1HE   LYS  18          HE2       LYS  18  -7.193  -7.861   3.111
  142   2HE   LYS  18          HE1       LYS  18  -8.750  -8.078   3.934
  143   1HZ   LYS  18          HZ1       LYS  18  -8.725  -7.894   1.008
  144   2HZ   LYS  18          HZ2       LYS  18  -9.785  -8.745   2.028
  145   3HZ   LYS  18          HZ3       LYS  18  -8.229  -9.353   1.718
  146    H    GLU  19           HN       GLU  19  -4.365  -3.558   4.897
  147    HA   GLU  19           HA       GLU  19  -5.627  -3.739   7.564
  148   1HB   GLU  19          HB2       GLU  19  -3.751  -5.203   6.735
  149   2HB   GLU  19          HB1       GLU  19  -2.712  -3.777   6.715
  150   1HG   GLU  19          HG2       GLU  19  -3.899  -3.725   9.244
  151   2HG   GLU  19          HG1       GLU  19  -3.527  -5.429   8.971
  152    H    ALA  20           HN       ALA  20  -4.346  -1.301   5.537
  153    HA   ALA  20           HA       ALA  20  -3.348   0.434   7.695
  154   1HB   ALA  20          HB1       ALA  20  -2.257   1.240   5.888
  155   2HB   ALA  20          HB2       ALA  20  -3.792   1.815   5.236
  156   3HB   ALA  20          HB3       ALA  20  -3.214   0.197   4.836
  157    H    ILE  21           HN       ILE  21  -6.090   0.500   5.386
  158    HA   ILE  21           HA       ILE  21  -7.532   2.289   7.320
  159    HB   ILE  21           HB       ILE  21  -8.597   3.150   5.114
  160   1HG1  ILE  21          HG12      ILE  21  -6.096   1.798   4.044
  161   2HG1  ILE  21          HG11      ILE  21  -7.755   1.316   3.689
  162   1HG2  ILE  21          HG21      ILE  21  -7.278   4.866   5.737
  163   2HG2  ILE  21          HG22      ILE  21  -6.007   4.173   4.730
  164   3HG2  ILE  21          HG23      ILE  21  -6.095   3.765   6.444
  165   1HD1  ILE  21          HD11      ILE  21  -7.981   2.926   2.123
  166   2HD1  ILE  21          HD12      ILE  21  -6.237   3.157   2.244
  167   3HD1  ILE  21          HD13      ILE  21  -7.328   4.158   3.202
  168    H    GLY  22           HN       GLY  22  -7.760  -0.311   4.922
  169   1HA   GLY  22          HA2       GLY  22  -9.343  -2.164   5.632
  170   2HA   GLY  22          HA1       GLY  22 -10.519  -0.883   5.932
  171    H    LYS  23           HN       LYS  23  -8.340  -0.695   3.213
  172    HA   LYS  23           HA       LYS  23 -10.618  -1.355   1.377
  173   1HB   LYS  23          HB2       LYS  23  -8.617   0.916   1.421
  174   2HB   LYS  23          HB1       LYS  23  -9.535   0.519  -0.029
  175   1HG   LYS  23          HG2       LYS  23 -11.335   0.596   2.203
  176   2HG   LYS  23          HG1       LYS  23 -10.385   2.083   2.183
  177   1HD   LYS  23          HD2       LYS  23 -10.980   2.466  -0.160
  178   2HD   LYS  23          HD1       LYS  23 -11.870   0.944  -0.203
  179   1HE   LYS  23          HE2       LYS  23 -12.701   2.689   2.013
  180   2HE   LYS  23          HE1       LYS  23 -12.994   3.393   0.410
  181   1HZ   LYS  23          HZ1       LYS  23 -13.983   0.856   1.528
  182   2HZ   LYS  23          HZ2       LYS  23 -13.757   0.994  -0.151
  183   3HZ   LYS  23          HZ3       LYS  23 -14.825   2.041   0.655
  184    H    ALA  24           HN       ALA  24  -9.000  -0.936  -0.975
  185    HA   ALA  24           HA       ALA  24  -6.622  -2.644  -0.771
  186   1HB   ALA  24          HB1       ALA  24  -7.790  -4.562  -1.055
  187   2HB   ALA  24          HB2       ALA  24  -8.195  -3.990  -2.674
  188   3HB   ALA  24          HB3       ALA  24  -9.286  -3.668  -1.325
  189    H    ALA  25           HN       ALA  25  -6.954   0.000  -1.712
  190    HA   ALA  25           HA       ALA  25  -6.491  -0.365  -4.654
  191   1HB   ALA  25          HB1       ALA  25  -8.137   1.583  -3.069
  192   2HB   ALA  25          HB2       ALA  25  -8.546   0.739  -4.563
  193   3HB   ALA  25          HB3       ALA  25  -7.435   2.109  -4.599
  194    H    GLY  26           HN       GLY  26  -4.224  -0.255  -4.602
  195   1HA   GLY  26          HA2       GLY  26  -2.955   2.270  -4.437
  196   2HA   GLY  26          HA1       GLY  26  -2.707   1.458  -2.891
  197    H    LYS  27           HN       LYS  27  -0.459   1.948  -4.310
  198    HA   LYS  27           HA       LYS  27   0.324  -0.781  -5.252
  199   1HB   LYS  27          HB2       LYS  27   1.066   1.844  -6.585
  200   2HB   LYS  27          HB1       LYS  27   1.428   0.221  -7.175
  201   1HG   LYS  27          HG2       LYS  27  -1.038  -0.217  -7.309
  202   2HG   LYS  27          HG1       LYS  27  -1.318   1.473  -6.886
  203   1HD   LYS  27          HD2       LYS  27   0.461   0.732  -9.205
  204   2HD   LYS  27          HD1       LYS  27  -1.288   0.849  -9.402
  205   1HE   LYS  27          HE2       LYS  27   0.500   3.065  -8.333
  206   2HE   LYS  27          HE1       LYS  27  -0.215   3.009  -9.957
  207   1HZ   LYS  27          HZ1       LYS  27  -2.345   2.488  -8.449
  208   2HZ   LYS  27          HZ2       LYS  27  -1.918   4.056  -8.942
  209   3HZ   LYS  27          HZ3       LYS  27  -1.492   3.504  -7.392
  210    H    CYS  28           HN       CYS  28   2.948  -0.546  -5.609
  211    HA   CYS  28           HA       CYS  28   3.996   0.989  -3.265
  212   1HB   CYS  28          HB2       CYS  28   3.584  -1.713  -3.311
  213   2HB   CYS  28          HB1       CYS  28   5.254  -1.617  -3.871
  214    H    MET  29           HN       MET  29   5.848   2.125  -3.718
  215    HA   MET  29           HA       MET  29   7.499   1.342  -6.075
  216   1HB   MET  29          HB2       MET  29   5.550   3.391  -6.016
  217   2HB   MET  29          HB1       MET  29   7.112   4.207  -5.943
  218   1HG   MET  29          HG2       MET  29   7.829   2.710  -7.886
  219   2HG   MET  29          HG1       MET  29   6.130   2.266  -8.045
  220   1HE   MET  29          HE1       MET  29   8.077   3.820 -10.289
  221   2HE   MET  29          HE2       MET  29   6.712   4.654 -11.027
  222   3HE   MET  29          HE3       MET  29   6.521   2.997 -10.460
  223    H    ASN  30           HN       ASN  30   9.686   1.971  -5.847
  224    HA   ASN  30           HA       ASN  30  11.642   2.613  -4.692
  225   1HB   ASN  30          HB2       ASN  30   9.624   4.610  -3.621
  226   2HB   ASN  30          HB1       ASN  30  11.371   4.762  -3.439
  227   1HD2  ASN  30          HD21      ASN  30  10.009   6.770  -4.855
  228   2HD2  ASN  30          HD22      ASN  30  10.385   6.656  -6.507
  229    H    GLY  31           HN       GLY  31   9.338   0.875  -3.329
  230   1HA   GLY  31          HA2       GLY  31   9.597  -0.520  -1.403
  231   2HA   GLY  31          HA1       GLY  31  10.834   0.584  -0.804
  232    H    LYS  32           HN       LYS  32   7.659   1.655  -1.906
  233    HA   LYS  32           HA       LYS  32   6.809   2.054   0.930
  234   1HB   LYS  32          HB2       LYS  32   7.276   4.111  -1.230
  235   2HB   LYS  32          HB1       LYS  32   6.131   4.427   0.073
  236   1HG   LYS  32          HG2       LYS  32   7.775   4.705   1.615
  237   2HG   LYS  32          HG1       LYS  32   8.722   3.357   0.981
  238   1HD   LYS  32          HD2       LYS  32  10.072   4.781  -0.116
  239   2HD   LYS  32          HD1       LYS  32   8.687   5.467  -0.968
  240   1HE   LYS  32          HE2       LYS  32   8.978   6.314   1.865
  241   2HE   LYS  32          HE1       LYS  32  10.212   6.922   0.743
  242   1HZ   LYS  32          HZ1       LYS  32   7.296   7.296   0.673
  243   2HZ   LYS  32          HZ2       LYS  32   8.157   7.275  -0.791
  244   3HZ   LYS  32          HZ3       LYS  32   8.529   8.428   0.401
  245    H    CYS  33           HN       CYS  33   4.536   1.962   1.167
  246    HA   CYS  33           HA       CYS  33   3.052   1.020  -1.226
  247   1HB   CYS  33          HB2       CYS  33   3.136  -0.091   1.089
  248   2HB   CYS  33          HB1       CYS  33   2.104   1.228   1.636
  249    H    LYS  34           HN       LYS  34   1.150   2.047  -1.980
  250    HA   LYS  34           HA       LYS  34   0.509   4.718  -0.779
  251   1HB   LYS  34          HB2       LYS  34   0.918   3.927  -3.680
  252   2HB   LYS  34          HB1       LYS  34   0.261   5.483  -3.173
  253   1HG   LYS  34          HG2       LYS  34   2.388   6.217  -3.033
  254   2HG   LYS  34          HG1       LYS  34   2.565   5.172  -1.622
  255   1HD   LYS  34          HD2       LYS  34   4.332   4.605  -3.166
  256   2HD   LYS  34          HD1       LYS  34   3.158   3.290  -3.202
  257   1HE   LYS  34          HE2       LYS  34   3.336   3.619  -5.481
  258   2HE   LYS  34          HE1       LYS  34   2.132   4.881  -5.154
  259   1HZ   LYS  34          HZ1       LYS  34   5.078   5.267  -5.069
  260   2HZ   LYS  34          HZ2       LYS  34   3.902   6.466  -4.809
  261   3HZ   LYS  34          HZ3       LYS  34   4.074   5.759  -6.344
  262    H    CYS  35           HN       CYS  35  -1.487   4.065   0.131
  263    HA   CYS  35           HA       CYS  35  -3.435   2.662  -1.647
  264   1HB   CYS  35          HB2       CYS  35  -3.732   3.337   1.288
  265   2HB   CYS  35          HB1       CYS  35  -4.517   2.044   0.385
  266    H    TYR  36           HN       TYR  36  -5.804   3.493  -1.213
  267    HA   TYR  36           HA       TYR  36  -5.881   6.463  -0.898
  268   1HB   TYR  36          HB2       TYR  36  -6.638   4.774  -3.277
  269   2HB   TYR  36          HB1       TYR  36  -7.433   6.324  -3.001
  270    HD1  TYR  36           HD1      TYR  36  -4.907   4.899  -4.818
  271    HD2  TYR  36           HD2      TYR  36  -5.540   8.179  -2.119
  272    HE1  TYR  36           HE1      TYR  36  -2.953   6.075  -5.790
  273    HE2  TYR  36           HE2      TYR  36  -3.585   9.356  -3.091
  274    HH   TYR  36           HH       TYR  36  -2.097   8.351  -5.999
  275    HA   PRO  37           HA       PRO  37  -9.629   5.764   1.292
  276   1HB   PRO  37          HB2       PRO  37 -11.135   7.791  -0.086
  277   2HB   PRO  37          HB1       PRO  37 -10.346   7.905   1.490
  278   1HG   PRO  37          HG2       PRO  37  -9.555   9.159  -0.965
  279   2HG   PRO  37          HG1       PRO  37  -8.759   9.259   0.609
  280   1HD   PRO  37          HD2       PRO  37  -7.860   7.852  -1.748
  281   2HD   PRO  37          HD1       PRO  37  -7.054   7.959  -0.164
  Start of MODEL    4
    1   1H    VAL   1          HT1       VAL   1  -2.277   9.041   2.968
    2   2H    VAL   1          HT2       VAL   1  -2.772   9.152   4.589
    3   3H    VAL   1          HT3       VAL   1  -3.928   9.139   3.345
    4    HA   VAL   1           HA       VAL   1  -3.173   6.959   4.762
    5    HB   VAL   1           HB       VAL   1  -4.398   5.808   2.896
    6   1HG1  VAL   1          HG11      VAL   1  -5.297   7.794   4.630
    7   2HG1  VAL   1          HG12      VAL   1  -6.315   6.675   3.723
    8   3HG1  VAL   1          HG13      VAL   1  -5.959   8.273   3.066
    9   1HG2  VAL   1          HG21      VAL   1  -3.589   6.833   0.929
   10   2HG2  VAL   1          HG22      VAL   1  -3.825   8.458   1.573
   11   3HG2  VAL   1          HG23      VAL   1  -5.218   7.490   1.088
   12    H    PHE   2           HN       PHE   2  -0.625   7.914   4.058
   13    HA   PHE   2           HA       PHE   2   0.356   5.795   2.169
   14   1HB   PHE   2          HB2       PHE   2   0.819   8.697   2.448
   15   2HB   PHE   2          HB1       PHE   2   2.289   7.747   2.231
   16    HD1  PHE   2           HD1      PHE   2  -1.164   7.161   0.913
   17    HD2  PHE   2           HD2      PHE   2   2.934   8.064  -0.010
   18    HE1  PHE   2           HE1      PHE   2  -1.660   6.942  -1.508
   19    HE2  PHE   2           HE2      PHE   2   2.437   7.846  -2.428
   20    HZ   PHE   2           HZ       PHE   2   0.141   7.285  -3.179
   21    H    ILE   3           HN       ILE   3   2.167   4.602   2.860
   22    HA   ILE   3           HA       ILE   3   3.429   5.324   5.462
   23    HB   ILE   3           HB       ILE   3   2.980   3.040   6.291
   24   1HG1  ILE   3          HG12      ILE   3   1.377   2.741   3.730
   25   2HG1  ILE   3          HG11      ILE   3   2.919   1.949   4.056
   26   1HG2  ILE   3          HG21      ILE   3   1.307   5.020   6.487
   27   2HG2  ILE   3          HG22      ILE   3   0.721   3.399   6.857
   28   3HG2  ILE   3          HG23      ILE   3   0.353   4.136   5.297
   29   1HD1  ILE   3          HD11      ILE   3   1.457   0.278   4.722
   30   2HD1  ILE   3          HD12      ILE   3   0.230   1.425   5.261
   31   3HD1  ILE   3          HD13      ILE   3   1.664   1.140   6.247
   32    H    ASN   4           HN       ASN   4   5.411   3.954   5.838
   33    HA   ASN   4           HA       ASN   4   6.608   3.069   3.231
   34   1HB   ASN   4          HB2       ASN   4   8.737   3.871   4.223
   35   2HB   ASN   4          HB1       ASN   4   7.531   5.158   4.168
   36   1HD2  ASN   4          HD21      ASN   4   9.176   5.900   6.008
   37   2HD2  ASN   4          HD22      ASN   4   8.754   5.436   7.585
   38    H    ALA   5           HN       ALA   5   5.479   0.950   4.100
   39    HA   ALA   5           HA       ALA   5   6.811  -0.402   6.329
   40   1HB   ALA   5          HB1       ALA   5   5.221  -2.110   5.866
   41   2HB   ALA   5          HB2       ALA   5   5.078  -1.626   4.176
   42   3HB   ALA   5          HB3       ALA   5   4.389  -0.613   5.445
   43    H    LYS   6           HN       LYS   6   7.961   0.376   3.375
   44    HA   LYS   6           HA       LYS   6   9.784  -0.461   2.120
   45   1HB   LYS   6          HB2       LYS   6   9.930  -1.532   4.778
   46   2HB   LYS   6          HB1       LYS   6  10.421  -2.791   3.644
   47   1HG   LYS   6          HG2       LYS   6  11.620  -0.425   2.701
   48   2HG   LYS   6          HG1       LYS   6  11.857  -0.411   4.450
   49   1HD   LYS   6          HD2       LYS   6  13.016  -2.460   4.433
   50   2HD   LYS   6          HD1       LYS   6  12.393  -2.902   2.842
   51   1HE   LYS   6          HE2       LYS   6  14.542  -2.210   2.260
   52   2HE   LYS   6          HE1       LYS   6  13.682  -0.663   2.129
   53   1HZ   LYS   6          HZ1       LYS   6  15.398  -0.150   3.571
   54   2HZ   LYS   6          HZ2       LYS   6  15.359  -1.665   4.338
   55   3HZ   LYS   6          HZ3       LYS   6  14.140  -0.523   4.647
   56    H    CYS   7           HN       CYS   7   7.295  -1.175   1.178
   57    HA   CYS   7           HA       CYS   7   6.900  -4.033   0.926
   58   1HB   CYS   7          HB2       CYS   7   5.265  -3.283  -0.797
   59   2HB   CYS   7          HB1       CYS   7   5.124  -2.347   0.692
   60    H    ARG   8           HN       ARG   8   7.004  -5.130  -1.273
   61    HA   ARG   8           HA       ARG   8   9.335  -4.131  -2.879
   62   1HB   ARG   8          HB2       ARG   8   8.617  -6.920  -1.925
   63   2HB   ARG   8          HB1       ARG   8   9.898  -6.587  -3.091
   64   1HG   ARG   8          HG2       ARG   8  11.269  -6.315  -1.319
   65   2HG   ARG   8          HG1       ARG   8  10.414  -4.802  -1.018
   66   1HD   ARG   8          HD2       ARG   8   8.734  -6.110   0.349
   67   2HD   ARG   8          HD1       ARG   8   9.801  -7.519   0.189
   68    HE   ARG   8           HE       ARG   8  11.196  -5.110   1.082
   69   1HH1  ARG   8          HH21      ARG   8   8.790  -6.014   2.896
   70   2HH1  ARG   8          HH22      ARG   8   9.662  -6.904   4.099
   71   1HH2  ARG   8          HH11      ARG   8  12.585  -7.068   2.244
   72   2HH2  ARG   8          HH12      ARG   8  11.809  -7.501   3.731
   73    H    GLY   9           HN       GLY   9   6.068  -5.093  -2.892
   74   1HA   GLY   9          HA2       GLY   9   6.059  -5.057  -5.840
   75   2HA   GLY   9          HA1       GLY   9   5.487  -6.549  -5.094
   76    H    SER  10           HN       SER  10   3.719  -5.206  -6.634
   77    HA   SER  10           HA       SER  10   2.122  -3.218  -5.328
   78   1HB   SER  10          HB2       SER  10   0.544  -4.775  -7.096
   79   2HB   SER  10          HB1       SER  10   1.355  -3.252  -7.444
   80    HG   SER  10           HG       SER  10   2.187  -4.717  -8.856
   81    HA   PRO  11           HA       PRO  11  -0.751  -6.980  -4.185
   82   1HB   PRO  11          HB2       PRO  11   0.978  -9.258  -3.869
   83   2HB   PRO  11          HB1       PRO  11  -0.365  -9.055  -4.997
   84   1HG   PRO  11          HG2       PRO  11   2.431  -9.091  -5.601
   85   2HG   PRO  11          HG1       PRO  11   1.086  -8.845  -6.719
   86   1HD   PRO  11          HD2       PRO  11   3.004  -6.904  -5.780
   87   2HD   PRO  11          HD1       PRO  11   1.677  -6.654  -6.940
   88    H    GLU  12           HN       GLU  12   2.362  -6.140  -3.023
   89    HA   GLU  12           HA       GLU  12   2.015  -7.304  -0.340
   90   1HB   GLU  12          HB2       GLU  12   4.077  -6.129  -1.979
   91   2HB   GLU  12          HB1       GLU  12   4.036  -5.307  -0.418
   92   1HG   GLU  12          HG2       GLU  12   4.803  -7.130   0.691
   93   2HG   GLU  12          HG1       GLU  12   3.765  -8.228  -0.218
   94    H    CYS  13           HN       CYS  13   2.021  -4.035  -1.791
   95    HA   CYS  13           HA       CYS  13   1.318  -2.649   0.637
   96   1HB   CYS  13          HB2       CYS  13   2.382  -1.638  -1.359
   97   2HB   CYS  13          HB1       CYS  13   0.919  -1.951  -2.293
   98    H    LEU  14           HN       LEU  14  -0.529  -4.421  -1.757
   99    HA   LEU  14           HA       LEU  14  -3.095  -3.268  -1.444
  100   1HB   LEU  14          HB2       LEU  14  -1.871  -5.679  -2.472
  101   2HB   LEU  14          HB1       LEU  14  -3.386  -6.075  -1.661
  102    HG   LEU  14           HG       LEU  14  -3.998  -3.769  -3.087
  103   1HD1  LEU  14          HD11      LEU  14  -2.850  -5.467  -5.206
  104   2HD1  LEU  14          HD12      LEU  14  -1.648  -4.645  -4.211
  105   3HD1  LEU  14          HD13      LEU  14  -2.875  -3.709  -5.063
  106   1HD2  LEU  14          HD21      LEU  14  -4.705  -6.559  -3.007
  107   2HD2  LEU  14          HD22      LEU  14  -4.680  -6.016  -4.684
  108   3HD2  LEU  14          HD23      LEU  14  -5.697  -5.189  -3.505
  109    HA   PRO  15           HA       PRO  15  -3.868  -6.369   2.221
  110   1HB   PRO  15          HB2       PRO  15  -1.278  -7.147   3.202
  111   2HB   PRO  15          HB1       PRO  15  -2.536  -8.186   2.528
  112   1HG   PRO  15          HG2       PRO  15  -0.037  -7.399   1.319
  113   2HG   PRO  15          HG1       PRO  15  -1.259  -8.505   0.686
  114   1HD   PRO  15          HD2       PRO  15  -0.649  -5.880  -0.269
  115   2HD   PRO  15          HD1       PRO  15  -1.973  -6.942  -0.802
  116    H    LYS  16           HN       LYS  16  -0.739  -4.634   2.265
  117    HA   LYS  16           HA       LYS  16  -0.811  -3.659   4.928
  118   1HB   LYS  16          HB2       LYS  16   0.339  -2.737   2.300
  119   2HB   LYS  16          HB1       LYS  16   0.541  -1.746   3.745
  120   1HG   LYS  16          HG2       LYS  16   1.161  -4.668   3.933
  121   2HG   LYS  16          HG1       LYS  16   2.322  -3.616   3.123
  122   1HD   LYS  16          HD2       LYS  16   2.539  -2.222   5.078
  123   2HD   LYS  16          HD1       LYS  16   1.202  -3.049   5.880
  124   1HE   LYS  16          HE2       LYS  16   3.528  -3.788   6.630
  125   2HE   LYS  16          HE1       LYS  16   2.489  -5.103   6.044
  126   1HZ   LYS  16          HZ1       LYS  16   3.624  -5.274   4.101
  127   2HZ   LYS  16          HZ2       LYS  16   4.902  -4.708   5.067
  128   3HZ   LYS  16          HZ3       LYS  16   4.051  -3.634   4.061
  129    H    CYS  17           HN       CYS  17  -2.248  -2.344   1.946
  130    HA   CYS  17           HA       CYS  17  -3.245   0.093   3.131
  131   1HB   CYS  17          HB2       CYS  17  -3.840  -1.553   0.665
  132   2HB   CYS  17          HB1       CYS  17  -4.721  -0.064   1.008
  133    H    LYS  18           HN       LYS  18  -4.710  -3.104   2.498
  134    HA   LYS  18           HA       LYS  18  -7.366  -2.605   3.268
  135   1HB   LYS  18          HB2       LYS  18  -6.632  -4.709   2.327
  136   2HB   LYS  18          HB1       LYS  18  -5.534  -4.987   3.679
  137   1HG   LYS  18          HG2       LYS  18  -7.196  -6.085   4.725
  138   2HG   LYS  18          HG1       LYS  18  -8.071  -4.557   4.832
  139   1HD   LYS  18          HD2       LYS  18  -9.638  -5.505   3.513
  140   2HD   LYS  18          HD1       LYS  18  -8.471  -5.367   2.197
  141   1HE   LYS  18          HE2       LYS  18  -7.559  -7.613   2.802
  142   2HE   LYS  18          HE1       LYS  18  -8.822  -7.758   4.042
  143   1HZ   LYS  18          HZ1       LYS  18  -9.591  -6.967   1.321
  144   2HZ   LYS  18          HZ2       LYS  18 -10.484  -7.819   2.490
  145   3HZ   LYS  18          HZ3       LYS  18  -9.255  -8.604   1.617
  146    H    GLU  19           HN       GLU  19  -4.503  -3.163   5.290
  147    HA   GLU  19           HA       GLU  19  -6.121  -3.008   7.770
  148   1HB   GLU  19          HB2       GLU  19  -3.683  -4.192   6.888
  149   2HB   GLU  19          HB1       GLU  19  -3.274  -3.051   8.169
  150   1HG   GLU  19          HG2       GLU  19  -4.136  -4.413   9.741
  151   2HG   GLU  19          HG1       GLU  19  -5.664  -4.527   8.866
  152    H    ALA  20           HN       ALA  20  -4.420  -0.903   5.676
  153    HA   ALA  20           HA       ALA  20  -3.566   1.028   7.708
  154   1HB   ALA  20          HB1       ALA  20  -3.076   0.430   4.995
  155   2HB   ALA  20          HB2       ALA  20  -2.344   1.728   5.939
  156   3HB   ALA  20          HB3       ALA  20  -3.805   2.036   5.000
  157    H    ILE  21           HN       ILE  21  -5.854   1.345   4.961
  158    HA   ILE  21           HA       ILE  21  -7.434   3.271   6.627
  159    HB   ILE  21           HB       ILE  21  -8.076   4.240   4.503
  160   1HG1  ILE  21          HG12      ILE  21  -6.707   1.817   3.289
  161   2HG1  ILE  21          HG11      ILE  21  -8.434   2.175   3.245
  162   1HG2  ILE  21          HG21      ILE  21  -5.154   3.487   4.691
  163   2HG2  ILE  21          HG22      ILE  21  -5.917   5.004   5.165
  164   3HG2  ILE  21          HG23      ILE  21  -5.760   4.591   3.457
  165   1HD1  ILE  21          HD11      ILE  21  -7.992   4.221   1.952
  166   2HD1  ILE  21          HD12      ILE  21  -7.331   2.812   1.123
  167   3HD1  ILE  21          HD13      ILE  21  -6.260   3.895   2.012
  168    H    GLY  22           HN       GLY  22  -7.635   0.383   4.589
  169   1HA   GLY  22          HA2       GLY  22  -9.357  -1.296   5.305
  170   2HA   GLY  22          HA1       GLY  22 -10.473   0.059   5.484
  171    H    LYS  23           HN       LYS  23  -8.195  -0.158   2.821
  172    HA   LYS  23           HA       LYS  23 -10.389  -0.987   0.973
  173   1HB   LYS  23          HB2       LYS  23  -8.830   1.590   1.060
  174   2HB   LYS  23          HB1       LYS  23  -9.476   0.999  -0.472
  175   1HG   LYS  23          HG2       LYS  23 -11.238   1.179   1.966
  176   2HG   LYS  23          HG1       LYS  23 -10.959   2.595   0.951
  177   1HD   LYS  23          HD2       LYS  23 -11.598   1.059  -1.031
  178   2HD   LYS  23          HD1       LYS  23 -12.260  -0.020   0.199
  179   1HE   LYS  23          HE2       LYS  23 -13.007   2.914   0.064
  180   2HE   LYS  23          HE1       LYS  23 -13.926   1.652  -0.779
  181   1HZ   LYS  23          HZ1       LYS  23 -13.964   0.436   1.394
  182   2HZ   LYS  23          HZ2       LYS  23 -14.883   1.865   1.364
  183   3HZ   LYS  23          HZ3       LYS  23 -13.365   1.843   2.129
  184    H    ALA  24           HN       ALA  24  -9.496  -2.737  -0.056
  185    HA   ALA  24           HA       ALA  24  -6.655  -3.199  -0.288
  186   1HB   ALA  24          HB1       ALA  24  -7.758  -5.190  -0.412
  187   2HB   ALA  24          HB2       ALA  24  -7.890  -4.827  -2.133
  188   3HB   ALA  24          HB3       ALA  24  -9.223  -4.439  -1.044
  189    H    ALA  25           HN       ALA  25  -6.590  -0.778  -1.300
  190    HA   ALA  25           HA       ALA  25  -6.265  -1.183  -4.238
  191   1HB   ALA  25          HB1       ALA  25  -8.323  -0.121  -4.301
  192   2HB   ALA  25          HB2       ALA  25  -7.277   1.296  -4.236
  193   3HB   ALA  25          HB3       ALA  25  -8.056   0.707  -2.767
  194    H    GLY  26           HN       GLY  26  -4.009  -0.965  -4.197
  195   1HA   GLY  26          HA2       GLY  26  -2.892   1.665  -3.935
  196   2HA   GLY  26          HA1       GLY  26  -2.494   0.708  -2.508
  197    H    LYS  27           HN       LYS  27  -0.277   1.287  -3.686
  198    HA   LYS  27           HA       LYS  27   0.495  -1.186  -5.159
  199   1HB   LYS  27          HB2       LYS  27   0.792   1.684  -6.075
  200   2HB   LYS  27          HB1       LYS  27   1.751   0.373  -6.762
  201   1HG   LYS  27          HG2       LYS  27   0.029   0.027  -8.182
  202   2HG   LYS  27          HG1       LYS  27  -0.848  -0.625  -6.798
  203   1HD   LYS  27          HD2       LYS  27  -2.333   1.049  -7.052
  204   2HD   LYS  27          HD1       LYS  27  -1.063   2.164  -6.546
  205   1HE   LYS  27          HE2       LYS  27  -0.617   1.472  -9.301
  206   2HE   LYS  27          HE1       LYS  27  -2.295   2.016  -9.104
  207   1HZ   LYS  27          HZ1       LYS  27  -1.603   3.982  -8.052
  208   2HZ   LYS  27          HZ2       LYS  27  -0.568   3.825  -9.392
  209   3HZ   LYS  27          HZ3       LYS  27  -0.017   3.422  -7.837
  210    H    CYS  28           HN       CYS  28   3.107  -0.668  -5.653
  211    HA   CYS  28           HA       CYS  28   4.236   0.245  -3.027
  212   1HB   CYS  28          HB2       CYS  28   4.144  -2.199  -3.170
  213   2HB   CYS  28          HB1       CYS  28   4.947  -2.160  -4.740
  214    H    MET  29           HN       MET  29   5.383   2.082  -3.538
  215    HA   MET  29           HA       MET  29   7.228   1.951  -5.899
  216   1HB   MET  29          HB2       MET  29   5.001   3.292  -6.091
  217   2HB   MET  29          HB1       MET  29   5.791   4.452  -5.023
  218   1HG   MET  29          HG2       MET  29   6.803   5.328  -6.833
  219   2HG   MET  29          HG1       MET  29   7.706   3.820  -6.988
  220   1HE   MET  29          HE1       MET  29   7.943   2.770  -8.684
  221   2HE   MET  29          HE2       MET  29   6.990   2.629 -10.159
  222   3HE   MET  29          HE3       MET  29   6.595   1.627  -8.766
  223    H    ASN  30           HN       ASN  30   9.210   3.110  -5.601
  224    HA   ASN  30           HA       ASN  30  11.043   3.858  -4.303
  225   1HB   ASN  30          HB2       ASN  30   8.665   5.314  -3.104
  226   2HB   ASN  30          HB1       ASN  30  10.343   5.738  -2.766
  227   1HD2  ASN  30          HD21      ASN  30  11.276   7.222  -4.187
  228   2HD2  ASN  30          HD22      ASN  30  10.678   7.592  -5.731
  229    H    GLY  31           HN       GLY  31   9.431   1.442  -3.354
  230   1HA   GLY  31          HA2       GLY  31   9.620  -0.041  -1.538
  231   2HA   GLY  31          HA1       GLY  31  10.823   1.054  -0.854
  232    H    LYS  32           HN       LYS  32   7.448   1.790  -1.692
  233    HA   LYS  32           HA       LYS  32   6.817   2.059   1.214
  234   1HB   LYS  32          HB2       LYS  32   6.975   4.150  -0.914
  235   2HB   LYS  32          HB1       LYS  32   5.678   4.297   0.274
  236   1HG   LYS  32          HG2       LYS  32   7.195   4.432   2.086
  237   2HG   LYS  32          HG1       LYS  32   8.534   3.810   1.121
  238   1HD   LYS  32          HD2       LYS  32   8.849   6.194   1.361
  239   2HD   LYS  32          HD1       LYS  32   8.366   5.881  -0.306
  240   1HE   LYS  32          HE2       LYS  32   6.947   7.664   0.277
  241   2HE   LYS  32          HE1       LYS  32   5.924   6.262   0.654
  242   1HZ   LYS  32          HZ1       LYS  32   7.768   7.561   2.588
  243   2HZ   LYS  32          HZ2       LYS  32   6.669   6.307   2.916
  244   3HZ   LYS  32          HZ3       LYS  32   6.100   7.859   2.520
  245    H    CYS  33           HN       CYS  33   4.468   2.153   1.597
  246    HA   CYS  33           HA       CYS  33   2.946   0.706  -0.522
  247   1HB   CYS  33          HB2       CYS  33   3.205  -0.261   1.749
  248   2HB   CYS  33          HB1       CYS  33   2.432   1.165   2.434
  249    H    LYS  34           HN       LYS  34   1.701   2.033  -1.791
  250    HA   LYS  34           HA       LYS  34   0.605   4.552  -0.614
  251   1HB   LYS  34          HB2       LYS  34   0.836   3.530  -3.467
  252   2HB   LYS  34          HB1       LYS  34   0.294   5.144  -3.002
  253   1HG   LYS  34          HG2       LYS  34   2.451   5.795  -3.053
  254   2HG   LYS  34          HG1       LYS  34   2.725   4.770  -1.643
  255   1HD   LYS  34          HD2       LYS  34   4.298   4.130  -3.381
  256   2HD   LYS  34          HD1       LYS  34   3.112   2.838  -3.193
  257   1HE   LYS  34          HE2       LYS  34   3.209   3.124  -5.539
  258   2HE   LYS  34          HE1       LYS  34   1.809   4.117  -5.087
  259   1HZ   LYS  34          HZ1       LYS  34   4.063   5.011  -6.362
  260   2HZ   LYS  34          HZ2       LYS  34   4.280   5.518  -4.755
  261   3HZ   LYS  34          HZ3       LYS  34   2.889   5.979  -5.614
  262    H    CYS  35           HN       CYS  35  -1.526   4.514   0.003
  263    HA   CYS  35           HA       CYS  35  -3.269   2.337  -1.077
  264   1HB   CYS  35          HB2       CYS  35  -3.501   4.109   1.375
  265   2HB   CYS  35          HB1       CYS  35  -4.550   2.744   0.991
  266    H    TYR  36           HN       TYR  36  -5.333   2.848  -1.899
  267    HA   TYR  36           HA       TYR  36  -5.962   5.756  -2.271
  268   1HB   TYR  36          HB2       TYR  36  -5.885   3.480  -4.271
  269   2HB   TYR  36          HB1       TYR  36  -6.717   4.999  -4.601
  270    HD1  TYR  36           HD1      TYR  36  -5.524   6.876  -5.377
  271    HD2  TYR  36           HD2      TYR  36  -3.400   3.601  -3.583
  272    HE1  TYR  36           HE1      TYR  36  -3.369   7.918  -6.026
  273    HE2  TYR  36           HE2      TYR  36  -1.245   4.643  -4.231
  274    HH   TYR  36           HH       TYR  36  -0.867   7.737  -5.023
  275    HA   PRO  37           HA       PRO  37  -9.962   4.638  -0.784
  276   1HB   PRO  37          HB2       PRO  37 -11.301   6.430  -2.593
  277   2HB   PRO  37          HB1       PRO  37 -10.920   6.689  -0.889
  278   1HG   PRO  37          HG2       PRO  37  -9.703   7.932  -3.171
  279   2HG   PRO  37          HG1       PRO  37  -9.322   8.185  -1.466
  280   1HD   PRO  37          HD2       PRO  37  -7.741   6.806  -3.446
  281   2HD   PRO  37          HD1       PRO  37  -7.360   7.056  -1.725
  Start of MODEL    5
    1   1H    VAL   1          HT1       VAL   1  -2.820   8.965   0.578
    2   2H    VAL   1          HT2       VAL   1  -4.245   9.479   1.348
    3   3H    VAL   1          HT3       VAL   1  -4.177   7.948   0.615
    4    HA   VAL   1           HA       VAL   1  -2.844   8.841   3.108
    5    HB   VAL   1           HB       VAL   1  -4.829   6.736   2.219
    6   1HG1  VAL   1          HG11      VAL   1  -4.045   5.385   3.844
    7   2HG1  VAL   1          HG12      VAL   1  -4.530   6.613   5.013
    8   3HG1  VAL   1          HG13      VAL   1  -2.888   6.608   4.370
    9   1HG2  VAL   1          HG21      VAL   1  -6.110   7.849   4.147
   10   2HG2  VAL   1          HG22      VAL   1  -5.885   8.822   2.694
   11   3HG2  VAL   1          HG23      VAL   1  -4.868   9.101   4.107
   12    H    PHE   2           HN       PHE   2  -0.641   8.512   2.383
   13    HA   PHE   2           HA       PHE   2   0.043   5.737   1.492
   14   1HB   PHE   2          HB2       PHE   2   1.366   8.451   1.297
   15   2HB   PHE   2          HB1       PHE   2   2.232   6.966   0.913
   16    HD1  PHE   2           HD1      PHE   2   2.232   8.595  -1.296
   17    HD2  PHE   2           HD2      PHE   2  -1.082   6.265   0.136
   18    HE1  PHE   2           HE1      PHE   2   1.242   8.600  -3.570
   19    HE2  PHE   2           HE2      PHE   2  -2.067   6.269  -2.136
   20    HZ   PHE   2           HZ       PHE   2  -0.907   7.439  -3.991
   21    H    ILE   3           HN       ILE   3   1.934   4.723   2.504
   22    HA   ILE   3           HA       ILE   3   2.724   5.856   5.154
   23    HB   ILE   3           HB       ILE   3   2.467   3.392   5.948
   24   1HG1  ILE   3          HG12      ILE   3   0.677   3.391   3.495
   25   2HG1  ILE   3          HG11      ILE   3   2.148   2.438   3.687
   26   1HG2  ILE   3          HG21      ILE   3   0.892   5.565   6.200
   27   2HG2  ILE   3          HG22      ILE   3   0.456   3.994   6.874
   28   3HG2  ILE   3          HG23      ILE   3  -0.220   4.509   5.329
   29   1HD1  ILE   3          HD11      ILE   3   1.163   0.951   5.121
   30   2HD1  ILE   3          HD12      ILE   3  -0.306   1.484   4.302
   31   3HD1  ILE   3          HD13      ILE   3   0.140   2.184   5.858
   32    H    ASN   4           HN       ASN   4   4.791   5.046   5.898
   33    HA   ASN   4           HA       ASN   4   6.697   4.508   3.783
   34   1HB   ASN   4          HB2       ASN   4   8.282   4.557   5.631
   35   2HB   ASN   4          HB1       ASN   4   7.073   5.815   5.895
   36   1HD2  ASN   4          HD21      ASN   4   5.490   5.478   7.610
   37   2HD2  ASN   4          HD22      ASN   4   5.701   4.272   8.785
   38    H    ALA   5           HN       ALA   5   4.511   2.440   5.201
   39    HA   ALA   5           HA       ALA   5   5.743   0.126   6.045
   40   1HB   ALA   5          HB1       ALA   5   3.565  -0.431   5.830
   41   2HB   ALA   5          HB2       ALA   5   3.829  -0.648   4.099
   42   3HB   ALA   5          HB3       ALA   5   3.305   0.917   4.722
   43    H    LYS   6           HN       LYS   6   7.722  -0.516   5.180
   44    HA   LYS   6           HA       LYS   6   8.572  -0.303   2.488
   45   1HB   LYS   6          HB2       LYS   6   9.435  -1.392   4.973
   46   2HB   LYS   6          HB1       LYS   6   9.645  -2.649   3.753
   47   1HG   LYS   6          HG2       LYS   6  10.518  -0.308   2.493
   48   2HG   LYS   6          HG1       LYS   6  11.155  -0.190   4.133
   49   1HD   LYS   6          HD2       LYS   6  12.151  -2.423   3.934
   50   2HD   LYS   6          HD1       LYS   6  11.474  -2.596   2.314
   51   1HE   LYS   6          HE2       LYS   6  12.826  -0.163   2.182
   52   2HE   LYS   6          HE1       LYS   6  13.899  -1.191   3.151
   53   1HZ   LYS   6          HZ1       LYS   6  14.469  -1.958   1.109
   54   2HZ   LYS   6          HZ2       LYS   6  12.982  -1.540   0.402
   55   3HZ   LYS   6          HZ3       LYS   6  13.111  -2.946   1.348
   56    H    CYS   7           HN       CYS   7   7.088  -1.049   0.941
   57    HA   CYS   7           HA       CYS   7   5.645  -3.548   1.151
   58   1HB   CYS   7          HB2       CYS   7   5.216  -3.051  -1.291
   59   2HB   CYS   7          HB1       CYS   7   4.846  -1.706  -0.212
   60    H    ARG   8           HN       ARG   8   6.065  -4.807  -1.293
   61    HA   ARG   8           HA       ARG   8   8.937  -5.666  -1.169
   62   1HB   ARG   8          HB2       ARG   8   6.366  -7.145  -0.905
   63   2HB   ARG   8          HB1       ARG   8   7.645  -7.944  -1.820
   64   1HG   ARG   8          HG2       ARG   8   8.980  -6.928   0.393
   65   2HG   ARG   8          HG1       ARG   8   7.441  -7.476   1.059
   66   1HD   ARG   8          HD2       ARG   8   7.902  -9.687   0.641
   67   2HD   ARG   8          HD1       ARG   8   8.752  -9.325  -0.874
   68    HE   ARG   8           HE       ARG   8  10.744  -8.861   0.387
   69   1HH1  ARG   8          HH21      ARG   8   9.496  -7.440   2.707
   70   2HH1  ARG   8          HH22      ARG   8   9.741  -8.567   4.000
   71   1HH2  ARG   8          HH11      ARG   8  10.417 -11.240   1.898
   72   2HH2  ARG   8          HH12      ARG   8  10.264 -10.717   3.542
   73    H    GLY   9           HN       GLY   9   5.954  -5.533  -3.120
   74   1HA   GLY   9          HA2       GLY   9   7.550  -4.996  -5.525
   75   2HA   GLY   9          HA1       GLY   9   6.671  -6.525  -5.556
   76    H    SER  10           HN       SER  10   4.272  -5.993  -4.461
   77    HA   SER  10           HA       SER  10   2.979  -3.551  -4.999
   78   1HB   SER  10          HB2       SER  10   3.264  -3.438  -7.249
   79   2HB   SER  10          HB1       SER  10   3.746  -5.129  -7.352
   80    HG   SER  10           HG       SER  10   1.788  -4.870  -8.402
   81    HA   PRO  11           HA       PRO  11  -0.334  -7.098  -5.314
   82   1HB   PRO  11          HB2       PRO  11   1.055  -9.571  -4.830
   83   2HB   PRO  11          HB1       PRO  11   0.151  -9.092  -6.269
   84   1HG   PRO  11          HG2       PRO  11   2.998  -9.338  -5.975
   85   2HG   PRO  11          HG1       PRO  11   2.088  -8.875  -7.415
   86   1HD   PRO  11          HD2       PRO  11   3.731  -7.195  -5.764
   87   2HD   PRO  11          HD1       PRO  11   2.770  -6.719  -7.185
   88    H    GLU  12           HN       GLU  12   2.364  -6.822  -3.192
   89    HA   GLU  12           HA       GLU  12   0.987  -8.135  -0.916
   90   1HB   GLU  12          HB2       GLU  12   3.630  -6.651  -1.093
   91   2HB   GLU  12          HB1       GLU  12   3.120  -7.733   0.204
   92   1HG   GLU  12          HG2       GLU  12   2.813  -9.457  -1.774
   93   2HG   GLU  12          HG1       GLU  12   3.958  -8.397  -2.597
   94    H    CYS  13           HN       CYS  13   1.448  -4.975  -2.279
   95    HA   CYS  13           HA       CYS  13   1.071  -3.424   0.135
   96   1HB   CYS  13          HB2       CYS  13   1.511  -3.066  -2.686
   97   2HB   CYS  13          HB1       CYS  13   0.188  -2.018  -2.174
   98    H    LEU  14           HN       LEU  14  -1.137  -4.666  -2.378
   99    HA   LEU  14           HA       LEU  14  -3.498  -3.320  -1.721
  100   1HB   LEU  14          HB2       LEU  14  -2.650  -5.790  -3.009
  101   2HB   LEU  14          HB1       LEU  14  -4.213  -5.982  -2.217
  102    HG   LEU  14           HG       LEU  14  -4.842  -3.741  -3.341
  103   1HD1  LEU  14          HD11      LEU  14  -2.784  -2.912  -4.128
  104   2HD1  LEU  14          HD12      LEU  14  -3.534  -3.570  -5.583
  105   3HD1  LEU  14          HD13      LEU  14  -2.281  -4.485  -4.744
  106   1HD2  LEU  14          HD21      LEU  14  -4.773  -6.473  -4.347
  107   2HD2  LEU  14          HD22      LEU  14  -4.750  -5.304  -5.666
  108   3HD2  LEU  14          HD23      LEU  14  -6.055  -5.270  -4.480
  109    HA   PRO  15           HA       PRO  15  -4.420  -6.692   1.659
  110   1HB   PRO  15          HB2       PRO  15  -1.884  -7.820   2.422
  111   2HB   PRO  15          HB1       PRO  15  -3.273  -8.652   1.715
  112   1HG   PRO  15          HG2       PRO  15  -0.761  -8.027   0.463
  113   2HG   PRO  15          HG1       PRO  15  -2.140  -8.885  -0.230
  114   1HD   PRO  15          HD2       PRO  15  -1.228  -6.236  -0.865
  115   2HD   PRO  15          HD1       PRO  15  -2.653  -7.080  -1.514
  116    H    LYS  16           HN       LYS  16  -1.215  -5.134   1.653
  117    HA   LYS  16           HA       LYS  16  -1.088  -4.517   4.451
  118   1HB   LYS  16          HB2       LYS  16   0.100  -3.319   1.936
  119   2HB   LYS  16          HB1       LYS  16   0.543  -2.761   3.551
  120   1HG   LYS  16          HG2       LYS  16   0.657  -5.688   2.845
  121   2HG   LYS  16          HG1       LYS  16   2.004  -4.612   2.466
  122   1HD   LYS  16          HD2       LYS  16   1.719  -3.864   4.980
  123   2HD   LYS  16          HD1       LYS  16   0.934  -5.436   5.145
  124   1HE   LYS  16          HE2       LYS  16   2.932  -6.552   4.230
  125   2HE   LYS  16          HE1       LYS  16   3.726  -4.977   4.028
  126   1HZ   LYS  16          HZ1       LYS  16   4.154  -6.237   6.195
  127   2HZ   LYS  16          HZ2       LYS  16   2.570  -5.796   6.622
  128   3HZ   LYS  16          HZ3       LYS  16   3.734  -4.598   6.311
  129    H    CYS  17           HN       CYS  17  -2.030  -2.439   1.671
  130    HA   CYS  17           HA       CYS  17  -2.834  -0.162   3.135
  131   1HB   CYS  17          HB2       CYS  17  -3.851  -1.438   0.578
  132   2HB   CYS  17          HB1       CYS  17  -4.357   0.165   1.111
  133    H    LYS  18           HN       LYS  18  -4.636  -3.141   2.380
  134    HA   LYS  18           HA       LYS  18  -7.204  -2.401   3.318
  135   1HB   LYS  18          HB2       LYS  18  -6.621  -4.473   2.093
  136   2HB   LYS  18          HB1       LYS  18  -5.726  -5.050   3.499
  137   1HG   LYS  18          HG2       LYS  18  -7.716  -6.067   3.994
  138   2HG   LYS  18          HG1       LYS  18  -8.107  -4.483   4.665
  139   1HD   LYS  18          HD2       LYS  18  -9.711  -4.156   3.123
  140   2HD   LYS  18          HD1       LYS  18  -8.590  -4.519   1.811
  141   1HE   LYS  18          HE2       LYS  18  -9.221  -6.745   1.708
  142   2HE   LYS  18          HE1       LYS  18  -9.623  -6.815   3.436
  143   1HZ   LYS  18          HZ1       LYS  18 -11.137  -5.338   1.348
  144   2HZ   LYS  18          HZ2       LYS  18 -11.492  -5.321   3.009
  145   3HZ   LYS  18          HZ3       LYS  18 -11.642  -6.760   2.119
  146    H    GLU  19           HN       GLU  19  -4.440  -3.799   5.108
  147    HA   GLU  19           HA       GLU  19  -5.841  -3.709   7.673
  148   1HB   GLU  19          HB2       GLU  19  -2.891  -4.014   7.024
  149   2HB   GLU  19          HB1       GLU  19  -3.699  -4.520   8.507
  150   1HG   GLU  19          HG2       GLU  19  -4.542  -5.579   5.807
  151   2HG   GLU  19          HG1       GLU  19  -3.256  -6.344   6.741
  152    H    ALA  20           HN       ALA  20  -4.312  -1.384   5.731
  153    HA   ALA  20           HA       ALA  20  -3.531   0.307   8.067
  154   1HB   ALA  20          HB1       ALA  20  -1.770   0.204   6.533
  155   2HB   ALA  20          HB2       ALA  20  -2.601   1.666   6.001
  156   3HB   ALA  20          HB3       ALA  20  -2.856   0.145   5.144
  157    H    ILE  21           HN       ILE  21  -5.291   0.586   4.946
  158    HA   ILE  21           HA       ILE  21  -6.696   2.993   6.007
  159    HB   ILE  21           HB       ILE  21  -5.503   2.884   3.756
  160   1HG1  ILE  21          HG12      ILE  21  -8.483   3.453   3.658
  161   2HG1  ILE  21          HG11      ILE  21  -7.281   4.556   4.327
  162   1HG2  ILE  21          HG21      ILE  21  -6.844   0.506   3.488
  163   2HG2  ILE  21          HG22      ILE  21  -6.154   1.414   2.145
  164   3HG2  ILE  21          HG23      ILE  21  -7.862   1.591   2.544
  165   1HD1  ILE  21          HD11      ILE  21  -6.915   3.485   1.546
  166   2HD1  ILE  21          HD12      ILE  21  -6.322   4.992   2.243
  167   3HD1  ILE  21          HD13      ILE  21  -8.027   4.826   1.821
  168    H    GLY  22           HN       GLY  22  -7.247  -0.353   5.083
  169   1HA   GLY  22          HA2       GLY  22  -9.253  -1.356   6.263
  170   2HA   GLY  22          HA1       GLY  22 -10.154   0.038   5.669
  171    H    LYS  23           HN       LYS  23  -8.694  -0.035   3.058
  172    HA   LYS  23           HA       LYS  23  -9.900  -2.530   1.907
  173   1HB   LYS  23          HB2       LYS  23 -10.255   0.376   1.237
  174   2HB   LYS  23          HB1       LYS  23 -10.381  -0.818  -0.056
  175   1HG   LYS  23          HG2       LYS  23 -12.590  -0.702   0.694
  176   2HG   LYS  23          HG1       LYS  23 -11.968  -2.066   1.623
  177   1HD   LYS  23          HD2       LYS  23 -12.408  -0.981   3.542
  178   2HD   LYS  23          HD1       LYS  23 -11.362   0.348   3.042
  179   1HE   LYS  23          HE2       LYS  23 -13.202   1.433   1.870
  180   2HE   LYS  23          HE1       LYS  23 -14.265   0.048   2.190
  181   1HZ   LYS  23          HZ1       LYS  23 -13.788   0.389   4.594
  182   2HZ   LYS  23          HZ2       LYS  23 -14.661   1.662   3.883
  183   3HZ   LYS  23          HZ3       LYS  23 -13.000   1.838   4.195
  184    H    ALA  24           HN       ALA  24  -8.750  -3.393   0.120
  185    HA   ALA  24           HA       ALA  24  -5.926  -2.632  -0.063
  186   1HB   ALA  24          HB1       ALA  24  -7.735  -4.715  -1.298
  187   2HB   ALA  24          HB2       ALA  24  -6.447  -4.951  -0.119
  188   3HB   ALA  24          HB3       ALA  24  -6.050  -4.553  -1.791
  189    H    ALA  25           HN       ALA  25  -5.876  -0.556  -1.069
  190    HA   ALA  25           HA       ALA  25  -6.493  -0.590  -3.985
  191   1HB   ALA  25          HB1       ALA  25  -8.327   0.676  -3.597
  192   2HB   ALA  25          HB2       ALA  25  -7.249   1.950  -3.025
  193   3HB   ALA  25          HB3       ALA  25  -7.935   0.795  -1.882
  194    H    GLY  26           HN       GLY  26  -3.927  -0.794  -2.976
  195   1HA   GLY  26          HA2       GLY  26  -2.800   1.852  -3.720
  196   2HA   GLY  26          HA1       GLY  26  -2.284   1.134  -2.195
  197    H    LYS  27           HN       LYS  27  -0.216   1.481  -3.705
  198    HA   LYS  27           HA       LYS  27   0.387  -1.215  -4.843
  199   1HB   LYS  27          HB2       LYS  27   1.122   1.447  -6.102
  200   2HB   LYS  27          HB1       LYS  27   1.385  -0.155  -6.792
  201   1HG   LYS  27          HG2       LYS  27  -0.982  -0.529  -7.027
  202   2HG   LYS  27          HG1       LYS  27  -1.359   0.926  -6.103
  203   1HD   LYS  27          HD2       LYS  27   0.112   0.897  -8.755
  204   2HD   LYS  27          HD1       LYS  27  -1.597   1.283  -8.555
  205   1HE   LYS  27          HE2       LYS  27  -0.887   3.121  -6.941
  206   2HE   LYS  27          HE1       LYS  27   0.780   2.830  -7.478
  207   1HZ   LYS  27          HZ1       LYS  27  -0.446   2.884  -9.814
  208   2HZ   LYS  27          HZ2       LYS  27   0.173   4.287  -9.084
  209   3HZ   LYS  27          HZ3       LYS  27  -1.483   3.923  -8.964
  210    H    CYS  28           HN       CYS  28   2.938  -1.166  -5.342
  211    HA   CYS  28           HA       CYS  28   4.237  -0.069  -2.876
  212   1HB   CYS  28          HB2       CYS  28   4.381  -2.440  -2.971
  213   2HB   CYS  28          HB1       CYS  28   4.705  -2.434  -4.703
  214    H    MET  29           HN       MET  29   5.447   1.747  -3.274
  215    HA   MET  29           HA       MET  29   7.128   1.837  -5.733
  216   1HB   MET  29          HB2       MET  29   4.750   3.464  -5.063
  217   2HB   MET  29          HB1       MET  29   6.147   4.391  -5.610
  218   1HG   MET  29          HG2       MET  29   5.772   3.761  -7.735
  219   2HG   MET  29          HG1       MET  29   5.866   2.063  -7.270
  220   1HE   MET  29          HE1       MET  29   2.821   1.434  -9.071
  221   2HE   MET  29          HE2       MET  29   3.562   0.496  -7.777
  222   3HE   MET  29          HE3       MET  29   4.582   1.372  -8.914
  223    H    ASN  30           HN       ASN  30   8.944   3.277  -5.504
  224    HA   ASN  30           HA       ASN  30  10.695   4.263  -4.253
  225   1HB   ASN  30          HB2       ASN  30   8.401   5.409  -2.647
  226   2HB   ASN  30          HB1       ASN  30   9.939   6.177  -3.041
  227   1HD2  ASN  30          HD21      ASN  30   6.939   6.800  -3.740
  228   2HD2  ASN  30          HD22      ASN  30   6.995   7.101  -5.410
  229    H    GLY  31           HN       GLY  31   9.361   1.670  -3.243
  230   1HA   GLY  31          HA2       GLY  31   9.873   0.221  -1.453
  231   2HA   GLY  31          HA1       GLY  31  10.879   1.500  -0.768
  232    H    LYS  32           HN       LYS  32   7.630   2.322  -1.604
  233    HA   LYS  32           HA       LYS  32   6.791   2.068   1.265
  234   1HB   LYS  32          HB2       LYS  32   6.208   4.421  -0.548
  235   2HB   LYS  32          HB1       LYS  32   6.023   4.337   1.204
  236   1HG   LYS  32          HG2       LYS  32   8.426   4.206   1.509
  237   2HG   LYS  32          HG1       LYS  32   8.681   4.093  -0.233
  238   1HD   LYS  32          HD2       LYS  32   8.947   6.348  -0.125
  239   2HD   LYS  32          HD1       LYS  32   7.185   6.383  -0.049
  240   1HE   LYS  32          HE2       LYS  32   8.169   5.852   2.591
  241   2HE   LYS  32          HE1       LYS  32   9.024   7.268   1.947
  242   1HZ   LYS  32          HZ1       LYS  32   6.087   6.828   2.015
  243   2HZ   LYS  32          HZ2       LYS  32   6.832   8.094   1.162
  244   3HZ   LYS  32          HZ3       LYS  32   6.958   8.016   2.855
  245    H    CYS  33           HN       CYS  33   4.349   2.248   1.459
  246    HA   CYS  33           HA       CYS  33   3.071   0.893  -0.874
  247   1HB   CYS  33          HB2       CYS  33   3.158   0.101   1.640
  248   2HB   CYS  33          HB1       CYS  33   1.836   1.249   1.843
  249    H    LYS  34           HN       LYS  34   1.837   2.161  -2.177
  250    HA   LYS  34           HA       LYS  34   0.884   4.787  -1.157
  251   1HB   LYS  34          HB2       LYS  34   1.309   3.477  -3.836
  252   2HB   LYS  34          HB1       LYS  34   0.352   4.954  -3.707
  253   1HG   LYS  34          HG2       LYS  34   2.169   6.220  -2.931
  254   2HG   LYS  34          HG1       LYS  34   3.066   4.791  -2.416
  255   1HD   LYS  34          HD2       LYS  34   4.183   5.356  -4.384
  256   2HD   LYS  34          HD1       LYS  34   3.009   4.178  -4.971
  257   1HE   LYS  34          HE2       LYS  34   2.114   7.025  -4.878
  258   2HE   LYS  34          HE1       LYS  34   3.280   6.582  -6.141
  259   1HZ   LYS  34          HZ1       LYS  34   0.894   6.192  -6.740
  260   2HZ   LYS  34          HZ2       LYS  34   0.848   4.992  -5.538
  261   3HZ   LYS  34          HZ3       LYS  34   1.890   4.827  -6.871
  262    H    CYS  35           HN       CYS  35  -0.950   4.049   0.109
  263    HA   CYS  35           HA       CYS  35  -3.070   2.488  -1.232
  264   1HB   CYS  35          HB2       CYS  35  -3.111   3.863   1.467
  265   2HB   CYS  35          HB1       CYS  35  -4.051   2.462   0.959
  266    H    TYR  36           HN       TYR  36  -4.983   3.397  -2.024
  267    HA   TYR  36           HA       TYR  36  -5.045   6.334  -2.326
  268   1HB   TYR  36          HB2       TYR  36  -6.368   3.920  -3.488
  269   2HB   TYR  36          HB1       TYR  36  -7.233   5.452  -3.603
  270    HD1  TYR  36           HD1      TYR  36  -3.580   5.477  -3.451
  271    HD2  TYR  36           HD2      TYR  36  -6.979   5.433  -6.077
  272    HE1  TYR  36           HE1      TYR  36  -2.128   6.158  -5.341
  273    HE2  TYR  36           HE2      TYR  36  -5.526   6.115  -7.968
  274    HH   TYR  36           HH       TYR  36  -3.176   6.042  -8.598
  275    HA   PRO  37           HA       PRO  37  -7.871   7.131   0.958
  276   1HB   PRO  37          HB2       PRO  37  -9.353   9.058  -0.580
  277   2HB   PRO  37          HB1       PRO  37  -8.106   9.363   0.632
  278   1HG   PRO  37          HG2       PRO  37  -7.910   9.704  -2.207
  279   2HG   PRO  37          HG1       PRO  37  -6.660   9.985  -0.993
  280   1HD   PRO  37          HD2       PRO  37  -6.806   7.842  -2.926
  281   2HD   PRO  37          HD1       PRO  37  -5.537   8.138  -1.712
  Start of MODEL    6
    1   1H    VAL   1          HT1       VAL   1  -4.163   8.850  -0.303
    2   2H    VAL   1          HT2       VAL   1  -4.158   7.674   0.924
    3   3H    VAL   1          HT3       VAL   1  -3.312   7.399  -0.523
    4    HA   VAL   1           HA       VAL   1  -2.141   9.667   0.258
    5    HB   VAL   1           HB       VAL   1  -1.958   9.603   2.686
    6   1HG1  VAL   1          HG11      VAL   1  -4.546   9.764   1.309
    7   2HG1  VAL   1          HG12      VAL   1  -3.834  10.859   2.495
    8   3HG1  VAL   1          HG13      VAL   1  -4.696   9.417   3.031
    9   1HG2  VAL   1          HG21      VAL   1  -2.966   6.893   2.259
   10   2HG2  VAL   1          HG22      VAL   1  -3.853   7.735   3.530
   11   3HG2  VAL   1          HG23      VAL   1  -2.102   7.558   3.646
   12    H    PHE   2           HN       PHE   2  -0.141   8.836   1.996
   13    HA   PHE   2           HA       PHE   2   0.871   6.320   0.703
   14   1HB   PHE   2          HB2       PHE   2   2.179   8.949   1.428
   15   2HB   PHE   2          HB1       PHE   2   3.126   7.502   1.083
   16    HD1  PHE   2           HD1      PHE   2   0.304   9.514  -0.357
   17    HD2  PHE   2           HD2      PHE   2   3.749   7.064  -1.120
   18    HE1  PHE   2           HE1      PHE   2   0.067   9.938  -2.790
   19    HE2  PHE   2           HE2      PHE   2   3.513   7.488  -3.550
   20    HZ   PHE   2           HZ       PHE   2   1.671   8.925  -4.386
   21    H    ILE   3           HN       ILE   3   2.051   4.893   2.067
   22    HA   ILE   3           HA       ILE   3   2.133   5.604   4.978
   23    HB   ILE   3           HB       ILE   3   1.438   3.165   5.324
   24   1HG1  ILE   3          HG12      ILE   3   0.582   3.430   2.427
   25   2HG1  ILE   3          HG11      ILE   3   2.001   2.519   2.948
   26   1HG2  ILE   3          HG21      ILE   3  -0.972   3.664   4.820
   27   2HG2  ILE   3          HG22      ILE   3  -0.445   5.114   3.967
   28   3HG2  ILE   3          HG23      ILE   3  -0.153   4.956   5.699
   29   1HD1  ILE   3          HD11      ILE   3  -0.688   1.984   4.193
   30   2HD1  ILE   3          HD12      ILE   3   0.714   0.920   4.088
   31   3HD1  ILE   3          HD13      ILE   3  -0.257   1.243   2.651
   32    H    ASN   4           HN       ASN   4   4.044   4.996   5.971
   33    HA   ASN   4           HA       ASN   4   6.191   3.899   4.276
   34   1HB   ASN   4          HB2       ASN   4   7.527   4.440   6.336
   35   2HB   ASN   4          HB1       ASN   4   6.590   5.809   5.737
   36   1HD2  ASN   4          HD21      ASN   4   7.051   3.679   8.447
   37   2HD2  ASN   4          HD22      ASN   4   5.804   4.303   9.414
   38    H    ALA   5           HN       ALA   5   5.002   1.721   4.148
   39    HA   ALA   5           HA       ALA   5   5.467   0.084   6.617
   40   1HB   ALA   5          HB1       ALA   5   3.850  -1.444   5.142
   41   2HB   ALA   5          HB2       ALA   5   3.472   0.103   4.382
   42   3HB   ALA   5          HB3       ALA   5   3.207  -0.119   6.112
   43    H    LYS   6           HN       LYS   6   7.211   0.869   4.084
   44    HA   LYS   6           HA       LYS   6   8.795  -0.230   2.706
   45   1HB   LYS   6          HB2       LYS   6   8.720  -1.293   5.384
   46   2HB   LYS   6          HB1       LYS   6   9.163  -2.577   4.259
   47   1HG   LYS   6          HG2       LYS   6  10.478   0.154   4.365
   48   2HG   LYS   6          HG1       LYS   6  11.150  -1.314   5.077
   49   1HD   LYS   6          HD2       LYS   6  10.344  -1.665   2.279
   50   2HD   LYS   6          HD1       LYS   6  11.600  -0.444   2.488
   51   1HE   LYS   6          HE2       LYS   6  12.316  -2.604   4.184
   52   2HE   LYS   6          HE1       LYS   6  11.869  -3.311   2.618
   53   1HZ   LYS   6          HZ1       LYS   6  13.246  -1.635   1.525
   54   2HZ   LYS   6          HZ2       LYS   6  14.172  -2.589   2.583
   55   3HZ   LYS   6          HZ3       LYS   6  13.714  -1.016   3.032
   56    H    CYS   7           HN       CYS   7   6.457  -0.638   1.518
   57    HA   CYS   7           HA       CYS   7   5.321  -3.227   1.395
   58   1HB   CYS   7          HB2       CYS   7   4.662  -2.447  -0.921
   59   2HB   CYS   7          HB1       CYS   7   4.321  -1.281   0.357
   60    H    ARG   8           HN       ARG   8   5.790  -5.052   0.085
   61    HA   ARG   8           HA       ARG   8   8.606  -5.212  -0.878
   62   1HB   ARG   8          HB2       ARG   8   6.552  -7.003   0.259
   63   2HB   ARG   8          HB1       ARG   8   7.504  -7.726  -1.038
   64   1HG   ARG   8          HG2       ARG   8   8.645  -6.357   1.417
   65   2HG   ARG   8          HG1       ARG   8   8.559  -8.101   1.170
   66   1HD   ARG   8          HD2       ARG   8   9.914  -7.750  -0.965
   67   2HD   ARG   8          HD1       ARG   8  10.199  -6.092  -0.399
   68    HE   ARG   8           HE       ARG   8  11.457  -8.447   0.686
   69   1HH1  ARG   8          HH21      ARG   8   9.649  -7.473   2.924
   70   2HH1  ARG   8          HH22      ARG   8  10.706  -6.390   3.768
   71   1HH2  ARG   8          HH11      ARG   8  12.991  -6.169   1.172
   72   2HH2  ARG   8          HH12      ARG   8  12.595  -5.652   2.776
   73    H    GLY   9           HN       GLY   9   5.264  -5.422  -1.988
   74   1HA   GLY   9          HA2       GLY   9   6.190  -5.207  -4.775
   75   2HA   GLY   9          HA1       GLY   9   5.288  -6.674  -4.394
   76    H    SER  10           HN       SER  10   4.528  -4.400  -6.158
   77    HA   SER  10           HA       SER  10   2.634  -2.640  -5.074
   78   1HB   SER  10          HB2       SER  10   2.848  -2.220  -7.295
   79   2HB   SER  10          HB1       SER  10   3.276  -3.891  -7.649
   80    HG   SER  10           HG       SER  10   0.858  -2.611  -7.786
   81    HA   PRO  11           HA       PRO  11  -0.783  -6.034  -5.754
   82   1HB   PRO  11          HB2       PRO  11   0.555  -8.581  -5.634
   83   2HB   PRO  11          HB1       PRO  11  -0.374  -7.899  -6.974
   84   1HG   PRO  11          HG2       PRO  11   2.472  -8.246  -6.796
   85   2HG   PRO  11          HG1       PRO  11   1.540  -7.578  -8.138
   86   1HD   PRO  11          HD2       PRO  11   3.265  -6.169  -6.324
   87   2HD   PRO  11          HD1       PRO  11   2.290  -5.485  -7.647
   88    H    GLU  12           HN       GLU  12   2.125  -6.987  -3.910
   89    HA   GLU  12           HA       GLU  12   0.753  -8.193  -1.695
   90   1HB   GLU  12          HB2       GLU  12   3.451  -7.049  -2.307
   91   2HB   GLU  12          HB1       GLU  12   3.060  -7.374  -0.618
   92   1HG   GLU  12          HG2       GLU  12   2.654  -9.433  -2.796
   93   2HG   GLU  12          HG1       GLU  12   4.166  -9.292  -1.899
   94    H    CYS  13           HN       CYS  13   1.378  -4.874  -2.593
   95    HA   CYS  13           HA       CYS  13   1.039  -3.658  -0.001
   96   1HB   CYS  13          HB2       CYS  13   1.506  -2.940  -2.731
   97   2HB   CYS  13          HB1       CYS  13   0.159  -1.969  -2.139
   98    H    LEU  14           HN       LEU  14  -1.207  -4.710  -2.525
   99    HA   LEU  14           HA       LEU  14  -3.546  -3.338  -1.810
  100   1HB   LEU  14          HB2       LEU  14  -2.739  -5.795  -3.177
  101   2HB   LEU  14          HB1       LEU  14  -4.331  -5.934  -2.435
  102    HG   LEU  14           HG       LEU  14  -4.762  -3.589  -3.510
  103   1HD1  LEU  14          HD11      LEU  14  -3.167  -2.773  -4.877
  104   2HD1  LEU  14          HD12      LEU  14  -3.131  -4.279  -5.794
  105   3HD1  LEU  14          HD13      LEU  14  -2.113  -4.091  -4.366
  106   1HD2  LEU  14          HD21      LEU  14  -4.553  -5.677  -5.623
  107   2HD2  LEU  14          HD22      LEU  14  -5.939  -4.697  -5.145
  108   3HD2  LEU  14          HD23      LEU  14  -5.481  -6.104  -4.186
  109    HA   PRO  15           HA       PRO  15  -4.542  -6.873   1.393
  110   1HB   PRO  15          HB2       PRO  15  -2.026  -8.095   2.066
  111   2HB   PRO  15          HB1       PRO  15  -3.440  -8.858   1.332
  112   1HG   PRO  15          HG2       PRO  15  -0.926  -8.188   0.085
  113   2HG   PRO  15          HG1       PRO  15  -2.310  -9.029  -0.620
  114   1HD   PRO  15          HD2       PRO  15  -1.419  -6.380  -1.213
  115   2HD   PRO  15          HD1       PRO  15  -2.898  -7.176  -1.800
  116    H    LYS  16           HN       LYS  16  -1.164  -5.689   1.606
  117    HA   LYS  16           HA       LYS  16  -1.156  -5.096   4.394
  118   1HB   LYS  16          HB2       LYS  16   0.355  -4.346   1.939
  119   2HB   LYS  16          HB1       LYS  16   0.585  -3.313   3.350
  120   1HG   LYS  16          HG2       LYS  16   1.838  -4.874   4.386
  121   2HG   LYS  16          HG1       LYS  16   0.634  -6.127   4.083
  122   1HD   LYS  16          HD2       LYS  16   1.614  -6.785   2.093
  123   2HD   LYS  16          HD1       LYS  16   2.300  -5.190   1.782
  124   1HE   LYS  16          HE2       LYS  16   4.158  -6.600   2.370
  125   2HE   LYS  16          HE1       LYS  16   3.823  -5.627   3.818
  126   1HZ   LYS  16          HZ1       LYS  16   2.101  -7.638   4.139
  127   2HZ   LYS  16          HZ2       LYS  16   3.667  -7.636   4.800
  128   3HZ   LYS  16          HZ3       LYS  16   3.356  -8.457   3.344
  129    H    CYS  17           HN       CYS  17  -2.062  -3.098   1.579
  130    HA   CYS  17           HA       CYS  17  -2.467  -0.619   2.873
  131   1HB   CYS  17          HB2       CYS  17  -2.536  -1.225   0.403
  132   2HB   CYS  17          HB1       CYS  17  -4.172  -1.828   0.676
  133    H    LYS  18           HN       LYS  18  -4.660  -3.415   2.573
  134    HA   LYS  18           HA       LYS  18  -6.948  -2.169   3.795
  135   1HB   LYS  18          HB2       LYS  18  -7.155  -4.162   2.452
  136   2HB   LYS  18          HB1       LYS  18  -6.002  -5.031   3.467
  137   1HG   LYS  18          HG2       LYS  18  -8.026  -4.062   5.197
  138   2HG   LYS  18          HG1       LYS  18  -8.849  -4.770   3.807
  139   1HD   LYS  18          HD2       LYS  18  -7.992  -6.889   4.201
  140   2HD   LYS  18          HD1       LYS  18  -6.560  -6.269   5.024
  141   1HE   LYS  18          HE2       LYS  18  -7.709  -6.964   6.900
  142   2HE   LYS  18          HE1       LYS  18  -8.506  -5.388   6.719
  143   1HZ   LYS  18          HZ1       LYS  18 -10.127  -7.202   6.818
  144   2HZ   LYS  18          HZ2       LYS  18  -9.410  -7.925   5.458
  145   3HZ   LYS  18          HZ3       LYS  18 -10.174  -6.413   5.317
  146    H    GLU  19           HN       GLU  19  -4.336  -4.227   5.104
  147    HA   GLU  19           HA       GLU  19  -5.310  -4.273   7.811
  148   1HB   GLU  19          HB2       GLU  19  -3.747  -5.918   7.053
  149   2HB   GLU  19          HB1       GLU  19  -2.628  -4.685   6.470
  150   1HG   GLU  19          HG2       GLU  19  -1.767  -5.537   8.565
  151   2HG   GLU  19          HG1       GLU  19  -2.366  -3.901   8.848
  152    H    ALA  20           HN       ALA  20  -3.830  -1.802   5.946
  153    HA   ALA  20           HA       ALA  20  -2.675  -0.389   8.278
  154   1HB   ALA  20          HB1       ALA  20  -1.957   1.191   6.505
  155   2HB   ALA  20          HB2       ALA  20  -2.916   0.292   5.330
  156   3HB   ALA  20          HB3       ALA  20  -1.524  -0.469   6.099
  157    H    ILE  21           HN       ILE  21  -4.871   0.653   5.640
  158    HA   ILE  21           HA       ILE  21  -6.259   2.409   7.624
  159    HB   ILE  21           HB       ILE  21  -6.916   3.682   5.621
  160   1HG1  ILE  21          HG12      ILE  21  -5.400   1.534   4.100
  161   2HG1  ILE  21          HG11      ILE  21  -7.152   1.742   4.095
  162   1HG2  ILE  21          HG21      ILE  21  -4.158   3.098   6.387
  163   2HG2  ILE  21          HG22      ILE  21  -4.920   4.651   6.042
  164   3HG2  ILE  21          HG23      ILE  21  -4.281   3.670   4.723
  165   1HD1  ILE  21          HD11      ILE  21  -5.132   3.804   3.162
  166   2HD1  ILE  21          HD12      ILE  21  -6.884   4.007   3.155
  167   3HD1  ILE  21          HD13      ILE  21  -6.133   2.800   2.112
  168    H    GLY  22           HN       GLY  22  -6.725  -0.273   5.416
  169   1HA   GLY  22          HA2       GLY  22  -8.636  -1.781   5.951
  170   2HA   GLY  22          HA1       GLY  22  -9.606  -0.332   6.224
  171    H    LYS  23           HN       LYS  23  -7.466  -0.026   3.590
  172    HA   LYS  23           HA       LYS  23  -9.718  -0.602   1.689
  173   1HB   LYS  23          HB2       LYS  23  -7.521   1.493   1.654
  174   2HB   LYS  23          HB1       LYS  23  -8.700   1.264   0.362
  175   1HG   LYS  23          HG2       LYS  23  -9.474   1.813   3.239
  176   2HG   LYS  23          HG1       LYS  23  -9.298   3.080   2.024
  177   1HD   LYS  23          HD2       LYS  23 -11.081   2.215   0.709
  178   2HD   LYS  23          HD1       LYS  23 -11.086   0.684   1.586
  179   1HE   LYS  23          HE2       LYS  23 -11.548   2.347   3.661
  180   2HE   LYS  23          HE1       LYS  23 -12.281   3.303   2.356
  181   1HZ   LYS  23          HZ1       LYS  23 -13.326   1.135   1.620
  182   2HZ   LYS  23          HZ2       LYS  23 -13.953   1.822   3.042
  183   3HZ   LYS  23          HZ3       LYS  23 -12.881   0.507   3.132
  184    H    ALA  24           HN       ALA  24  -9.193  -2.484   0.631
  185    HA   ALA  24           HA       ALA  24  -6.468  -3.422   0.286
  186   1HB   ALA  24          HB1       ALA  24  -9.243  -4.204  -0.529
  187   2HB   ALA  24          HB2       ALA  24  -8.048  -5.123   0.386
  188   3HB   ALA  24          HB3       ALA  24  -7.888  -4.964  -1.363
  189    H    ALA  25           HN       ALA  25  -6.278  -0.941  -0.769
  190    HA   ALA  25           HA       ALA  25  -5.920  -1.477  -3.669
  191   1HB   ALA  25          HB1       ALA  25  -7.705  -0.218  -4.243
  192   2HB   ALA  25          HB2       ALA  25  -7.063   1.140  -3.319
  193   3HB   ALA  25          HB3       ALA  25  -8.105  -0.047  -2.533
  194    H    GLY  26           HN       GLY  26  -3.718  -1.066  -3.752
  195   1HA   GLY  26          HA2       GLY  26  -2.723   1.593  -3.530
  196   2HA   GLY  26          HA1       GLY  26  -2.299   0.719  -2.058
  197    H    LYS  27           HN       LYS  27  -0.486   1.709  -4.149
  198    HA   LYS  27           HA       LYS  27   0.553  -0.861  -5.279
  199   1HB   LYS  27          HB2       LYS  27   0.601   2.035  -6.031
  200   2HB   LYS  27          HB1       LYS  27   1.952   1.031  -6.548
  201   1HG   LYS  27          HG2       LYS  27   0.589   0.567  -8.320
  202   2HG   LYS  27          HG1       LYS  27  -0.127  -0.591  -7.199
  203   1HD   LYS  27          HD2       LYS  27  -1.950   0.672  -8.099
  204   2HD   LYS  27          HD1       LYS  27  -1.693   1.278  -6.462
  205   1HE   LYS  27          HE2       LYS  27  -1.927   3.217  -7.886
  206   2HE   LYS  27          HE1       LYS  27  -0.198   3.080  -7.511
  207   1HZ   LYS  27          HZ1       LYS  27   0.222   2.790  -9.660
  208   2HZ   LYS  27          HZ2       LYS  27  -1.429   2.943 -10.028
  209   3HZ   LYS  27          HZ3       LYS  27  -0.769   1.414  -9.695
  210    H    CYS  28           HN       CYS  28   3.200  -0.020  -5.672
  211    HA   CYS  28           HA       CYS  28   4.239   0.698  -2.968
  212   1HB   CYS  28          HB2       CYS  28   4.072  -1.720  -2.990
  213   2HB   CYS  28          HB1       CYS  28   4.825  -1.802  -4.583
  214    H    MET  29           HN       MET  29   5.977   2.081  -3.173
  215    HA   MET  29           HA       MET  29   7.653   1.964  -5.628
  216   1HB   MET  29          HB2       MET  29   5.521   3.811  -5.137
  217   2HB   MET  29          HB1       MET  29   7.043   4.701  -5.073
  218   1HG   MET  29          HG2       MET  29   7.696   3.708  -7.253
  219   2HG   MET  29          HG1       MET  29   6.140   2.881  -7.324
  220   1HE   MET  29          HE1       MET  29   5.197   4.119  -9.659
  221   2HE   MET  29          HE2       MET  29   3.888   5.064  -8.953
  222   3HE   MET  29          HE3       MET  29   4.335   3.519  -8.235
  223    H    ASN  30           HN       ASN  30   9.778   2.468  -5.160
  224    HA   ASN  30           HA       ASN  30  11.671   2.993  -3.846
  225   1HB   ASN  30          HB2       ASN  30   9.645   5.087  -3.635
  226   2HB   ASN  30          HB1       ASN  30  10.706   5.053  -2.227
  227   1HD2  ASN  30          HD21      ASN  30  13.088   5.219  -2.660
  228   2HD2  ASN  30          HD22      ASN  30  13.626   5.985  -4.077
  229    H    GLY  31           HN       GLY  31   9.325   1.223  -2.708
  230   1HA   GLY  31          HA2       GLY  31   9.528  -0.201  -0.772
  231   2HA   GLY  31          HA1       GLY  31  10.519   1.035   0.001
  232    H    LYS  32           HN       LYS  32   8.025   2.690  -1.346
  233    HA   LYS  32           HA       LYS  32   6.508   2.667   1.230
  234   1HB   LYS  32          HB2       LYS  32   6.566   4.693  -1.031
  235   2HB   LYS  32          HB1       LYS  32   5.876   4.931   0.574
  236   1HG   LYS  32          HG2       LYS  32   8.793   4.572  -0.147
  237   2HG   LYS  32          HG1       LYS  32   8.035   5.972   0.611
  238   1HD   LYS  32          HD2       LYS  32   7.364   4.325   2.499
  239   2HD   LYS  32          HD1       LYS  32   8.590   3.262   1.808
  240   1HE   LYS  32          HE2       LYS  32  10.347   4.759   2.297
  241   2HE   LYS  32          HE1       LYS  32   9.243   6.140   2.457
  242   1HZ   LYS  32          HZ1       LYS  32   9.558   5.564   4.648
  243   2HZ   LYS  32          HZ2       LYS  32   9.698   3.904   4.315
  244   3HZ   LYS  32          HZ3       LYS  32   8.174   4.654   4.279
  245    H    CYS  33           HN       CYS  33   4.121   2.832   1.058
  246    HA   CYS  33           HA       CYS  33   3.105   1.378  -1.354
  247   1HB   CYS  33          HB2       CYS  33   2.964   0.533   1.101
  248   2HB   CYS  33          HB1       CYS  33   1.692   1.740   1.286
  249    H    LYS  34           HN       LYS  34   1.600   2.366  -2.652
  250    HA   LYS  34           HA       LYS  34   0.719   5.120  -1.926
  251   1HB   LYS  34          HB2       LYS  34   1.315   3.550  -4.359
  252   2HB   LYS  34          HB1       LYS  34  -0.085   4.615  -4.505
  253   1HG   LYS  34          HG2       LYS  34   1.223   6.539  -3.869
  254   2HG   LYS  34          HG1       LYS  34   2.607   5.527  -3.456
  255   1HD   LYS  34          HD2       LYS  34   3.278   6.073  -5.574
  256   2HD   LYS  34          HD1       LYS  34   2.211   4.741  -6.018
  257   1HE   LYS  34          HE2       LYS  34   0.723   7.233  -5.680
  258   2HE   LYS  34          HE1       LYS  34   1.979   7.369  -6.927
  259   1HZ   LYS  34          HZ1       LYS  34   0.469   4.878  -6.842
  260   2HZ   LYS  34          HZ2       LYS  34   1.061   5.742  -8.180
  261   3HZ   LYS  34          HZ3       LYS  34  -0.366   6.243  -7.406
  262    H    CYS  35           HN       CYS  35  -0.936   4.305  -0.386
  263    HA   CYS  35           HA       CYS  35  -3.085   2.575  -1.353
  264   1HB   CYS  35          HB2       CYS  35  -2.385   4.130   1.118
  265   2HB   CYS  35          HB1       CYS  35  -4.030   3.520   0.934
  266    H    TYR  36           HN       TYR  36  -5.055   3.230  -2.180
  267    HA   TYR  36           HA       TYR  36  -5.463   6.168  -2.549
  268   1HB   TYR  36          HB2       TYR  36  -5.935   3.691  -4.117
  269   2HB   TYR  36          HB1       TYR  36  -7.160   4.949  -4.280
  270    HD1  TYR  36           HD1      TYR  36  -3.484   4.328  -4.479
  271    HD2  TYR  36           HD2      TYR  36  -6.758   6.879  -5.585
  272    HE1  TYR  36           HE1      TYR  36  -1.983   5.600  -5.987
  273    HE2  TYR  36           HE2      TYR  36  -5.257   8.152  -7.094
  274    HH   TYR  36           HH       TYR  36  -3.174   7.870  -8.278
  275    HA   PRO  37           HA       PRO  37  -8.718   5.528   0.516
  276   1HB   PRO  37          HB2       PRO  37  -9.662   8.179  -0.080
  277   2HB   PRO  37          HB1       PRO  37  -8.745   7.642   1.331
  278   1HG   PRO  37          HG2       PRO  37  -7.826   9.257  -0.858
  279   2HG   PRO  37          HG1       PRO  37  -6.915   8.723   0.557
  280   1HD   PRO  37          HD2       PRO  37  -6.638   7.813  -2.163
  281   2HD   PRO  37          HD1       PRO  37  -5.740   7.255  -0.730
  Start of MODEL    7
    1   1H    VAL   1          HT1       VAL   1  -2.235  10.449   0.284
    2   2H    VAL   1          HT2       VAL   1  -2.106   8.896  -0.396
    3   3H    VAL   1          HT3       VAL   1  -0.705   9.772   0.002
    4    HA   VAL   1           HA       VAL   1  -1.210   9.621   2.350
    5    HB   VAL   1           HB       VAL   1  -3.689   8.281   1.225
    6   1HG1  VAL   1          HG11      VAL   1  -4.344   8.132   3.669
    7   2HG1  VAL   1          HG12      VAL   1  -2.672   8.526   4.069
    8   3HG1  VAL   1          HG13      VAL   1  -3.043   7.043   3.189
    9   1HG2  VAL   1          HG21      VAL   1  -4.772  10.136   2.606
   10   2HG2  VAL   1          HG22      VAL   1  -3.905  10.667   1.165
   11   3HG2  VAL   1          HG23      VAL   1  -3.162  10.840   2.755
   12    H    PHE   2           HN       PHE   2   0.790   8.410   1.527
   13    HA   PHE   2           HA       PHE   2   0.369   5.485   1.166
   14   1HB   PHE   2          HB2       PHE   2   2.881   7.184   1.046
   15   2HB   PHE   2          HB1       PHE   2   2.705   5.532   0.459
   16    HD1  PHE   2           HD1      PHE   2  -0.326   6.404  -0.435
   17    HD2  PHE   2           HD2      PHE   2   3.672   7.706  -1.310
   18    HE1  PHE   2           HE1      PHE   2  -1.088   7.264  -2.630
   19    HE2  PHE   2           HE2      PHE   2   2.911   8.567  -3.505
   20    HZ   PHE   2           HZ       PHE   2   0.531   8.350  -4.166
   21    H    ILE   3           HN       ILE   3   1.484   3.972   2.552
   22    HA   ILE   3           HA       ILE   3   2.072   5.070   5.270
   23    HB   ILE   3           HB       ILE   3   1.515   2.816   6.021
   24   1HG1  ILE   3          HG12      ILE   3   1.057   2.067   3.128
   25   2HG1  ILE   3          HG11      ILE   3   2.592   1.759   3.938
   26   1HG2  ILE   3          HG21      ILE   3  -0.750   2.724   4.422
   27   2HG2  ILE   3          HG22      ILE   3  -0.264   4.417   4.337
   28   3HG2  ILE   3          HG23      ILE   3  -0.576   3.667   5.902
   29   1HD1  ILE   3          HD11      ILE   3   0.035   0.874   5.241
   30   2HD1  ILE   3          HD12      ILE   3   1.660   0.208   5.411
   31   3HD1  ILE   3          HD13      ILE   3   0.731  -0.097   3.944
   32    H    ASN   4           HN       ASN   4   4.062   4.592   6.250
   33    HA   ASN   4           HA       ASN   4   6.260   3.843   4.455
   34   1HB   ASN   4          HB2       ASN   4   7.608   4.433   6.443
   35   2HB   ASN   4          HB1       ASN   4   6.389   5.669   6.126
   36   1HD2  ASN   4          HD21      ASN   4   7.743   4.433   8.720
   37   2HD2  ASN   4          HD22      ASN   4   6.413   4.223   9.754
   38    H    ALA   5           HN       ALA   5   5.185   1.561   4.223
   39    HA   ALA   5           HA       ALA   5   5.996  -0.202   6.508
   40   1HB   ALA   5          HB1       ALA   5   4.429  -1.666   4.738
   41   2HB   ALA   5          HB2       ALA   5   3.742  -0.045   4.642
   42   3HB   ALA   5          HB3       ALA   5   3.848  -0.867   6.199
   43    H    LYS   6           HN       LYS   6   7.653   0.916   4.171
   44    HA   LYS   6           HA       LYS   6   9.073   0.102   2.431
   45   1HB   LYS   6          HB2       LYS   6  10.611  -1.571   3.482
   46   2HB   LYS   6          HB1       LYS   6  10.282  -0.176   4.507
   47   1HG   LYS   6          HG2       LYS   6   8.632  -1.450   5.778
   48   2HG   LYS   6          HG1       LYS   6   8.835  -2.834   4.702
   49   1HD   LYS   6          HD2       LYS   6  11.116  -3.149   5.422
   50   2HD   LYS   6          HD1       LYS   6  11.096  -1.632   6.323
   51   1HE   LYS   6          HE2       LYS   6   8.891  -3.269   7.206
   52   2HE   LYS   6          HE1       LYS   6  10.398  -4.203   7.300
   53   1HZ   LYS   6          HZ1       LYS   6   9.839  -1.532   8.460
   54   2HZ   LYS   6          HZ2       LYS   6  11.418  -2.133   8.277
   55   3HZ   LYS   6          HZ3       LYS   6  10.308  -2.943   9.276
   56    H    CYS   7           HN       CYS   7   6.844  -0.718   1.442
   57    HA   CYS   7           HA       CYS   7   6.114  -3.454   1.412
   58   1HB   CYS   7          HB2       CYS   7   5.051  -2.829  -0.737
   59   2HB   CYS   7          HB1       CYS   7   4.821  -1.566   0.473
   60    H    ARG   8           HN       ARG   8   6.446  -4.941  -0.531
   61    HA   ARG   8           HA       ARG   8   9.270  -4.747  -1.535
   62   1HB   ARG   8          HB2       ARG   8   7.592  -7.042  -0.505
   63   2HB   ARG   8          HB1       ARG   8   9.048  -7.316  -1.461
   64   1HG   ARG   8          HG2       ARG   8   9.666  -5.383   0.551
   65   2HG   ARG   8          HG1       ARG   8   8.859  -6.745   1.330
   66   1HD   ARG   8          HD2       ARG   8  10.449  -8.278   0.064
   67   2HD   ARG   8          HD1       ARG   8  11.352  -6.823  -0.396
   68    HE   ARG   8           HE       ARG   8  10.894  -7.680   2.437
   69   1HH1  ARG   8          HH21      ARG   8  12.011  -5.188   0.451
   70   2HH1  ARG   8          HH22      ARG   8  13.516  -4.974   1.282
   71   1HH2  ARG   8          HH11      ARG   8  13.082  -7.740   3.328
   72   2HH2  ARG   8          HH12      ARG   8  14.123  -6.421   2.910
   73    H    GLY   9           HN       GLY   9   5.908  -5.425  -2.267
   74   1HA   GLY   9          HA2       GLY   9   6.546  -5.350  -5.150
   75   2HA   GLY   9          HA1       GLY   9   5.758  -6.816  -4.566
   76    H    SER  10           HN       SER  10   4.738  -4.709  -6.412
   77    HA   SER  10           HA       SER  10   2.899  -2.911  -5.382
   78   1HB   SER  10          HB2       SER  10   3.450  -4.233  -7.808
   79   2HB   SER  10          HB1       SER  10   1.727  -4.465  -7.525
   80    HG   SER  10           HG       SER  10   3.186  -2.033  -7.588
   81    HA   PRO  11           HA       PRO  11  -0.405  -6.456  -5.016
   82   1HB   PRO  11          HB2       PRO  11   1.045  -8.908  -4.612
   83   2HB   PRO  11          HB1       PRO  11  -0.054  -8.497  -5.931
   84   1HG   PRO  11          HG2       PRO  11   2.791  -8.765  -6.052
   85   2HG   PRO  11          HG1       PRO  11   1.692  -8.305  -7.355
   86   1HD   PRO  11          HD2       PRO  11   3.570  -6.634  -5.932
   87   2HD   PRO  11          HD1       PRO  11   2.502  -6.180  -7.282
   88    H    GLU  12           HN       GLU  12   2.620  -6.238  -3.324
   89    HA   GLU  12           HA       GLU  12   1.818  -7.515  -0.855
   90   1HB   GLU  12          HB2       GLU  12   4.152  -7.106  -1.607
   91   2HB   GLU  12          HB1       GLU  12   3.887  -5.370  -1.443
   92   1HG   GLU  12          HG2       GLU  12   4.061  -5.429   0.822
   93   2HG   GLU  12          HG1       GLU  12   3.169  -6.946   0.946
   94    H    CYS  13           HN       CYS  13   1.346  -4.311  -2.221
   95    HA   CYS  13           HA       CYS  13   0.654  -3.012   0.288
   96   1HB   CYS  13          HB2       CYS  13   1.341  -2.220  -2.229
   97   2HB   CYS  13          HB1       CYS  13  -0.405  -1.979  -2.280
   98    H    LEU  14           HN       LEU  14  -1.131  -4.870  -2.129
   99    HA   LEU  14           HA       LEU  14  -3.767  -4.004  -1.577
  100   1HB   LEU  14          HB2       LEU  14  -2.423  -6.128  -2.925
  101   2HB   LEU  14          HB1       LEU  14  -3.676  -6.857  -1.921
  102    HG   LEU  14           HG       LEU  14  -4.730  -6.350  -4.002
  103   1HD1  LEU  14          HD11      LEU  14  -6.529  -5.137  -3.224
  104   2HD1  LEU  14          HD12      LEU  14  -5.512  -3.879  -2.523
  105   3HD1  LEU  14          HD13      LEU  14  -5.706  -5.422  -1.690
  106   1HD2  LEU  14          HD21      LEU  14  -4.545  -3.601  -4.399
  107   2HD2  LEU  14          HD22      LEU  14  -3.670  -4.835  -5.306
  108   3HD2  LEU  14          HD23      LEU  14  -2.912  -4.060  -3.914
  109    HA   PRO  15           HA       PRO  15  -3.902  -7.328   1.966
  110   1HB   PRO  15          HB2       PRO  15  -1.186  -7.887   2.719
  111   2HB   PRO  15          HB1       PRO  15  -2.379  -9.007   2.054
  112   1HG   PRO  15          HG2       PRO  15  -0.052  -7.955   0.758
  113   2HG   PRO  15          HG1       PRO  15  -1.265  -9.049   0.086
  114   1HD   PRO  15          HD2       PRO  15  -0.847  -6.257  -0.533
  115   2HD   PRO  15          HD1       PRO  15  -2.033  -7.376  -1.237
  116    H    LYS  16           HN       LYS  16  -0.860  -5.425   2.079
  117    HA   LYS  16           HA       LYS  16  -1.151  -4.629   4.833
  118   1HB   LYS  16          HB2       LYS  16   0.385  -3.380   2.532
  119   2HB   LYS  16          HB1       LYS  16   0.714  -3.135   4.247
  120   1HG   LYS  16          HG2       LYS  16   0.717  -5.879   2.977
  121   2HG   LYS  16          HG1       LYS  16   2.169  -4.880   3.071
  122   1HD   LYS  16          HD2       LYS  16   0.486  -5.551   5.494
  123   2HD   LYS  16          HD1       LYS  16   1.855  -6.539   4.981
  124   1HE   LYS  16          HE2       LYS  16   3.419  -4.858   5.466
  125   2HE   LYS  16          HE1       LYS  16   2.206  -3.566   5.356
  126   1HZ   LYS  16          HZ1       LYS  16   1.778  -5.699   7.316
  127   2HZ   LYS  16          HZ2       LYS  16   1.345  -4.058   7.392
  128   3HZ   LYS  16          HZ3       LYS  16   2.952  -4.528   7.677
  129    H    CYS  17           HN       CYS  17  -1.653  -2.772   1.797
  130    HA   CYS  17           HA       CYS  17  -2.566  -0.365   2.953
  131   1HB   CYS  17          HB2       CYS  17  -1.992  -0.889   0.544
  132   2HB   CYS  17          HB1       CYS  17  -3.563  -1.679   0.407
  133    H    LYS  18           HN       LYS  18  -4.482  -3.194   1.894
  134    HA   LYS  18           HA       LYS  18  -7.049  -2.207   2.622
  135   1HB   LYS  18          HB2       LYS  18  -6.280  -4.305   1.305
  136   2HB   LYS  18          HB1       LYS  18  -6.157  -5.081   2.884
  137   1HG   LYS  18          HG2       LYS  18  -8.666  -3.591   2.203
  138   2HG   LYS  18          HG1       LYS  18  -8.418  -5.195   1.514
  139   1HD   LYS  18          HD2       LYS  18  -7.936  -4.795   4.445
  140   2HD   LYS  18          HD1       LYS  18  -9.598  -4.922   3.865
  141   1HE   LYS  18          HE2       LYS  18  -7.671  -6.950   2.827
  142   2HE   LYS  18          HE1       LYS  18  -8.170  -7.105   4.523
  143   1HZ   LYS  18          HZ1       LYS  18 -10.221  -6.451   2.541
  144   2HZ   LYS  18          HZ2       LYS  18 -10.348  -7.365   3.969
  145   3HZ   LYS  18          HZ3       LYS  18  -9.653  -8.050   2.577
  146    H    GLU  19           HN       GLU  19  -4.537  -3.814   4.539
  147    HA   GLU  19           HA       GLU  19  -6.273  -3.772   6.951
  148   1HB   GLU  19          HB2       GLU  19  -3.589  -4.949   6.203
  149   2HB   GLU  19          HB1       GLU  19  -4.187  -4.983   7.861
  150   1HG   GLU  19          HG2       GLU  19  -6.364  -5.862   6.366
  151   2HG   GLU  19          HG1       GLU  19  -4.981  -6.619   5.573
  152    H    ALA  20           HN       ALA  20  -4.527  -1.497   5.439
  153    HA   ALA  20           HA       ALA  20  -3.396  -0.386   7.990
  154   1HB   ALA  20          HB1       ALA  20  -2.497  -0.066   5.108
  155   2HB   ALA  20          HB2       ALA  20  -1.704  -1.056   6.333
  156   3HB   ALA  20          HB3       ALA  20  -1.730   0.700   6.500
  157    H    ILE  21           HN       ILE  21  -5.554   0.127   5.318
  158    HA   ILE  21           HA       ILE  21  -6.021   2.927   6.292
  159    HB   ILE  21           HB       ILE  21  -4.772   2.797   4.137
  160   1HG1  ILE  21          HG12      ILE  21  -7.632   3.799   3.943
  161   2HG1  ILE  21          HG11      ILE  21  -6.251   4.709   4.554
  162   1HG2  ILE  21          HG21      ILE  21  -6.502   0.670   3.643
  163   2HG2  ILE  21          HG22      ILE  21  -5.392   1.394   2.481
  164   3HG2  ILE  21          HG23      ILE  21  -7.069   1.937   2.557
  165   1HD1  ILE  21          HD11      ILE  21  -7.065   4.924   2.011
  166   2HD1  ILE  21          HD12      ILE  21  -6.008   3.525   1.828
  167   3HD1  ILE  21          HD13      ILE  21  -5.361   5.041   2.455
  168    H    GLY  22           HN       GLY  22  -7.387  -0.091   5.102
  169   1HA   GLY  22          HA2       GLY  22  -9.622  -0.715   5.974
  170   2HA   GLY  22          HA1       GLY  22 -10.093   0.976   5.791
  171    H    LYS  23           HN       LYS  23  -8.209   0.193   3.166
  172    HA   LYS  23           HA       LYS  23 -10.497  -0.860   1.563
  173   1HB   LYS  23          HB2       LYS  23  -9.000   1.741   1.299
  174   2HB   LYS  23          HB1       LYS  23  -9.718   0.991  -0.127
  175   1HG   LYS  23          HG2       LYS  23 -11.379   1.292   2.354
  176   2HG   LYS  23          HG1       LYS  23 -11.131   2.692   1.311
  177   1HD   LYS  23          HD2       LYS  23 -12.684   1.915  -0.116
  178   2HD   LYS  23          HD1       LYS  23 -11.738   0.445  -0.352
  179   1HE   LYS  23          HE2       LYS  23 -12.986   0.241   2.209
  180   2HE   LYS  23          HE1       LYS  23 -14.230   0.717   1.035
  181   1HZ   LYS  23          HZ1       LYS  23 -12.248  -1.456   0.607
  182   2HZ   LYS  23          HZ2       LYS  23 -13.519  -1.027  -0.436
  183   3HZ   LYS  23          HZ3       LYS  23 -13.856  -1.709   1.084
  184    H    ALA  24           HN       ALA  24  -9.800  -2.374   0.090
  185    HA   ALA  24           HA       ALA  24  -7.003  -3.154   0.014
  186   1HB   ALA  24          HB1       ALA  24  -9.106  -4.029  -1.950
  187   2HB   ALA  24          HB2       ALA  24  -9.255  -4.485  -0.253
  188   3HB   ALA  24          HB3       ALA  24  -7.842  -4.988  -1.180
  189    H    ALA  25           HN       ALA  25  -6.836  -0.575  -0.774
  190    HA   ALA  25           HA       ALA  25  -6.337  -0.769  -3.722
  191   1HB   ALA  25          HB1       ALA  25  -7.135   1.643  -3.776
  192   2HB   ALA  25          HB2       ALA  25  -7.679   1.422  -2.113
  193   3HB   ALA  25          HB3       ALA  25  -8.391   0.460  -3.409
  194    H    GLY  26           HN       GLY  26  -4.058  -0.964  -3.427
  195   1HA   GLY  26          HA2       GLY  26  -2.669   1.530  -2.848
  196   2HA   GLY  26          HA1       GLY  26  -2.388   0.297  -1.619
  197    H    LYS  27           HN       LYS  27  -0.378   1.380  -3.384
  198    HA   LYS  27           HA       LYS  27   0.362  -1.115  -4.879
  199   1HB   LYS  27          HB2       LYS  27   0.758   1.795  -5.650
  200   2HB   LYS  27          HB1       LYS  27   1.353   0.418  -6.575
  201   1HG   LYS  27          HG2       LYS  27  -0.670   0.050  -7.504
  202   2HG   LYS  27          HG1       LYS  27  -1.479   0.149  -5.941
  203   1HD   LYS  27          HD2       LYS  27  -2.286   1.941  -7.400
  204   2HD   LYS  27          HD1       LYS  27  -1.361   2.631  -6.066
  205   1HE   LYS  27          HE2       LYS  27   0.597   2.167  -7.972
  206   2HE   LYS  27          HE1       LYS  27  -0.790   2.705  -8.943
  207   1HZ   LYS  27          HZ1       LYS  27   0.712   4.473  -7.829
  208   2HZ   LYS  27          HZ2       LYS  27  -0.136   4.069  -6.414
  209   3HZ   LYS  27          HZ3       LYS  27  -0.971   4.666  -7.768
  210    H    CYS  28           HN       CYS  28   2.918  -0.720  -5.486
  211    HA   CYS  28           HA       CYS  28   4.268   0.267  -2.996
  212   1HB   CYS  28          HB2       CYS  28   4.053  -2.134  -2.847
  213   2HB   CYS  28          HB1       CYS  28   4.613  -2.337  -4.507
  214    H    MET  29           HN       MET  29   5.625   1.891  -3.640
  215    HA   MET  29           HA       MET  29   7.450   1.410  -5.930
  216   1HB   MET  29          HB2       MET  29   5.377   2.471  -6.816
  217   2HB   MET  29          HB1       MET  29   5.611   3.815  -5.697
  218   1HG   MET  29          HG2       MET  29   6.501   4.398  -7.909
  219   2HG   MET  29          HG1       MET  29   7.816   4.277  -6.738
  220   1HE   MET  29          HE1       MET  29   5.968   3.287  -9.521
  221   2HE   MET  29          HE2       MET  29   6.028   1.525  -9.541
  222   3HE   MET  29          HE3       MET  29   7.114   2.449 -10.576
  223    H    ASN  30           HN       ASN  30   9.352   2.751  -5.804
  224    HA   ASN  30           HA       ASN  30  10.996   4.038  -4.687
  225   1HB   ASN  30          HB2       ASN  30   8.356   5.225  -4.178
  226   2HB   ASN  30          HB1       ASN  30   9.543   5.623  -2.938
  227   1HD2  ASN  30          HD21      ASN  30   8.401   6.603  -5.955
  228   2HD2  ASN  30          HD22      ASN  30   9.747   7.504  -6.459
  229    H    GLY  31           HN       GLY  31   9.411   1.592  -3.360
  230   1HA   GLY  31          HA2       GLY  31  10.020   0.288  -1.471
  231   2HA   GLY  31          HA1       GLY  31  11.036   1.622  -0.917
  232    H    LYS  32           HN       LYS  32   7.746   2.291  -1.828
  233    HA   LYS  32           HA       LYS  32   6.961   2.403   1.065
  234   1HB   LYS  32          HB2       LYS  32   6.806   4.482  -1.124
  235   2HB   LYS  32          HB1       LYS  32   5.779   4.577   0.307
  236   1HG   LYS  32          HG2       LYS  32   7.568   4.957   1.737
  237   2HG   LYS  32          HG1       LYS  32   8.720   4.143   0.679
  238   1HD   LYS  32          HD2       LYS  32   8.710   5.995  -0.872
  239   2HD   LYS  32          HD1       LYS  32   7.385   6.774  -0.006
  240   1HE   LYS  32          HE2       LYS  32   8.757   7.366   1.818
  241   2HE   LYS  32          HE1       LYS  32   9.981   6.148   1.406
  242   1HZ   LYS  32          HZ1       LYS  32   9.287   8.239  -0.544
  243   2HZ   LYS  32          HZ2       LYS  32  10.735   7.366  -0.378
  244   3HZ   LYS  32          HZ3       LYS  32  10.359   8.609   0.718
  245    H    CYS  33           HN       CYS  33   4.562   2.398   1.343
  246    HA   CYS  33           HA       CYS  33   3.253   0.814  -0.834
  247   1HB   CYS  33          HB2       CYS  33   3.577   0.439   1.876
  248   2HB   CYS  33          HB1       CYS  33   1.960   1.131   1.800
  249    H    LYS  34           HN       LYS  34   1.790   1.934  -2.085
  250    HA   LYS  34           HA       LYS  34   0.805   4.575  -1.185
  251   1HB   LYS  34          HB2       LYS  34   1.046   2.997  -3.693
  252   2HB   LYS  34          HB1       LYS  34  -0.313   4.119  -3.620
  253   1HG   LYS  34          HG2       LYS  34   1.101   5.798  -4.109
  254   2HG   LYS  34          HG1       LYS  34   1.913   5.513  -2.570
  255   1HD   LYS  34          HD2       LYS  34   3.730   5.026  -3.839
  256   2HD   LYS  34          HD1       LYS  34   2.925   3.484  -4.126
  257   1HE   LYS  34          HE2       LYS  34   3.195   4.119  -6.331
  258   2HE   LYS  34          HE1       LYS  34   1.692   5.007  -6.014
  259   1HZ   LYS  34          HZ1       LYS  34   3.104   6.864  -5.192
  260   2HZ   LYS  34          HZ2       LYS  34   3.278   6.557  -6.853
  261   3HZ   LYS  34          HZ3       LYS  34   4.467   6.032  -5.760
  262    H    CYS  35           HN       CYS  35  -1.502   5.057  -1.103
  263    HA   CYS  35           HA       CYS  35  -3.356   2.728  -1.103
  264   1HB   CYS  35          HB2       CYS  35  -2.508   4.425   1.231
  265   2HB   CYS  35          HB1       CYS  35  -4.135   3.744   1.202
  266    H    TYR  36           HN       TYR  36  -5.646   3.455  -0.996
  267    HA   TYR  36           HA       TYR  36  -6.098   6.343  -1.568
  268   1HB   TYR  36          HB2       TYR  36  -6.815   3.987  -3.341
  269   2HB   TYR  36          HB1       TYR  36  -7.443   5.616  -3.582
  270    HD1  TYR  36           HD1      TYR  36  -4.642   3.388  -4.082
  271    HD2  TYR  36           HD2      TYR  36  -5.807   7.520  -3.964
  272    HE1  TYR  36           HE1      TYR  36  -2.575   4.007  -5.305
  273    HE2  TYR  36           HE2      TYR  36  -3.740   8.139  -5.185
  274    HH   TYR  36           HH       TYR  36  -1.307   6.944  -5.400
  275    HA   PRO  37           HA       PRO  37  -9.749   5.813   0.816
  276   1HB   PRO  37          HB2       PRO  37 -11.467   7.195  -1.032
  277   2HB   PRO  37          HB1       PRO  37 -10.725   7.824   0.442
  278   1HG   PRO  37          HG2       PRO  37 -10.047   8.450  -2.276
  279   2HG   PRO  37          HG1       PRO  37  -9.306   9.076  -0.801
  280   1HD   PRO  37          HD2       PRO  37  -8.178   7.213  -2.692
  281   2HD   PRO  37          HD1       PRO  37  -7.437   7.831  -1.195
  Start of MODEL    8
    1   1H    VAL   1          HT1       VAL   1  -1.459   9.511   0.792
    2   2H    VAL   1          HT2       VAL   1  -2.562  10.415   1.714
    3   3H    VAL   1          HT3       VAL   1  -3.114   9.145   0.731
    4    HA   VAL   1           HA       VAL   1  -1.851   9.041   3.366
    5    HB   VAL   1           HB       VAL   1  -3.928   7.515   1.765
    6   1HG1  VAL   1          HG11      VAL   1  -4.011   5.932   3.378
    7   2HG1  VAL   1          HG12      VAL   1  -3.916   7.136   4.665
    8   3HG1  VAL   1          HG13      VAL   1  -2.441   6.539   3.904
    9   1HG2  VAL   1          HG21      VAL   1  -3.965   9.932   3.316
   10   2HG2  VAL   1          HG22      VAL   1  -4.929   8.712   4.147
   11   3HG2  VAL   1          HG23      VAL   1  -5.305   9.147   2.480
   12    H    PHE   2           HN       PHE   2   0.373   8.521   2.716
   13    HA   PHE   2           HA       PHE   2   0.656   5.768   1.550
   14   1HB   PHE   2          HB2       PHE   2   2.409   8.236   1.367
   15   2HB   PHE   2          HB1       PHE   2   2.870   6.654   0.743
   16    HD1  PHE   2           HD1      PHE   2   2.603   9.169  -0.930
   17    HD2  PHE   2           HD2      PHE   2  -0.214   6.067   0.018
   18    HE1  PHE   2           HE1      PHE   2   1.374   9.636  -3.031
   19    HE2  PHE   2           HE2      PHE   2  -1.439   6.535  -2.078
   20    HZ   PHE   2           HZ       PHE   2  -0.649   8.322  -3.605
   21    H    ILE   3           HN       ILE   3   2.055   4.357   2.614
   22    HA   ILE   3           HA       ILE   3   3.062   5.285   5.278
   23    HB   ILE   3           HB       ILE   3   2.830   2.400   4.496
   24   1HG1  ILE   3          HG12      ILE   3   0.432   4.084   5.299
   25   2HG1  ILE   3          HG11      ILE   3   0.724   3.498   3.661
   26   1HG2  ILE   3          HG21      ILE   3   2.039   2.276   6.875
   27   2HG2  ILE   3          HG22      ILE   3   2.282   4.019   6.998
   28   3HG2  ILE   3          HG23      ILE   3   3.658   2.955   6.705
   29   1HD1  ILE   3          HD11      ILE   3   1.012   1.184   5.049
   30   2HD1  ILE   3          HD12      ILE   3  -0.524   1.717   4.364
   31   3HD1  ILE   3          HD13      ILE   3  -0.168   2.012   6.066
   32    H    ASN   4           HN       ASN   4   5.160   4.256   5.951
   33    HA   ASN   4           HA       ASN   4   6.965   3.878   3.586
   34   1HB   ASN   4          HB2       ASN   4   8.706   4.726   5.206
   35   2HB   ASN   4          HB1       ASN   4   7.424   5.890   4.872
   36   1HD2  ASN   4          HD21      ASN   4   5.805   6.263   6.571
   37   2HD2  ASN   4          HD22      ASN   4   6.099   5.788   8.174
   38    H    ALA   5           HN       ALA   5   5.791   1.570   4.147
   39    HA   ALA   5           HA       ALA   5   7.234   0.105   6.276
   40   1HB   ALA   5          HB1       ALA   5   4.701   0.044   5.279
   41   2HB   ALA   5          HB2       ALA   5   5.444  -1.321   6.113
   42   3HB   ALA   5          HB3       ALA   5   5.435  -1.263   4.350
   43    H    LYS   6           HN       LYS   6   8.217   1.062   3.348
   44    HA   LYS   6           HA       LYS   6   9.749   0.207   1.757
   45   1HB   LYS   6          HB2       LYS   6  10.287  -1.814   3.949
   46   2HB   LYS   6          HB1       LYS   6  11.425  -1.207   2.745
   47   1HG   LYS   6          HG2       LYS   6  12.044   0.272   4.348
   48   2HG   LYS   6          HG1       LYS   6  10.550   1.116   3.938
   49   1HD   LYS   6          HD2       LYS   6   9.503   0.460   5.850
   50   2HD   LYS   6          HD1       LYS   6  10.222  -1.151   5.805
   51   1HE   LYS   6          HE2       LYS   6  12.425  -0.061   6.499
   52   2HE   LYS   6          HE1       LYS   6  11.486   1.409   6.827
   53   1HZ   LYS   6          HZ1       LYS   6   9.957  -0.486   7.953
   54   2HZ   LYS   6          HZ2       LYS   6  11.105   0.434   8.802
   55   3HZ   LYS   6          HZ3       LYS   6  11.503  -1.119   8.242
   56    H    CYS   7           HN       CYS   7   7.089  -0.745   1.455
   57    HA   CYS   7           HA       CYS   7   6.535  -3.452   1.381
   58   1HB   CYS   7          HB2       CYS   7   5.232  -2.865  -0.696
   59   2HB   CYS   7          HB1       CYS   7   4.999  -1.726   0.630
   60    H    ARG   8           HN       ARG   8   6.605  -4.926  -0.615
   61    HA   ARG   8           HA       ARG   8   9.251  -4.671  -2.011
   62   1HB   ARG   8          HB2       ARG   8   7.815  -7.147  -0.993
   63   2HB   ARG   8          HB1       ARG   8   9.394  -7.123  -1.779
   64   1HG   ARG   8          HG2       ARG   8   9.363  -5.229   0.398
   65   2HG   ARG   8          HG1       ARG   8   8.853  -6.815   0.978
   66   1HD   ARG   8          HD2       ARG   8  11.162  -6.891  -0.866
   67   2HD   ARG   8          HD1       ARG   8  11.477  -6.084   0.682
   68    HE   ARG   8           HE       ARG   8   9.997  -8.616   0.893
   69   1HH1  ARG   8          HH21      ARG   8  11.741  -7.376   3.034
   70   2HH1  ARG   8          HH22      ARG   8  13.120  -8.423   3.007
   71   1HH2  ARG   8          HH11      ARG   8  12.331  -9.815  -0.070
   72   2HH2  ARG   8          HH12      ARG   8  13.453  -9.806   1.249
   73    H    GLY   9           HN       GLY   9   5.836  -5.358  -2.253
   74   1HA   GLY   9          HA2       GLY   9   6.136  -5.537  -5.205
   75   2HA   GLY   9          HA1       GLY   9   5.217  -6.795  -4.379
   76    H    SER  10           HN       SER  10   3.948  -5.237  -6.284
   77    HA   SER  10           HA       SER  10   2.573  -2.971  -5.057
   78   1HB   SER  10          HB2       SER  10   3.070  -4.009  -7.614
   79   2HB   SER  10          HB1       SER  10   1.325  -4.137  -7.410
   80    HG   SER  10           HG       SER  10   2.800  -1.800  -6.781
   81    HA   PRO  11           HA       PRO  11  -1.123  -6.121  -5.171
   82   1HB   PRO  11          HB2       PRO  11   0.019  -8.761  -5.068
   83   2HB   PRO  11          HB1       PRO  11  -0.989  -8.059  -6.337
   84   1HG   PRO  11          HG2       PRO  11   1.796  -8.664  -6.471
   85   2HG   PRO  11          HG1       PRO  11   0.806  -7.879  -7.704
   86   1HD   PRO  11          HD2       PRO  11   2.830  -6.694  -5.998
   87   2HD   PRO  11          HD1       PRO  11   1.916  -5.927  -7.320
   88    H    GLU  12           HN       GLU  12   1.899  -6.745  -3.483
   89    HA   GLU  12           HA       GLU  12   0.761  -8.049  -1.163
   90   1HB   GLU  12          HB2       GLU  12   3.319  -6.956  -2.119
   91   2HB   GLU  12          HB1       GLU  12   3.109  -6.815  -0.374
   92   1HG   GLU  12          HG2       GLU  12   2.178  -9.390  -1.057
   93   2HG   GLU  12          HG1       GLU  12   3.689  -9.172  -1.939
   94    H    CYS  13           HN       CYS  13   1.409  -4.675  -2.043
   95    HA   CYS  13           HA       CYS  13   0.939  -3.514   0.539
   96   1HB   CYS  13          HB2       CYS  13   1.401  -2.735  -2.208
   97   2HB   CYS  13          HB1       CYS  13   0.133  -1.729  -1.507
   98    H    LEU  14           HN       LEU  14  -1.212  -4.690  -1.979
   99    HA   LEU  14           HA       LEU  14  -3.588  -3.284  -1.379
  100   1HB   LEU  14          HB2       LEU  14  -2.722  -5.667  -2.777
  101   2HB   LEU  14          HB1       LEU  14  -4.264  -5.960  -1.974
  102    HG   LEU  14           HG       LEU  14  -4.794  -3.530  -2.985
  103   1HD1  LEU  14          HD11      LEU  14  -3.645  -2.997  -4.923
  104   2HD1  LEU  14          HD12      LEU  14  -3.218  -4.676  -5.256
  105   3HD1  LEU  14          HD13      LEU  14  -2.347  -3.773  -4.016
  106   1HD2  LEU  14          HD21      LEU  14  -5.106  -5.440  -5.134
  107   2HD2  LEU  14          HD22      LEU  14  -6.337  -4.770  -4.064
  108   3HD2  LEU  14          HD23      LEU  14  -5.443  -6.213  -3.585
  109    HA   PRO  15           HA       PRO  15  -4.684  -6.763   1.843
  110   1HB   PRO  15          HB2       PRO  15  -2.194  -7.989   2.600
  111   2HB   PRO  15          HB1       PRO  15  -3.594  -8.756   1.844
  112   1HG   PRO  15          HG2       PRO  15  -1.044  -8.115   0.650
  113   2HG   PRO  15          HG1       PRO  15  -2.410  -8.973  -0.072
  114   1HD   PRO  15          HD2       PRO  15  -1.507  -6.339  -0.710
  115   2HD   PRO  15          HD1       PRO  15  -2.981  -7.143  -1.300
  116    H    LYS  16           HN       LYS  16  -1.301  -5.609   2.105
  117    HA   LYS  16           HA       LYS  16  -1.322  -4.935   4.867
  118   1HB   LYS  16          HB2       LYS  16   0.185  -4.227   2.396
  119   2HB   LYS  16          HB1       LYS  16   0.381  -3.133   3.766
  120   1HG   LYS  16          HG2       LYS  16   0.535  -5.720   4.859
  121   2HG   LYS  16          HG1       LYS  16   1.490  -5.782   3.377
  122   1HD   LYS  16          HD2       LYS  16   2.043  -3.305   4.704
  123   2HD   LYS  16          HD1       LYS  16   2.215  -4.616   5.873
  124   1HE   LYS  16          HE2       LYS  16   3.505  -5.772   3.825
  125   2HE   LYS  16          HE1       LYS  16   3.792  -4.077   3.390
  126   1HZ   LYS  16          HZ1       LYS  16   5.300  -3.975   5.001
  127   2HZ   LYS  16          HZ2       LYS  16   4.967  -5.570   5.479
  128   3HZ   LYS  16          HZ3       LYS  16   4.090  -4.280   6.151
  129    H    CYS  17           HN       CYS  17  -2.355  -3.111   2.000
  130    HA   CYS  17           HA       CYS  17  -2.894  -0.621   3.373
  131   1HB   CYS  17          HB2       CYS  17  -2.504  -1.046   0.898
  132   2HB   CYS  17          HB1       CYS  17  -4.127  -1.734   0.833
  133    H    LYS  18           HN       LYS  18  -4.830  -3.493   2.578
  134    HA   LYS  18           HA       LYS  18  -7.412  -2.533   3.228
  135   1HB   LYS  18          HB2       LYS  18  -6.924  -4.689   2.164
  136   2HB   LYS  18          HB1       LYS  18  -6.118  -5.251   3.628
  137   1HG   LYS  18          HG2       LYS  18  -8.532  -4.483   4.639
  138   2HG   LYS  18          HG1       LYS  18  -9.005  -5.037   3.032
  139   1HD   LYS  18          HD2       LYS  18  -7.256  -7.007   3.796
  140   2HD   LYS  18          HD1       LYS  18  -8.006  -6.586   5.335
  141   1HE   LYS  18          HE2       LYS  18  -9.575  -8.121   4.583
  142   2HE   LYS  18          HE1       LYS  18 -10.224  -6.672   3.791
  143   1HZ   LYS  18          HZ1       LYS  18  -9.403  -7.276   1.785
  144   2HZ   LYS  18          HZ2       LYS  18  -9.541  -8.839   2.436
  145   3HZ   LYS  18          HZ3       LYS  18  -8.039  -8.045   2.438
  146    H    GLU  19           HN       GLU  19  -4.923  -3.989   5.343
  147    HA   GLU  19           HA       GLU  19  -6.566  -3.646   7.750
  148   1HB   GLU  19          HB2       GLU  19  -3.809  -4.611   7.033
  149   2HB   GLU  19          HB1       GLU  19  -4.201  -4.293   8.722
  150   1HG   GLU  19          HG2       GLU  19  -6.393  -5.736   7.680
  151   2HG   GLU  19          HG1       GLU  19  -4.947  -6.555   7.087
  152    H    ALA  20           HN       ALA  20  -4.333  -1.717   5.939
  153    HA   ALA  20           HA       ALA  20  -3.431  -0.036   8.145
  154   1HB   ALA  20          HB1       ALA  20  -3.080   1.360   5.784
  155   2HB   ALA  20          HB2       ALA  20  -3.122  -0.316   5.235
  156   3HB   ALA  20          HB3       ALA  20  -1.940   0.187   6.443
  157    H    ILE  21           HN       ILE  21  -5.665   0.540   5.391
  158    HA   ILE  21           HA       ILE  21  -6.903   2.749   6.997
  159    HB   ILE  21           HB       ILE  21  -7.667   3.452   4.645
  160   1HG1  ILE  21          HG12      ILE  21  -5.489   1.516   3.813
  161   2HG1  ILE  21          HG11      ILE  21  -7.207   1.133   3.701
  162   1HG2  ILE  21          HG21      ILE  21  -4.666   3.298   5.010
  163   2HG2  ILE  21          HG22      ILE  21  -5.686   4.380   5.959
  164   3HG2  ILE  21          HG23      ILE  21  -5.593   4.565   4.207
  165   1HD1  ILE  21          HD11      ILE  21  -5.895   3.536   2.398
  166   2HD1  ILE  21          HD12      ILE  21  -7.577   3.033   2.218
  167   3HD1  ILE  21          HD13      ILE  21  -6.281   2.030   1.563
  168    H    GLY  22           HN       GLY  22  -7.575  -0.128   5.030
  169   1HA   GLY  22          HA2       GLY  22  -9.506  -1.520   5.824
  170   2HA   GLY  22          HA1       GLY  22 -10.398  -0.010   6.017
  171    H    LYS  23           HN       LYS  23  -8.280  -0.456   3.280
  172    HA   LYS  23           HA       LYS  23 -10.697  -0.759   1.525
  173   1HB   LYS  23          HB2       LYS  23  -8.917   1.383   1.800
  174   2HB   LYS  23          HB1       LYS  23  -8.382   0.564   0.334
  175   1HG   LYS  23          HG2       LYS  23 -11.184   1.555   0.932
  176   2HG   LYS  23          HG1       LYS  23 -10.070   2.208  -0.269
  177   1HD   LYS  23          HD2       LYS  23 -10.225   0.269  -1.629
  178   2HD   LYS  23          HD1       LYS  23 -10.956  -0.677  -0.333
  179   1HE   LYS  23          HE2       LYS  23 -12.507   1.733  -0.969
  180   2HE   LYS  23          HE1       LYS  23 -12.374   0.609  -2.336
  181   1HZ   LYS  23          HZ1       LYS  23 -14.192  -0.082  -0.948
  182   2HZ   LYS  23          HZ2       LYS  23 -13.207  -0.063   0.437
  183   3HZ   LYS  23          HZ3       LYS  23 -12.934  -1.208  -0.789
  184    H    ALA  24           HN       ALA  24  -8.845  -0.813  -0.815
  185    HA   ALA  24           HA       ALA  24  -7.077  -3.113  -0.489
  186   1HB   ALA  24          HB1       ALA  24  -9.865  -3.523  -0.785
  187   2HB   ALA  24          HB2       ALA  24  -8.595  -4.745  -0.861
  188   3HB   ALA  24          HB3       ALA  24  -9.138  -3.945  -2.335
  189    H    ALA  25           HN       ALA  25  -6.588  -0.599  -1.601
  190    HA   ALA  25           HA       ALA  25  -6.031  -1.326  -4.430
  191   1HB   ALA  25          HB1       ALA  25  -7.233   0.491  -5.308
  192   2HB   ALA  25          HB2       ALA  25  -7.229   1.356  -3.772
  193   3HB   ALA  25          HB3       ALA  25  -8.282  -0.040  -3.994
  194    H    GLY  26           HN       GLY  26  -3.910  -1.378  -3.005
  195   1HA   GLY  26          HA2       GLY  26  -2.702   1.358  -3.106
  196   2HA   GLY  26          HA1       GLY  26  -2.335   0.233  -1.797
  197    H    LYS  27           HN       LYS  27  -0.315   1.298  -3.466
  198    HA   LYS  27           HA       LYS  27   0.535  -1.165  -4.957
  199   1HB   LYS  27          HB2       LYS  27   0.915   1.774  -5.620
  200   2HB   LYS  27          HB1       LYS  27   1.629   0.445  -6.535
  201   1HG   LYS  27          HG2       LYS  27  -0.272   0.445  -7.758
  202   2HG   LYS  27          HG1       LYS  27  -1.051  -0.269  -6.345
  203   1HD   LYS  27          HD2       LYS  27  -2.221   1.612  -5.933
  204   2HD   LYS  27          HD1       LYS  27  -0.776   2.615  -6.063
  205   1HE   LYS  27          HE2       LYS  27  -1.111   2.050  -8.677
  206   2HE   LYS  27          HE1       LYS  27  -2.802   1.947  -8.145
  207   1HZ   LYS  27          HZ1       LYS  27  -2.285   4.227  -8.655
  208   2HZ   LYS  27          HZ2       LYS  27  -0.921   4.194  -7.645
  209   3HZ   LYS  27          HZ3       LYS  27  -2.479   4.077  -6.977
  210    H    CYS  28           HN       CYS  28   3.131  -0.378  -5.525
  211    HA   CYS  28           HA       CYS  28   4.355   0.314  -2.883
  212   1HB   CYS  28          HB2       CYS  28   4.226  -2.124  -3.090
  213   2HB   CYS  28          HB1       CYS  28   4.972  -2.050  -4.685
  214    H    MET  29           HN       MET  29   5.562   2.118  -3.353
  215    HA   MET  29           HA       MET  29   7.438   2.007  -5.663
  216   1HB   MET  29          HB2       MET  29   5.096   3.815  -5.246
  217   2HB   MET  29          HB1       MET  29   6.552   4.526  -5.943
  218   1HG   MET  29          HG2       MET  29   5.666   1.917  -7.070
  219   2HG   MET  29          HG1       MET  29   4.676   3.326  -7.454
  220   1HE   MET  29          HE1       MET  29   8.822   2.202  -8.867
  221   2HE   MET  29          HE2       MET  29   7.582   1.249  -8.057
  222   3HE   MET  29          HE3       MET  29   8.570   2.370  -7.125
  223    H    ASN  30           HN       ASN  30   9.333   3.225  -5.273
  224    HA   ASN  30           HA       ASN  30  10.947   4.358  -3.966
  225   1HB   ASN  30          HB2       ASN  30   8.797   5.937  -4.239
  226   2HB   ASN  30          HB1       ASN  30   8.727   5.712  -2.491
  227   1HD2  ASN  30          HD21      ASN  30  11.805   5.366  -2.528
  228   2HD2  ASN  30          HD22      ASN  30  12.386   6.959  -2.620
  229    H    GLY  31           HN       GLY  31   9.793   1.805  -2.978
  230   1HA   GLY  31          HA2       GLY  31   9.890   0.494  -1.035
  231   2HA   GLY  31          HA1       GLY  31  10.951   1.739  -0.374
  232    H    LYS  32           HN       LYS  32   7.632   2.279  -1.460
  233    HA   LYS  32           HA       LYS  32   6.747   2.530   1.381
  234   1HB   LYS  32          HB2       LYS  32   6.666   4.630  -0.806
  235   2HB   LYS  32          HB1       LYS  32   5.746   4.762   0.692
  236   1HG   LYS  32          HG2       LYS  32   7.695   4.906   2.019
  237   2HG   LYS  32          HG1       LYS  32   8.720   4.264   0.735
  238   1HD   LYS  32          HD2       LYS  32   9.076   6.322  -0.104
  239   2HD   LYS  32          HD1       LYS  32   7.345   6.654  -0.159
  240   1HE   LYS  32          HE2       LYS  32   7.404   7.852   1.780
  241   2HE   LYS  32          HE1       LYS  32   8.481   6.681   2.567
  242   1HZ   LYS  32          HZ1       LYS  32  10.285   7.510   1.116
  243   2HZ   LYS  32          HZ2       LYS  32   9.702   8.695   2.186
  244   3HZ   LYS  32          HZ3       LYS  32   9.246   8.725   0.550
  245    H    CYS  33           HN       CYS  33   4.367   2.551   1.557
  246    HA   CYS  33           HA       CYS  33   3.098   0.989  -0.625
  247   1HB   CYS  33          HB2       CYS  33   3.127   0.544   1.960
  248   2HB   CYS  33          HB1       CYS  33   1.846   1.751   2.006
  249    H    LYS  34           HN       LYS  34   1.861   2.057  -2.112
  250    HA   LYS  34           HA       LYS  34   0.898   4.806  -1.489
  251   1HB   LYS  34          HB2       LYS  34   1.180   3.163  -4.023
  252   2HB   LYS  34          HB1       LYS  34   0.532   4.803  -3.990
  253   1HG   LYS  34          HG2       LYS  34   2.952   4.849  -2.507
  254   2HG   LYS  34          HG1       LYS  34   3.283   3.967  -3.998
  255   1HD   LYS  34          HD2       LYS  34   1.652   6.430  -4.284
  256   2HD   LYS  34          HD1       LYS  34   3.342   6.670  -3.843
  257   1HE   LYS  34          HE2       LYS  34   4.134   5.743  -5.836
  258   2HE   LYS  34          HE1       LYS  34   2.668   4.773  -6.081
  259   1HZ   LYS  34          HZ1       LYS  34   2.981   7.706  -6.372
  260   2HZ   LYS  34          HZ2       LYS  34   1.458   6.963  -6.234
  261   3HZ   LYS  34          HZ3       LYS  34   2.473   6.592  -7.546
  262    H    CYS  35           HN       CYS  35  -0.991   4.321  -0.232
  263    HA   CYS  35           HA       CYS  35  -2.995   2.422  -1.244
  264   1HB   CYS  35          HB2       CYS  35  -2.620   4.240   1.122
  265   2HB   CYS  35          HB1       CYS  35  -4.206   3.532   0.811
  266    H    TYR  36           HN       TYR  36  -5.035   3.002  -2.080
  267    HA   TYR  36           HA       TYR  36  -5.529   5.906  -2.613
  268   1HB   TYR  36          HB2       TYR  36  -5.004   3.670  -4.463
  269   2HB   TYR  36          HB1       TYR  36  -6.431   4.621  -4.876
  270    HD1  TYR  36           HD1      TYR  36  -2.846   5.046  -3.852
  271    HD2  TYR  36           HD2      TYR  36  -6.180   6.621  -6.054
  272    HE1  TYR  36           HE1      TYR  36  -1.397   6.841  -4.764
  273    HE2  TYR  36           HE2      TYR  36  -4.733   8.415  -6.966
  274    HH   TYR  36           HH       TYR  36  -2.636   9.576  -6.344
  275    HA   PRO  37           HA       PRO  37  -9.245   3.958  -0.710
  276   1HB   PRO  37          HB2       PRO  37 -10.042   6.648  -0.072
  277   2HB   PRO  37          HB1       PRO  37  -9.484   5.388   1.032
  278   1HG   PRO  37          HG2       PRO  37  -8.082   7.754   0.208
  279   2HG   PRO  37          HG1       PRO  37  -7.528   6.492   1.312
  280   1HD   PRO  37          HD2       PRO  37  -6.611   7.019  -1.370
  281   2HD   PRO  37          HD1       PRO  37  -6.068   5.732  -0.264
  Start of MODEL    9
    1   1H    VAL   1          HT1       VAL   1  -2.566   9.047   0.958
    2   2H    VAL   1          HT2       VAL   1  -1.056   9.716   1.357
    3   3H    VAL   1          HT3       VAL   1  -2.484  10.433   1.933
    4    HA   VAL   1           HA       VAL   1  -1.579   9.231   3.756
    5    HB   VAL   1           HB       VAL   1  -4.030   9.141   3.235
    6   1HG1  VAL   1          HG11      VAL   1  -3.063   7.078   1.423
    7   2HG1  VAL   1          HG12      VAL   1  -4.629   7.888   1.455
    8   3HG1  VAL   1          HG13      VAL   1  -4.349   6.468   2.464
    9   1HG2  VAL   1          HG21      VAL   1  -2.485   7.270   4.848
   10   2HG2  VAL   1          HG22      VAL   1  -4.032   6.577   4.361
   11   3HG2  VAL   1          HG23      VAL   1  -3.987   8.104   5.244
   12    H    PHE   2           HN       PHE   2   0.400   8.538   1.957
   13    HA   PHE   2           HA       PHE   2   0.387   5.602   1.593
   14   1HB   PHE   2          HB2       PHE   2   2.392   7.793   0.963
   15   2HB   PHE   2          HB1       PHE   2   2.548   6.114   0.454
   16    HD1  PHE   2           HD1      PHE   2  -0.871   6.662   0.446
   17    HD2  PHE   2           HD2      PHE   2   2.652   7.772  -1.753
   18    HE1  PHE   2           HE1      PHE   2  -2.264   7.133  -1.549
   19    HE2  PHE   2           HE2      PHE   2   1.255   8.239  -3.745
   20    HZ   PHE   2           HZ       PHE   2  -1.201   7.922  -3.644
   21    H    ILE   3           HN       ILE   3   2.028   4.238   2.564
   22    HA   ILE   3           HA       ILE   3   3.153   5.363   5.109
   23    HB   ILE   3           HB       ILE   3   2.937   3.079   5.951
   24   1HG1  ILE   3          HG12      ILE   3   1.994   2.420   3.141
   25   2HG1  ILE   3          HG11      ILE   3   3.526   1.915   3.855
   26   1HG2  ILE   3          HG21      ILE   3   0.874   3.970   6.367
   27   2HG2  ILE   3          HG22      ILE   3   0.355   2.803   5.151
   28   3HG2  ILE   3          HG23      ILE   3   0.646   4.483   4.695
   29   1HD1  ILE   3          HD11      ILE   3   2.355   0.049   4.441
   30   2HD1  ILE   3          HD12      ILE   3   0.797   0.866   4.310
   31   3HD1  ILE   3          HD13      ILE   3   1.776   1.062   5.763
   32    H    ASN   4           HN       ASN   4   5.331   4.766   5.649
   33    HA   ASN   4           HA       ASN   4   7.120   4.454   3.380
   34   1HB   ASN   4          HB2       ASN   4   8.815   4.464   5.257
   35   2HB   ASN   4          HB1       ASN   4   7.697   5.828   5.289
   36   1HD2  ASN   4          HD21      ASN   4   8.210   2.578   6.734
   37   2HD2  ASN   4          HD22      ASN   4   7.382   2.922   8.176
   38    H    ALA   5           HN       ALA   5   5.278   2.193   5.001
   39    HA   ALA   5           HA       ALA   5   6.816   0.013   5.704
   40   1HB   ALA   5          HB1       ALA   5   4.920  -1.324   4.648
   41   2HB   ALA   5          HB2       ALA   5   4.316   0.202   4.002
   42   3HB   ALA   5          HB3       ALA   5   4.411  -0.042   5.747
   43    H    LYS   6           HN       LYS   6   8.583  -0.842   4.677
   44    HA   LYS   6           HA       LYS   6   9.250  -0.413   1.927
   45   1HB   LYS   6          HB2       LYS   6  10.577  -1.148   4.092
   46   2HB   LYS   6          HB1       LYS   6  10.222  -2.770   3.495
   47   1HG   LYS   6          HG2       LYS   6  11.053  -1.562   1.200
   48   2HG   LYS   6          HG1       LYS   6  12.037  -0.711   2.390
   49   1HD   LYS   6          HD2       LYS   6  11.830  -3.726   2.122
   50   2HD   LYS   6          HD1       LYS   6  13.185  -2.743   1.569
   51   1HE   LYS   6          HE2       LYS   6  12.263  -2.658   4.450
   52   2HE   LYS   6          HE1       LYS   6  13.454  -3.846   3.883
   53   1HZ   LYS   6          HZ1       LYS   6  13.634  -0.898   3.850
   54   2HZ   LYS   6          HZ2       LYS   6  14.559  -1.837   2.778
   55   3HZ   LYS   6          HZ3       LYS   6  14.753  -2.020   4.455
   56    H    CYS   7           HN       CYS   7   6.920  -1.122   1.213
   57    HA   CYS   7           HA       CYS   7   5.961  -3.749   1.187
   58   1HB   CYS   7          HB2       CYS   7   5.071  -3.039  -1.125
   59   2HB   CYS   7          HB1       CYS   7   4.673  -1.986   0.230
   60    H    ARG   8           HN       ARG   8   6.211  -5.491  -0.405
   61    HA   ARG   8           HA       ARG   8   8.985  -5.941  -1.170
   62   1HB   ARG   8          HB2       ARG   8   6.365  -7.409  -1.550
   63   2HB   ARG   8          HB1       ARG   8   7.903  -8.054  -2.123
   64   1HG   ARG   8          HG2       ARG   8   7.818  -7.100   0.696
   65   2HG   ARG   8          HG1       ARG   8   6.948  -8.591   0.336
   66   1HD   ARG   8          HD2       ARG   8   9.614  -8.489  -0.909
   67   2HD   ARG   8          HD1       ARG   8   9.656  -8.456   0.866
   68    HE   ARG   8           HE       ARG   8   7.734 -10.392   0.159
   69   1HH1  ARG   8          HH11      ARG   8  10.626 -10.086  -1.475
   70   2HH1  ARG   8          HH12      ARG   8  11.265 -11.628  -1.014
   71   1HH2  ARG   8          HH21      ARG   8   8.759 -12.276   1.293
   72   2HH2  ARG   8          HH22      ARG   8  10.214 -12.862   0.559
   73    H    GLY   9           HN       GLY   9   6.264  -4.488  -2.719
   74   1HA   GLY   9          HA2       GLY   9   7.429  -3.402  -4.906
   75   2HA   GLY   9          HA1       GLY   9   7.235  -5.072  -5.439
   76    H    SER  10           HN       SER  10   4.706  -5.249  -3.741
   77    HA   SER  10           HA       SER  10   2.743  -3.386  -4.527
   78   1HB   SER  10          HB2       SER  10   3.801  -5.059  -6.669
   79   2HB   SER  10          HB1       SER  10   2.055  -5.234  -6.507
   80    HG   SER  10           HG       SER  10   1.838  -3.293  -7.273
   81    HA   PRO  11           HA       PRO  11   0.536  -7.685  -3.919
   82   1HB   PRO  11          HB2       PRO  11   2.586  -9.548  -3.135
   83   2HB   PRO  11          HB1       PRO  11   1.525  -9.622  -4.546
   84   1HG   PRO  11          HG2       PRO  11   4.339  -9.007  -4.468
   85   2HG   PRO  11          HG1       PRO  11   3.287  -9.138  -5.881
   86   1HD   PRO  11          HD2       PRO  11   4.427  -6.758  -4.780
   87   2HD   PRO  11          HD1       PRO  11   3.278  -6.875  -6.133
   88    H    GLU  12           HN       GLU  12   3.149  -6.306  -2.148
   89    HA   GLU  12           HA       GLU  12   2.181  -7.388   0.450
   90   1HB   GLU  12          HB2       GLU  12   4.668  -6.614  -0.686
   91   2HB   GLU  12          HB1       GLU  12   4.333  -5.478   0.622
   92   1HG   GLU  12          HG2       GLU  12   4.139  -8.489   0.911
   93   2HG   GLU  12          HG1       GLU  12   5.558  -7.545   1.370
   94    H    CYS  13           HN       CYS  13   2.304  -4.432  -1.456
   95    HA   CYS  13           HA       CYS  13   1.495  -2.643   0.690
   96   1HB   CYS  13          HB2       CYS  13   2.670  -1.720  -1.157
   97   2HB   CYS  13          HB1       CYS  13   1.653  -2.557  -2.327
   98    H    LEU  14           HN       LEU  14  -0.187  -4.551  -1.786
   99    HA   LEU  14           HA       LEU  14  -2.763  -3.369  -1.576
  100   1HB   LEU  14          HB2       LEU  14  -1.487  -5.763  -2.638
  101   2HB   LEU  14          HB1       LEU  14  -3.108  -6.109  -2.037
  102    HG   LEU  14           HG       LEU  14  -3.308  -5.434  -4.350
  103   1HD1  LEU  14          HD11      LEU  14  -5.136  -4.223  -3.849
  104   2HD1  LEU  14          HD12      LEU  14  -4.141  -2.842  -3.382
  105   3HD1  LEU  14          HD13      LEU  14  -4.535  -4.087  -2.196
  106   1HD2  LEU  14          HD21      LEU  14  -1.707  -3.004  -3.484
  107   2HD2  LEU  14          HD22      LEU  14  -2.477  -3.180  -5.062
  108   3HD2  LEU  14          HD23      LEU  14  -1.172  -4.270  -4.590
  109    HA   PRO  15           HA       PRO  15  -3.762  -6.758   1.767
  110   1HB   PRO  15          HB2       PRO  15  -1.240  -7.544   2.911
  111   2HB   PRO  15          HB1       PRO  15  -2.410  -8.559   2.062
  112   1HG   PRO  15          HG2       PRO  15   0.158  -7.644   1.127
  113   2HG   PRO  15          HG1       PRO  15  -0.986  -8.710   0.310
  114   1HD   PRO  15          HD2       PRO  15  -0.349  -6.005  -0.371
  115   2HD   PRO  15          HD1       PRO  15  -1.588  -7.043  -1.115
  116    H    LYS  16           HN       LYS  16  -0.627  -5.123   2.365
  117    HA   LYS  16           HA       LYS  16  -1.051  -4.270   5.018
  118   1HB   LYS  16          HB2       LYS  16   0.461  -3.298   2.615
  119   2HB   LYS  16          HB1       LYS  16   0.403  -2.259   4.039
  120   1HG   LYS  16          HG2       LYS  16   0.929  -4.911   4.938
  121   2HG   LYS  16          HG1       LYS  16   2.029  -4.576   3.601
  122   1HD   LYS  16          HD2       LYS  16   3.002  -2.742   4.687
  123   2HD   LYS  16          HD1       LYS  16   1.620  -2.524   5.762
  124   1HE   LYS  16          HE2       LYS  16   3.380  -4.991   5.870
  125   2HE   LYS  16          HE1       LYS  16   3.675  -3.552   6.866
  126   1HZ   LYS  16          HZ1       LYS  16   1.247  -5.253   6.798
  127   2HZ   LYS  16          HZ2       LYS  16   1.253  -3.700   7.488
  128   3HZ   LYS  16          HZ3       LYS  16   2.247  -4.921   8.128
  129    H    CYS  17           HN       CYS  17  -2.226  -2.930   1.963
  130    HA   CYS  17           HA       CYS  17  -3.300  -0.473   3.026
  131   1HB   CYS  17          HB2       CYS  17  -2.774  -1.301   0.597
  132   2HB   CYS  17          HB1       CYS  17  -4.395  -1.993   0.662
  133    H    LYS  18           HN       LYS  18  -4.710  -3.688   2.382
  134    HA   LYS  18           HA       LYS  18  -7.403  -3.174   3.051
  135   1HB   LYS  18          HB2       LYS  18  -6.482  -5.254   2.072
  136   2HB   LYS  18          HB1       LYS  18  -5.674  -5.612   3.599
  137   1HG   LYS  18          HG2       LYS  18  -7.584  -6.358   4.569
  138   2HG   LYS  18          HG1       LYS  18  -8.550  -5.053   3.877
  139   1HD   LYS  18          HD2       LYS  18  -7.732  -6.713   1.720
  140   2HD   LYS  18          HD1       LYS  18  -8.337  -7.776   2.991
  141   1HE   LYS  18          HE2       LYS  18 -10.035  -5.423   2.686
  142   2HE   LYS  18          HE1       LYS  18  -9.914  -6.349   1.176
  143   1HZ   LYS  18          HZ1       LYS  18 -11.588  -7.088   3.012
  144   2HZ   LYS  18          HZ2       LYS  18 -10.212  -7.784   3.725
  145   3HZ   LYS  18          HZ3       LYS  18 -10.692  -8.251   2.164
  146    H    GLU  19           HN       GLU  19  -4.587  -3.690   5.118
  147    HA   GLU  19           HA       GLU  19  -6.225  -3.724   7.582
  148   1HB   GLU  19          HB2       GLU  19  -3.328  -4.036   6.815
  149   2HB   GLU  19          HB1       GLU  19  -3.765  -3.777   8.503
  150   1HG   GLU  19          HG2       GLU  19  -5.542  -5.744   7.473
  151   2HG   GLU  19          HG1       GLU  19  -3.913  -6.203   6.975
  152    H    ALA  20           HN       ALA  20  -4.603  -1.434   5.577
  153    HA   ALA  20           HA       ALA  20  -4.081   0.534   7.689
  154   1HB   ALA  20          HB1       ALA  20  -4.213   1.217   4.782
  155   2HB   ALA  20          HB2       ALA  20  -3.007   0.032   5.286
  156   3HB   ALA  20          HB3       ALA  20  -2.994   1.654   5.980
  157    H    ILE  21           HN       ILE  21  -6.359   0.328   4.916
  158    HA   ILE  21           HA       ILE  21  -8.163   2.201   6.418
  159    HB   ILE  21           HB       ILE  21  -8.768   2.962   4.026
  160   1HG1  ILE  21          HG12      ILE  21  -6.108   1.620   3.452
  161   2HG1  ILE  21          HG11      ILE  21  -7.670   0.977   2.945
  162   1HG2  ILE  21          HG21      ILE  21  -6.563   3.632   5.764
  163   2HG2  ILE  21          HG22      ILE  21  -7.524   4.697   4.737
  164   3HG2  ILE  21          HG23      ILE  21  -6.098   3.892   4.082
  165   1HD1  ILE  21          HD11      ILE  21  -8.085   3.189   1.779
  166   2HD1  ILE  21          HD12      ILE  21  -6.791   2.218   1.082
  167   3HD1  ILE  21          HD13      ILE  21  -6.403   3.596   2.110
  168    H    GLY  22           HN       GLY  22  -7.819  -0.847   4.935
  169   1HA   GLY  22          HA2       GLY  22  -9.436  -2.587   4.874
  170   2HA   GLY  22          HA1       GLY  22 -10.672  -1.413   5.331
  171    H    LYS  23           HN       LYS  23  -8.447  -0.929   2.649
  172    HA   LYS  23           HA       LYS  23 -10.606  -1.575   0.697
  173   1HB   LYS  23          HB2       LYS  23  -9.854   1.028   1.644
  174   2HB   LYS  23          HB1       LYS  23  -9.386   0.895  -0.051
  175   1HG   LYS  23          HG2       LYS  23 -11.933  -0.298   0.123
  176   2HG   LYS  23          HG1       LYS  23 -12.033   1.178   1.085
  177   1HD   LYS  23          HD2       LYS  23 -10.943   2.387  -0.867
  178   2HD   LYS  23          HD1       LYS  23 -11.193   0.918  -1.811
  179   1HE   LYS  23          HE2       LYS  23 -13.634   1.046  -1.343
  180   2HE   LYS  23          HE1       LYS  23 -13.365   2.563  -0.460
  181   1HZ   LYS  23          HZ1       LYS  23 -13.830   3.222  -2.648
  182   2HZ   LYS  23          HZ2       LYS  23 -12.867   1.996  -3.324
  183   3HZ   LYS  23          HZ3       LYS  23 -12.140   3.311  -2.531
  184    H    ALA  24           HN       ALA  24  -9.424  -3.155  -0.389
  185    HA   ALA  24           HA       ALA  24  -6.593  -3.075  -0.860
  186   1HB   ALA  24          HB1       ALA  24  -8.525  -4.485  -2.674
  187   2HB   ALA  24          HB2       ALA  24  -8.457  -4.957  -0.976
  188   3HB   ALA  24          HB3       ALA  24  -7.014  -5.075  -1.982
  189    H    ALA  25           HN       ALA  25  -6.904  -0.605  -1.575
  190    HA   ALA  25           HA       ALA  25  -6.957  -0.600  -4.569
  191   1HB   ALA  25          HB1       ALA  25  -7.889   1.830  -3.165
  192   2HB   ALA  25          HB2       ALA  25  -8.925   0.419  -2.953
  193   3HB   ALA  25          HB3       ALA  25  -8.572   1.019  -4.574
  194    H    GLY  26           HN       GLY  26  -4.597  -0.600  -4.481
  195   1HA   GLY  26          HA2       GLY  26  -3.389   1.967  -4.497
  196   2HA   GLY  26          HA1       GLY  26  -3.067   1.236  -2.925
  197    H    LYS  27           HN       LYS  27  -0.795   1.557  -4.054
  198    HA   LYS  27           HA       LYS  27   0.001  -1.127  -5.039
  199   1HB   LYS  27          HB2       LYS  27   0.671   1.421  -6.543
  200   2HB   LYS  27          HB1       LYS  27   1.002  -0.234  -7.052
  201   1HG   LYS  27          HG2       LYS  27  -1.494  -0.649  -7.020
  202   2HG   LYS  27          HG1       LYS  27  -1.709   1.086  -6.773
  203   1HD   LYS  27          HD2       LYS  27   0.002   1.114  -8.880
  204   2HD   LYS  27          HD1       LYS  27  -0.866  -0.386  -9.205
  205   1HE   LYS  27          HE2       LYS  27  -2.024   1.505 -10.285
  206   2HE   LYS  27          HE1       LYS  27  -3.030   0.866  -8.970
  207   1HZ   LYS  27          HZ1       LYS  27  -2.506   3.403  -9.079
  208   2HZ   LYS  27          HZ2       LYS  27  -1.033   2.937  -8.373
  209   3HZ   LYS  27          HZ3       LYS  27  -2.500   2.599  -7.586
  210    H    CYS  28           HN       CYS  28   2.550  -1.040  -5.376
  211    HA   CYS  28           HA       CYS  28   3.687   0.488  -3.061
  212   1HB   CYS  28          HB2       CYS  28   3.861  -1.823  -2.628
  213   2HB   CYS  28          HB1       CYS  28   4.189  -2.205  -4.315
  214    H    MET  29           HN       MET  29   5.474   1.801  -3.438
  215    HA   MET  29           HA       MET  29   6.933   1.600  -6.008
  216   1HB   MET  29          HB2       MET  29   6.358   3.824  -6.688
  217   2HB   MET  29          HB1       MET  29   4.838   3.063  -6.217
  218   1HG   MET  29          HG2       MET  29   4.597   4.961  -4.967
  219   2HG   MET  29          HG1       MET  29   5.612   4.080  -3.826
  220   1HE   MET  29          HE1       MET  29   5.299   6.413  -6.694
  221   2HE   MET  29          HE2       MET  29   6.753   5.688  -7.373
  222   3HE   MET  29          HE3       MET  29   6.796   7.349  -6.789
  223    H    ASN  30           HN       ASN  30   9.083   2.031  -5.634
  224    HA   ASN  30           HA       ASN  30  11.041   2.730  -4.514
  225   1HB   ASN  30          HB2       ASN  30   9.335   4.850  -4.793
  226   2HB   ASN  30          HB1       ASN  30   9.584   4.844  -3.046
  227   1HD2  ASN  30          HD21      ASN  30  11.278   6.224  -2.508
  228   2HD2  ASN  30          HD22      ASN  30  12.704   6.417  -3.407
  229    H    GLY  31           HN       GLY  31   9.521   0.657  -3.222
  230   1HA   GLY  31          HA2       GLY  31   9.506  -0.456  -1.156
  231   2HA   GLY  31          HA1       GLY  31  10.666   0.747  -0.593
  232    H    LYS  32           HN       LYS  32   7.506   1.636  -1.846
  233    HA   LYS  32           HA       LYS  32   6.555   2.174   0.941
  234   1HB   LYS  32          HB2       LYS  32   6.406   4.111  -1.391
  235   2HB   LYS  32          HB1       LYS  32   6.010   4.445   0.296
  236   1HG   LYS  32          HG2       LYS  32   8.547   3.554   0.594
  237   2HG   LYS  32          HG1       LYS  32   8.665   4.255  -1.020
  238   1HD   LYS  32          HD2       LYS  32   7.374   5.780   1.237
  239   2HD   LYS  32          HD1       LYS  32   9.123   5.806   1.007
  240   1HE   LYS  32          HE2       LYS  32   8.785   7.465  -0.506
  241   2HE   LYS  32          HE1       LYS  32   8.051   6.240  -1.561
  242   1HZ   LYS  32          HZ1       LYS  32   6.283   7.645  -1.269
  243   2HZ   LYS  32          HZ2       LYS  32   6.753   8.109   0.296
  244   3HZ   LYS  32          HZ3       LYS  32   6.033   6.592   0.036
  245    H    CYS  33           HN       CYS  33   4.192   2.325   1.066
  246    HA   CYS  33           HA       CYS  33   2.846   0.977  -1.250
  247   1HB   CYS  33          HB2       CYS  33   2.867  -0.316   0.787
  248   2HB   CYS  33          HB1       CYS  33   2.311   1.064   1.732
  249    H    LYS  34           HN       LYS  34   1.285   2.113  -2.318
  250    HA   LYS  34           HA       LYS  34   0.403   4.739  -1.201
  251   1HB   LYS  34          HB2       LYS  34  -0.140   3.643  -3.962
  252   2HB   LYS  34          HB1       LYS  34   0.008   5.326  -3.462
  253   1HG   LYS  34          HG2       LYS  34   2.388   5.110  -3.163
  254   2HG   LYS  34          HG1       LYS  34   2.313   3.360  -3.369
  255   1HD   LYS  34          HD2       LYS  34   2.991   4.044  -5.492
  256   2HD   LYS  34          HD1       LYS  34   1.241   3.959  -5.692
  257   1HE   LYS  34          HE2       LYS  34   1.489   6.514  -4.777
  258   2HE   LYS  34          HE1       LYS  34   3.018   6.336  -5.661
  259   1HZ   LYS  34          HZ1       LYS  34   1.963   6.150  -7.615
  260   2HZ   LYS  34          HZ2       LYS  34   0.637   6.852  -6.822
  261   3HZ   LYS  34          HZ3       LYS  34   0.736   5.165  -6.987
  262    H    CYS  35           HN       CYS  35  -1.828   5.156  -0.883
  263    HA   CYS  35           HA       CYS  35  -3.796   3.049  -1.603
  264   1HB   CYS  35          HB2       CYS  35  -2.958   3.916   1.161
  265   2HB   CYS  35          HB1       CYS  35  -4.563   3.242   0.877
  266    H    TYR  36           HN       TYR  36  -5.874   3.912  -1.903
  267    HA   TYR  36           HA       TYR  36  -6.088   6.859  -1.905
  268   1HB   TYR  36          HB2       TYR  36  -7.885   4.593  -2.819
  269   2HB   TYR  36          HB1       TYR  36  -8.238   6.301  -3.080
  270    HD1  TYR  36           HD1      TYR  36  -6.372   3.422  -4.224
  271    HD2  TYR  36           HD2      TYR  36  -6.596   7.708  -4.412
  272    HE1  TYR  36           HE1      TYR  36  -4.934   3.409  -6.243
  273    HE2  TYR  36           HE2      TYR  36  -5.158   7.694  -6.431
  274    HH   TYR  36           HH       TYR  36  -4.654   5.917  -8.318
  275    HA   PRO  37           HA       PRO  37  -8.035   6.708   2.148
  276   1HB   PRO  37          HB2       PRO  37  -8.977   9.392   1.726
  277   2HB   PRO  37          HB1       PRO  37  -7.622   8.860   2.725
  278   1HG   PRO  37          HG2       PRO  37  -7.520  10.262   0.222
  279   2HG   PRO  37          HG1       PRO  37  -6.169   9.733   1.228
  280   1HD   PRO  37          HD2       PRO  37  -7.012   8.649  -1.306
  281   2HD   PRO  37          HD1       PRO  37  -5.663   8.103  -0.280
  Start of MODEL   10
    1   1H    VAL   1          HT1       VAL   1  -0.691  10.106   1.834
    2   2H    VAL   1          HT2       VAL   1  -2.180  10.811   2.243
    3   3H    VAL   1          HT3       VAL   1  -2.119   9.540   1.118
    4    HA   VAL   1           HA       VAL   1  -1.584   9.378   4.039
    5    HB   VAL   1           HB       VAL   1  -3.930   9.505   3.246
    6   1HG1  VAL   1          HG11      VAL   1  -4.588   7.302   1.917
    7   2HG1  VAL   1          HG12      VAL   1  -2.908   7.389   1.390
    8   3HG1  VAL   1          HG13      VAL   1  -4.004   8.730   1.061
    9   1HG2  VAL   1          HG21      VAL   1  -2.752   7.449   4.813
   10   2HG2  VAL   1          HG22      VAL   1  -4.002   6.685   3.833
   11   3HG2  VAL   1          HG23      VAL   1  -4.412   8.038   4.889
   12    H    PHE   2           HN       PHE   2   0.592   8.752   2.417
   13    HA   PHE   2           HA       PHE   2   0.487   5.844   1.827
   14   1HB   PHE   2          HB2       PHE   2   2.639   7.964   1.517
   15   2HB   PHE   2          HB1       PHE   2   2.745   6.318   0.897
   16    HD1  PHE   2           HD1      PHE   2  -0.482   6.498   0.388
   17    HD2  PHE   2           HD2      PHE   2   2.986   8.694  -0.887
   18    HE1  PHE   2           HE1      PHE   2  -1.676   7.192  -1.670
   19    HE2  PHE   2           HE2      PHE   2   1.790   9.387  -2.943
   20    HZ   PHE   2           HZ       PHE   2  -0.541   8.638  -3.336
   21    H    ILE   3           HN       ILE   3   2.752   4.758   2.530
   22    HA   ILE   3           HA       ILE   3   3.350   5.517   5.363
   23    HB   ILE   3           HB       ILE   3   3.397   2.644   4.945
   24   1HG1  ILE   3          HG12      ILE   3   0.679   3.948   4.577
   25   2HG1  ILE   3          HG11      ILE   3   1.608   3.244   3.253
   26   1HG2  ILE   3          HG21      ILE   3   2.790   4.547   6.939
   27   2HG2  ILE   3          HG22      ILE   3   2.845   2.793   7.116
   28   3HG2  ILE   3          HG23      ILE   3   1.325   3.591   6.712
   29   1HD1  ILE   3          HD11      ILE   3  -0.157   1.887   4.959
   30   2HD1  ILE   3          HD12      ILE   3   1.453   1.412   5.502
   31   3HD1  ILE   3          HD13      ILE   3   0.978   1.157   3.823
   32    H    ASN   4           HN       ASN   4   5.481   5.005   6.025
   33    HA   ASN   4           HA       ASN   4   7.474   4.886   3.911
   34   1HB   ASN   4          HB2       ASN   4   9.000   4.827   5.944
   35   2HB   ASN   4          HB1       ASN   4   7.862   6.173   5.917
   36   1HD2  ASN   4          HD21      ASN   4   8.644   3.125   7.526
   37   2HD2  ASN   4          HD22      ASN   4   7.529   3.301   8.794
   38    H    ALA   5           HN       ALA   5   5.676   2.503   5.549
   39    HA   ALA   5           HA       ALA   5   7.346   0.357   6.062
   40   1HB   ALA   5          HB1       ALA   5   5.258  -0.800   4.685
   41   2HB   ALA   5          HB2       ALA   5   4.602   0.793   5.067
   42   3HB   ALA   5          HB3       ALA   5   5.170  -0.261   6.362
   43    H    LYS   6           HN       LYS   6   9.104  -0.221   4.814
   44    HA   LYS   6           HA       LYS   6   9.412   0.236   2.024
   45   1HB   LYS   6          HB2       LYS   6  11.097  -0.358   3.880
   46   2HB   LYS   6          HB1       LYS   6  10.645  -2.036   3.581
   47   1HG   LYS   6          HG2       LYS   6  11.097  -1.386   1.061
   48   2HG   LYS   6          HG1       LYS   6  12.083  -0.113   1.784
   49   1HD   LYS   6          HD2       LYS   6  13.654  -1.581   2.546
   50   2HD   LYS   6          HD1       LYS   6  12.455  -2.810   2.948
   51   1HE   LYS   6          HE2       LYS   6  13.974  -3.472   1.040
   52   2HE   LYS   6          HE1       LYS   6  12.258  -3.444   0.588
   53   1HZ   LYS   6          HZ1       LYS   6  13.918  -2.175  -0.890
   54   2HZ   LYS   6          HZ2       LYS   6  13.920  -1.016   0.354
   55   3HZ   LYS   6          HZ3       LYS   6  12.474  -1.399  -0.452
   56    H    CYS   7           HN       CYS   7   7.574  -0.515   0.874
   57    HA   CYS   7           HA       CYS   7   6.504  -3.193   1.136
   58   1HB   CYS   7          HB2       CYS   7   5.195  -2.527  -0.801
   59   2HB   CYS   7          HB1       CYS   7   5.344  -1.128   0.261
   60    H    ARG   8           HN       ARG   8   6.815  -4.963  -0.366
   61    HA   ARG   8           HA       ARG   8   9.327  -4.747  -1.995
   62   1HB   ARG   8          HB2       ARG   8   8.257  -7.221  -0.619
   63   2HB   ARG   8          HB1       ARG   8   9.885  -6.945  -1.238
   64   1HG   ARG   8          HG2       ARG   8   9.825  -4.910   0.466
   65   2HG   ARG   8          HG1       ARG   8   8.606  -5.907   1.262
   66   1HD   ARG   8          HD2       ARG   8  10.187  -7.328   2.058
   67   2HD   ARG   8          HD1       ARG   8  10.934  -7.486   0.456
   68    HE   ARG   8           HE       ARG   8  11.410  -5.044   2.116
   69   1HH1  ARG   8          HH11      ARG   8  12.383  -6.844  -0.540
   70   2HH1  ARG   8          HH12      ARG   8  14.078  -6.776  -0.189
   71   1HH2  ARG   8          HH21      ARG   8  13.645  -5.347   2.940
   72   2HH2  ARG   8          HH22      ARG   8  14.792  -5.933   1.781
   73    H    GLY   9           HN       GLY   9   5.978  -5.339  -2.083
   74   1HA   GLY   9          HA2       GLY   9   6.186  -6.226  -4.879
   75   2HA   GLY   9          HA1       GLY   9   5.433  -7.388  -3.788
   76    H    SER  10           HN       SER  10   4.482  -5.447  -6.048
   77    HA   SER  10           HA       SER  10   2.692  -3.517  -5.069
   78   1HB   SER  10          HB2       SER  10   1.522  -4.983  -7.247
   79   2HB   SER  10          HB1       SER  10   2.333  -3.422  -7.292
   80    HG   SER  10           HG       SER  10   3.280  -5.222  -8.555
   81    HA   PRO  11           HA       PRO  11  -0.675  -7.021  -4.821
   82   1HB   PRO  11          HB2       PRO  11   0.734  -9.483  -4.333
   83   2HB   PRO  11          HB1       PRO  11  -0.309  -9.076  -5.700
   84   1HG   PRO  11          HG2       PRO  11   2.539  -9.371  -5.701
   85   2HG   PRO  11          HG1       PRO  11   1.498  -8.921  -7.055
   86   1HD   PRO  11          HD2       PRO  11   3.332  -7.248  -5.581
   87   2HD   PRO  11          HD1       PRO  11   2.319  -6.795  -6.975
   88    H    GLU  12           HN       GLU  12   2.268  -6.757  -3.025
   89    HA   GLU  12           HA       GLU  12   1.215  -7.911  -0.536
   90   1HB   GLU  12          HB2       GLU  12   3.606  -7.973  -1.216
   91   2HB   GLU  12          HB1       GLU  12   3.657  -6.211  -1.150
   92   1HG   GLU  12          HG2       GLU  12   3.512  -6.154   1.170
   93   2HG   GLU  12          HG1       GLU  12   2.703  -7.720   1.260
   94    H    CYS  13           HN       CYS  13   1.797  -4.667  -1.889
   95    HA   CYS  13           HA       CYS  13   1.067  -3.188   0.469
   96   1HB   CYS  13          HB2       CYS  13   1.741  -2.762  -2.334
   97   2HB   CYS  13          HB1       CYS  13   0.475  -1.654  -1.804
   98    H    LEU  14           HN       LEU  14  -0.798  -4.867  -1.944
   99    HA   LEU  14           HA       LEU  14  -3.241  -3.386  -1.784
  100   1HB   LEU  14          HB2       LEU  14  -2.220  -5.936  -2.795
  101   2HB   LEU  14          HB1       LEU  14  -3.890  -6.056  -2.247
  102    HG   LEU  14           HG       LEU  14  -4.294  -3.892  -3.600
  103   1HD1  LEU  14          HD11      LEU  14  -1.883  -4.819  -5.151
  104   2HD1  LEU  14          HD12      LEU  14  -1.707  -3.643  -3.848
  105   3HD1  LEU  14          HD13      LEU  14  -2.727  -3.273  -5.239
  106   1HD2  LEU  14          HD21      LEU  14  -5.051  -6.198  -4.245
  107   2HD2  LEU  14          HD22      LEU  14  -3.538  -6.405  -5.126
  108   3HD2  LEU  14          HD23      LEU  14  -4.692  -5.171  -5.633
  109    HA   PRO  15           HA       PRO  15  -4.573  -6.608   1.617
  110   1HB   PRO  15          HB2       PRO  15  -2.155  -7.739   2.684
  111   2HB   PRO  15          HB1       PRO  15  -3.468  -8.579   1.857
  112   1HG   PRO  15          HG2       PRO  15  -0.821  -7.991   0.869
  113   2HG   PRO  15          HG1       PRO  15  -2.105  -8.913   0.081
  114   1HD   PRO  15          HD2       PRO  15  -1.158  -6.312  -0.639
  115   2HD   PRO  15          HD1       PRO  15  -2.548  -7.185  -1.327
  116    H    LYS  16           HN       LYS  16  -1.432  -4.979   1.789
  117    HA   LYS  16           HA       LYS  16  -1.413  -4.344   4.580
  118   1HB   LYS  16          HB2       LYS  16  -0.134  -3.402   2.050
  119   2HB   LYS  16          HB1       LYS  16   0.014  -2.361   3.466
  120   1HG   LYS  16          HG2       LYS  16   0.654  -5.314   3.558
  121   2HG   LYS  16          HG1       LYS  16   1.865  -4.096   3.157
  122   1HD   LYS  16          HD2       LYS  16   1.020  -2.926   5.350
  123   2HD   LYS  16          HD1       LYS  16   0.412  -4.532   5.751
  124   1HE   LYS  16          HE2       LYS  16   2.498  -5.083   6.445
  125   2HE   LYS  16          HE1       LYS  16   3.060  -4.890   4.773
  126   1HZ   LYS  16          HZ1       LYS  16   3.699  -2.746   5.125
  127   2HZ   LYS  16          HZ2       LYS  16   3.963  -3.350   6.691
  128   3HZ   LYS  16          HZ3       LYS  16   2.551  -2.473   6.342
  129    H    CYS  17           HN       CYS  17  -2.325  -2.290   1.785
  130    HA   CYS  17           HA       CYS  17  -3.276  -0.062   3.252
  131   1HB   CYS  17          HB2       CYS  17  -4.224  -1.231   0.614
  132   2HB   CYS  17          HB1       CYS  17  -4.486   0.430   1.144
  133    H    LYS  18           HN       LYS  18  -4.981  -3.028   2.239
  134    HA   LYS  18           HA       LYS  18  -7.612  -2.298   3.028
  135   1HB   LYS  18          HB2       LYS  18  -7.092  -4.265   1.692
  136   2HB   LYS  18          HB1       LYS  18  -6.135  -4.948   3.007
  137   1HG   LYS  18          HG2       LYS  18  -8.504  -4.514   4.282
  138   2HG   LYS  18          HG1       LYS  18  -9.070  -4.877   2.652
  139   1HD   LYS  18          HD2       LYS  18  -7.752  -6.959   2.649
  140   2HD   LYS  18          HD1       LYS  18  -7.171  -6.596   4.275
  141   1HE   LYS  18          HE2       LYS  18  -9.932  -6.363   4.530
  142   2HE   LYS  18          HE1       LYS  18  -9.727  -7.759   3.452
  143   1HZ   LYS  18          HZ1       LYS  18  -8.448  -8.876   4.975
  144   2HZ   LYS  18          HZ2       LYS  18  -9.517  -8.065   6.019
  145   3HZ   LYS  18          HZ3       LYS  18  -7.947  -7.464   5.770
  146    H    GLU  19           HN       GLU  19  -5.031  -3.930   4.896
  147    HA   GLU  19           HA       GLU  19  -6.576  -4.105   7.338
  148   1HB   GLU  19          HB2       GLU  19  -3.632  -4.264   6.633
  149   2HB   GLU  19          HB1       GLU  19  -4.241  -4.573   8.260
  150   1HG   GLU  19          HG2       GLU  19  -5.712  -6.353   7.364
  151   2HG   GLU  19          HG1       GLU  19  -5.070  -6.058   5.747
  152    H    ALA  20           HN       ALA  20  -4.853  -1.546   5.792
  153    HA   ALA  20           HA       ALA  20  -4.402  -0.025   8.290
  154   1HB   ALA  20          HB1       ALA  20  -3.924   0.476   5.337
  155   2HB   ALA  20          HB2       ALA  20  -2.719   0.058   6.556
  156   3HB   ALA  20          HB3       ALA  20  -3.502   1.637   6.596
  157    H    ILE  21           HN       ILE  21  -6.402   0.207   5.334
  158    HA   ILE  21           HA       ILE  21  -8.079   2.258   6.745
  159    HB   ILE  21           HB       ILE  21  -8.723   2.732   4.247
  160   1HG1  ILE  21          HG12      ILE  21  -6.001   1.483   3.816
  161   2HG1  ILE  21          HG11      ILE  21  -7.497   0.599   3.511
  162   1HG2  ILE  21          HG21      ILE  21  -5.901   3.359   5.151
  163   2HG2  ILE  21          HG22      ILE  21  -7.330   4.172   5.788
  164   3HG2  ILE  21          HG23      ILE  21  -6.918   4.321   4.080
  165   1HD1  ILE  21          HD11      ILE  21  -8.057   2.884   2.186
  166   2HD1  ILE  21          HD12      ILE  21  -7.253   1.513   1.421
  167   3HD1  ILE  21          HD13      ILE  21  -6.302   2.873   2.015
  168    H    GLY  22           HN       GLY  22  -8.111  -0.693   4.774
  169   1HA   GLY  22          HA2       GLY  22  -9.973  -2.267   5.624
  170   2HA   GLY  22          HA1       GLY  22 -11.048  -0.912   5.278
  171    H    LYS  23           HN       LYS  23  -9.023  -0.428   2.900
  172    HA   LYS  23           HA       LYS  23 -10.242  -2.494   1.094
  173   1HB   LYS  23          HB2       LYS  23 -11.173  -0.084   1.112
  174   2HB   LYS  23          HB1       LYS  23  -9.649   0.374   0.349
  175   1HG   LYS  23          HG2       LYS  23 -10.416  -0.327  -1.643
  176   2HG   LYS  23          HG1       LYS  23 -10.670  -1.944  -0.988
  177   1HD   LYS  23          HD2       LYS  23 -12.784  -0.563   0.097
  178   2HD   LYS  23          HD1       LYS  23 -12.621   0.203  -1.483
  179   1HE   LYS  23          HE2       LYS  23 -12.316  -2.597  -1.898
  180   2HE   LYS  23          HE1       LYS  23 -13.751  -2.367  -0.879
  181   1HZ   LYS  23          HZ1       LYS  23 -14.578  -1.989  -2.994
  182   2HZ   LYS  23          HZ2       LYS  23 -13.162  -1.218  -3.532
  183   3HZ   LYS  23          HZ3       LYS  23 -14.219  -0.415  -2.471
  184    H    ALA  24           HN       ALA  24  -8.872  -3.295  -0.536
  185    HA   ALA  24           HA       ALA  24  -5.980  -2.775  -0.160
  186   1HB   ALA  24          HB1       ALA  24  -5.908  -4.970  -0.686
  187   2HB   ALA  24          HB2       ALA  24  -6.661  -4.647  -2.247
  188   3HB   ALA  24          HB3       ALA  24  -7.666  -4.955  -0.831
  189    H    ALA  25           HN       ALA  25  -6.809  -0.477  -1.168
  190    HA   ALA  25           HA       ALA  25  -6.467  -0.650  -4.143
  191   1HB   ALA  25          HB1       ALA  25  -7.456   1.847  -3.601
  192   2HB   ALA  25          HB2       ALA  25  -8.157   0.908  -2.283
  193   3HB   ALA  25          HB3       ALA  25  -8.463   0.445  -3.957
  194    H    GLY  26           HN       GLY  26  -4.089  -0.671  -3.833
  195   1HA   GLY  26          HA2       GLY  26  -2.978   2.014  -3.819
  196   2HA   GLY  26          HA1       GLY  26  -2.524   1.098  -2.381
  197    H    LYS  27           HN       LYS  27  -0.391   1.697  -3.768
  198    HA   LYS  27           HA       LYS  27   0.301  -0.822  -5.227
  199   1HB   LYS  27          HB2       LYS  27   1.089   1.982  -6.073
  200   2HB   LYS  27          HB1       LYS  27   1.333   0.488  -6.978
  201   1HG   LYS  27          HG2       LYS  27  -0.614   1.061  -8.009
  202   2HG   LYS  27          HG1       LYS  27  -1.368   0.409  -6.553
  203   1HD   LYS  27          HD2       LYS  27  -1.845   2.495  -5.696
  204   2HD   LYS  27          HD1       LYS  27  -0.446   3.245  -6.465
  205   1HE   LYS  27          HE2       LYS  27  -2.675   2.203  -8.197
  206   2HE   LYS  27          HE1       LYS  27  -2.846   3.780  -7.401
  207   1HZ   LYS  27          HZ1       LYS  27  -0.482   4.188  -8.228
  208   2HZ   LYS  27          HZ2       LYS  27  -1.733   4.273  -9.375
  209   3HZ   LYS  27          HZ3       LYS  27  -0.750   2.891  -9.287
  210    H    CYS  28           HN       CYS  28   2.830  -0.776  -5.576
  211    HA   CYS  28           HA       CYS  28   4.115   0.278  -3.077
  212   1HB   CYS  28          HB2       CYS  28   3.960  -2.058  -2.804
  213   2HB   CYS  28          HB1       CYS  28   4.213  -2.368  -4.519
  214    H    MET  29           HN       MET  29   5.494   1.910  -3.716
  215    HA   MET  29           HA       MET  29   7.328   1.380  -6.009
  216   1HB   MET  29          HB2       MET  29   5.432   3.712  -5.633
  217   2HB   MET  29          HB1       MET  29   6.795   3.769  -6.751
  218   1HG   MET  29          HG2       MET  29   5.527   1.329  -7.294
  219   2HG   MET  29          HG1       MET  29   4.211   2.481  -7.077
  220   1HE   MET  29          HE1       MET  29   4.632   0.894  -9.275
  221   2HE   MET  29          HE2       MET  29   6.095   1.104 -10.234
  222   3HE   MET  29          HE3       MET  29   4.592   1.860 -10.757
  223    H    ASN  30           HN       ASN  30   9.251   2.758  -5.933
  224    HA   ASN  30           HA       ASN  30  11.043   3.741  -4.742
  225   1HB   ASN  30          HB2       ASN  30   8.520   5.171  -3.963
  226   2HB   ASN  30          HB1       ASN  30  10.035   5.621  -3.181
  227   1HD2  ASN  30          HD21      ASN  30  10.976   7.363  -4.242
  228   2HD2  ASN  30          HD22      ASN  30  10.959   7.611  -5.921
  229    H    GLY  31           HN       GLY  31   9.544   1.352  -3.523
  230   1HA   GLY  31          HA2       GLY  31   9.823   0.075  -1.570
  231   2HA   GLY  31          HA1       GLY  31  11.010   1.268  -1.040
  232    H    LYS  32           HN       LYS  32   7.601   1.856  -1.850
  233    HA   LYS  32           HA       LYS  32   6.987   2.295   1.032
  234   1HB   LYS  32          HB2       LYS  32   7.366   4.317  -1.093
  235   2HB   LYS  32          HB1       LYS  32   5.896   4.523  -0.141
  236   1HG   LYS  32          HG2       LYS  32   7.115   4.660   1.902
  237   2HG   LYS  32          HG1       LYS  32   8.593   4.067   1.142
  238   1HD   LYS  32          HD2       LYS  32   8.886   6.426   1.355
  239   2HD   LYS  32          HD1       LYS  32   8.501   6.145  -0.343
  240   1HE   LYS  32          HE2       LYS  32   6.787   7.612  -0.116
  241   2HE   LYS  32          HE1       LYS  32   6.011   6.451   0.979
  242   1HZ   LYS  32          HZ1       LYS  32   6.727   8.825   1.820
  243   2HZ   LYS  32          HZ2       LYS  32   8.231   8.057   2.013
  244   3HZ   LYS  32          HZ3       LYS  32   6.860   7.463   2.821
  245    H    CYS  33           HN       CYS  33   4.561   2.735   1.283
  246    HA   CYS  33           HA       CYS  33   3.069   1.142  -0.773
  247   1HB   CYS  33          HB2       CYS  33   3.385   0.647   1.840
  248   2HB   CYS  33          HB1       CYS  33   1.997   1.728   1.951
  249    H    LYS  34           HN       LYS  34   1.678   2.297  -2.034
  250    HA   LYS  34           HA       LYS  34   0.737   4.966  -1.053
  251   1HB   LYS  34          HB2       LYS  34   1.379   3.710  -3.694
  252   2HB   LYS  34          HB1       LYS  34   0.169   4.993  -3.662
  253   1HG   LYS  34          HG2       LYS  34   1.970   6.241  -2.192
  254   2HG   LYS  34          HG1       LYS  34   3.087   5.126  -2.981
  255   1HD   LYS  34          HD2       LYS  34   1.171   7.015  -4.381
  256   2HD   LYS  34          HD1       LYS  34   2.922   7.202  -4.277
  257   1HE   LYS  34          HE2       LYS  34   2.358   4.564  -5.263
  258   2HE   LYS  34          HE1       LYS  34   1.460   5.745  -6.238
  259   1HZ   LYS  34          HZ1       LYS  34   3.346   6.790  -6.896
  260   2HZ   LYS  34          HZ2       LYS  34   4.022   5.251  -6.644
  261   3HZ   LYS  34          HZ3       LYS  34   4.180   6.456  -5.457
  262    H    CYS  35           HN       CYS  35  -1.093   4.179   0.173
  263    HA   CYS  35           HA       CYS  35  -3.107   2.507  -1.216
  264   1HB   CYS  35          HB2       CYS  35  -3.192   3.765   1.539
  265   2HB   CYS  35          HB1       CYS  35  -4.087   2.354   0.977
  266    H    TYR  36           HN       TYR  36  -5.105   3.300  -1.911
  267    HA   TYR  36           HA       TYR  36  -5.484   6.267  -1.725
  268   1HB   TYR  36          HB2       TYR  36  -5.830   4.185  -3.815
  269   2HB   TYR  36          HB1       TYR  36  -7.061   5.447  -3.780
  270    HD1  TYR  36           HD1      TYR  36  -3.330   5.082  -3.551
  271    HD2  TYR  36           HD2      TYR  36  -6.648   7.421  -4.954
  272    HE1  TYR  36           HE1      TYR  36  -1.758   6.645  -4.660
  273    HE2  TYR  36           HE2      TYR  36  -5.076   8.984  -6.065
  274    HH   TYR  36           HH       TYR  36  -2.281   8.463  -6.943
  275    HA   PRO  37           HA       PRO  37  -9.061   5.389   0.769
  276   1HB   PRO  37          HB2       PRO  37 -10.327   7.818  -0.107
  277   2HB   PRO  37          HB1       PRO  37  -9.487   7.518   1.418
  278   1HG   PRO  37          HG2       PRO  37  -8.609   9.134  -0.779
  279   2HG   PRO  37          HG1       PRO  37  -7.759   8.811   0.734
  280   1HD   PRO  37          HD2       PRO  37  -7.135   7.808  -1.905
  281   2HD   PRO  37          HD1       PRO  37  -6.264   7.504  -0.382
  Start of MODEL   11
    1   1H    VAL   1          HT1       VAL   1  -2.633   9.764  -0.240
    2   2H    VAL   1          HT2       VAL   1  -4.102   9.606   0.598
    3   3H    VAL   1          HT3       VAL   1  -3.356   8.238  -0.080
    4    HA   VAL   1           HA       VAL   1  -1.781   9.759   1.857
    5    HB   VAL   1           HB       VAL   1  -3.943   9.832   2.899
    6   1HG1  VAL   1          HG11      VAL   1  -4.220   7.192   1.576
    7   2HG1  VAL   1          HG12      VAL   1  -5.432   8.440   1.865
    8   3HG1  VAL   1          HG13      VAL   1  -4.978   7.334   3.162
    9   1HG2  VAL   1          HG21      VAL   1  -3.234   7.347   4.248
   10   2HG2  VAL   1          HG22      VAL   1  -3.181   9.001   4.858
   11   3HG2  VAL   1          HG23      VAL   1  -1.815   8.352   3.951
   12    H    PHE   2           HN       PHE   2   0.027   8.511   2.167
   13    HA   PHE   2           HA       PHE   2  -0.167   5.577   1.553
   14   1HB   PHE   2          HB2       PHE   2   2.215   7.409   1.155
   15   2HB   PHE   2          HB1       PHE   2   2.011   5.772   0.533
   16    HD1  PHE   2           HD1      PHE   2   2.419   8.654  -0.863
   17    HD2  PHE   2           HD2      PHE   2  -0.873   5.949  -0.325
   18    HE1  PHE   2           HE1      PHE   2   1.342   9.561  -2.904
   19    HE2  PHE   2           HE2      PHE   2  -1.952   6.856  -2.364
   20    HZ   PHE   2           HZ       PHE   2  -0.846   8.663  -3.655
   21    H    ILE   3           HN       ILE   3   2.012   4.532   2.508
   22    HA   ILE   3           HA       ILE   3   2.540   5.652   5.232
   23    HB   ILE   3           HB       ILE   3   2.389   3.163   5.946
   24   1HG1  ILE   3          HG12      ILE   3   0.900   3.098   3.300
   25   2HG1  ILE   3          HG11      ILE   3   2.372   2.207   3.684
   26   1HG2  ILE   3          HG21      ILE   3   0.401   5.216   5.603
   27   2HG2  ILE   3          HG22      ILE   3   0.510   3.990   6.864
   28   3HG2  ILE   3          HG23      ILE   3  -0.348   3.637   5.365
   29   1HD1  ILE   3          HD11      ILE   3   1.016   1.215   5.655
   30   2HD1  ILE   3          HD12      ILE   3   0.656   0.623   4.034
   31   3HD1  ILE   3          HD13      ILE   3  -0.404   1.809   4.794
   32    H    ASN   4           HN       ASN   4   4.576   4.761   6.162
   33    HA   ASN   4           HA       ASN   4   6.615   4.386   4.069
   34   1HB   ASN   4          HB2       ASN   4   8.132   4.604   6.037
   35   2HB   ASN   4          HB1       ASN   4   6.956   5.915   5.955
   36   1HD2  ASN   4          HD21      ASN   4   8.383   4.390   8.304
   37   2HD2  ASN   4          HD22      ASN   4   7.104   4.057   9.369
   38    H    ALA   5           HN       ALA   5   4.643   2.171   4.627
   39    HA   ALA   5           HA       ALA   5   6.077   0.079   6.057
   40   1HB   ALA   5          HB1       ALA   5   3.995  -0.793   5.941
   41   2HB   ALA   5          HB2       ALA   5   4.112  -0.890   4.184
   42   3HB   ALA   5          HB3       ALA   5   3.507   0.581   4.948
   43    H    LYS   6           HN       LYS   6   8.081  -0.378   5.130
   44    HA   LYS   6           HA       LYS   6   9.021  -0.284   2.561
   45   1HB   LYS   6          HB2       LYS   6  10.325  -2.387   3.241
   46   2HB   LYS   6          HB1       LYS   6  10.405  -1.026   4.361
   47   1HG   LYS   6          HG2       LYS   6   8.645  -2.033   5.746
   48   2HG   LYS   6          HG1       LYS   6   8.501  -3.375   4.609
   49   1HD   LYS   6          HD2       LYS   6   9.978  -4.363   6.057
   50   2HD   LYS   6          HD1       LYS   6  11.155  -3.485   5.082
   51   1HE   LYS   6          HE2       LYS   6  11.596  -3.059   7.460
   52   2HE   LYS   6          HE1       LYS   6  10.988  -1.569   6.711
   53   1HZ   LYS   6          HZ1       LYS   6   9.882  -2.770   8.871
   54   2HZ   LYS   6          HZ2       LYS   6   8.911  -3.355   7.605
   55   3HZ   LYS   6          HZ3       LYS   6   9.080  -1.681   7.849
   56    H    CYS   7           HN       CYS   7   7.357  -0.687   0.982
   57    HA   CYS   7           HA       CYS   7   5.936  -3.243   0.892
   58   1HB   CYS   7          HB2       CYS   7   5.135  -2.281  -1.272
   59   2HB   CYS   7          HB1       CYS   7   4.978  -1.139   0.063
   60    H    ARG   8           HN       ARG   8   6.376  -4.978  -0.538
   61    HA   ARG   8           HA       ARG   8   9.115  -4.962  -1.744
   62   1HB   ARG   8          HB2       ARG   8   7.222  -7.142  -0.821
   63   2HB   ARG   8          HB1       ARG   8   8.756  -7.466  -1.628
   64   1HG   ARG   8          HG2       ARG   8   9.527  -7.510   0.531
   65   2HG   ARG   8          HG1       ARG   8   9.623  -5.767   0.275
   66   1HD   ARG   8          HD2       ARG   8   8.112  -5.434   1.924
   67   2HD   ARG   8          HD1       ARG   8   6.935  -6.446   1.063
   68    HE   ARG   8           HE       ARG   8   8.865  -8.176   2.221
   69   1HH1  ARG   8          HH11      ARG   8   7.132  -5.607   3.596
   70   2HH1  ARG   8          HH12      ARG   8   6.433  -6.548   4.870
   71   1HH2  ARG   8          HH21      ARG   8   7.656  -9.563   3.672
   72   2HH2  ARG   8          HH22      ARG   8   6.731  -8.788   4.915
   73    H    GLY   9           HN       GLY   9   5.721  -5.153  -2.491
   74   1HA   GLY   9          HA2       GLY   9   6.261  -5.007  -5.337
   75   2HA   GLY   9          HA1       GLY   9   5.622  -6.584  -4.872
   76    H    SER  10           HN       SER  10   4.301  -4.620  -6.548
   77    HA   SER  10           HA       SER  10   2.370  -2.985  -5.412
   78   1HB   SER  10          HB2       SER  10   2.792  -4.506  -7.845
   79   2HB   SER  10          HB1       SER  10   1.077  -4.427  -7.449
   80    HG   SER  10           HG       SER  10   2.090  -2.622  -8.703
   81    HA   PRO  11           HA       PRO  11  -0.550  -6.833  -4.865
   82   1HB   PRO  11          HB2       PRO  11   1.161  -9.118  -4.495
   83   2HB   PRO  11          HB1       PRO  11  -0.043  -8.848  -5.758
   84   1HG   PRO  11          HG2       PRO  11   2.805  -8.830  -6.029
   85   2HG   PRO  11          HG1       PRO  11   1.597  -8.511  -7.278
   86   1HD   PRO  11          HD2       PRO  11   3.368  -6.630  -5.986
   87   2HD   PRO  11          HD1       PRO  11   2.187  -6.307  -7.277
   88    H    GLU  12           HN       GLU  12   2.544  -6.356  -3.311
   89    HA   GLU  12           HA       GLU  12   1.776  -7.556  -0.756
   90   1HB   GLU  12          HB2       GLU  12   4.111  -7.360  -1.598
   91   2HB   GLU  12          HB1       GLU  12   3.979  -5.603  -1.501
   92   1HG   GLU  12          HG2       GLU  12   4.650  -5.743   0.646
   93   2HG   GLU  12          HG1       GLU  12   3.124  -6.549   1.007
   94    H    CYS  13           HN       CYS  13   1.917  -4.261  -2.114
   95    HA   CYS  13           HA       CYS  13   1.215  -2.892   0.314
   96   1HB   CYS  13          HB2       CYS  13   2.248  -1.956  -1.801
   97   2HB   CYS  13          HB1       CYS  13   0.660  -2.088  -2.557
   98    H    LEU  14           HN       LEU  14  -0.710  -4.425  -2.239
   99    HA   LEU  14           HA       LEU  14  -3.246  -3.335  -1.789
  100   1HB   LEU  14          HB2       LEU  14  -2.049  -5.717  -2.908
  101   2HB   LEU  14          HB1       LEU  14  -3.556  -6.130  -2.092
  102    HG   LEU  14           HG       LEU  14  -4.616  -4.171  -3.334
  103   1HD1  LEU  14          HD11      LEU  14  -2.950  -4.127  -5.591
  104   2HD1  LEU  14          HD12      LEU  14  -1.855  -3.961  -4.218
  105   3HD1  LEU  14          HD13      LEU  14  -3.182  -2.818  -4.431
  106   1HD2  LEU  14          HD21      LEU  14  -4.394  -6.791  -3.997
  107   2HD2  LEU  14          HD22      LEU  14  -3.635  -6.060  -5.412
  108   3HD2  LEU  14          HD23      LEU  14  -5.289  -5.628  -4.975
  109    HA   PRO  15           HA       PRO  15  -3.988  -6.566   1.778
  110   1HB   PRO  15          HB2       PRO  15  -1.393  -7.395   2.694
  111   2HB   PRO  15          HB1       PRO  15  -2.665  -8.399   1.993
  112   1HG   PRO  15          HG2       PRO  15  -0.176  -7.577   0.789
  113   2HG   PRO  15          HG1       PRO  15  -1.412  -8.650   0.126
  114   1HD   PRO  15          HD2       PRO  15  -0.796  -5.992  -0.727
  115   2HD   PRO  15          HD1       PRO  15  -2.131  -7.025  -1.289
  116    H    LYS  16           HN       LYS  16  -0.895  -4.779   1.818
  117    HA   LYS  16           HA       LYS  16  -0.869  -3.984   4.541
  118   1HB   LYS  16          HB2       LYS  16   0.162  -2.868   1.938
  119   2HB   LYS  16          HB1       LYS  16   0.414  -1.980   3.442
  120   1HG   LYS  16          HG2       LYS  16   1.161  -4.893   3.097
  121   2HG   LYS  16          HG1       LYS  16   2.291  -3.568   2.817
  122   1HD   LYS  16          HD2       LYS  16   2.696  -3.421   5.024
  123   2HD   LYS  16          HD1       LYS  16   0.982  -3.132   5.331
  124   1HE   LYS  16          HE2       LYS  16   1.319  -5.113   6.534
  125   2HE   LYS  16          HE1       LYS  16   0.822  -5.769   4.962
  126   1HZ   LYS  16          HZ1       LYS  16   3.398  -5.368   4.508
  127   2HZ   LYS  16          HZ2       LYS  16   2.799  -6.831   5.131
  128   3HZ   LYS  16          HZ3       LYS  16   3.471  -5.671   6.176
  129    H    CYS  17           HN       CYS  17  -2.308  -2.343   1.701
  130    HA   CYS  17           HA       CYS  17  -3.344  -0.087   3.145
  131   1HB   CYS  17          HB2       CYS  17  -4.305  -1.445   0.605
  132   2HB   CYS  17          HB1       CYS  17  -4.673   0.210   1.088
  133    H    LYS  18           HN       LYS  18  -4.841  -3.180   2.155
  134    HA   LYS  18           HA       LYS  18  -7.450  -2.712   3.183
  135   1HB   LYS  18          HB2       LYS  18  -6.431  -4.593   1.705
  136   2HB   LYS  18          HB1       LYS  18  -6.023  -5.372   3.234
  137   1HG   LYS  18          HG2       LYS  18  -8.700  -4.520   3.497
  138   2HG   LYS  18          HG1       LYS  18  -8.579  -5.249   1.895
  139   1HD   LYS  18          HD2       LYS  18  -7.184  -7.079   3.282
  140   2HD   LYS  18          HD1       LYS  18  -8.232  -6.499   4.577
  141   1HE   LYS  18          HE2       LYS  18  -9.754  -6.882   2.128
  142   2HE   LYS  18          HE1       LYS  18  -8.928  -8.378   2.610
  143   1HZ   LYS  18          HZ1       LYS  18  -9.897  -8.351   4.694
  144   2HZ   LYS  18          HZ2       LYS  18 -11.171  -7.803   3.713
  145   3HZ   LYS  18          HZ3       LYS  18 -10.265  -6.696   4.629
  146    H    GLU  19           HN       GLU  19  -4.445  -3.467   4.801
  147    HA   GLU  19           HA       GLU  19  -5.878  -4.055   7.351
  148   1HB   GLU  19          HB2       GLU  19  -3.904  -5.390   6.200
  149   2HB   GLU  19          HB1       GLU  19  -2.902  -4.152   6.958
  150   1HG   GLU  19          HG2       GLU  19  -2.994  -5.402   8.837
  151   2HG   GLU  19          HG1       GLU  19  -4.679  -4.894   8.973
  152    H    ALA  20           HN       ALA  20  -4.301  -1.512   5.698
  153    HA   ALA  20           HA       ALA  20  -3.603  -0.097   8.236
  154   1HB   ALA  20          HB1       ALA  20  -1.779   0.110   6.845
  155   2HB   ALA  20          HB2       ALA  20  -2.702   1.484   6.235
  156   3HB   ALA  20          HB3       ALA  20  -2.751  -0.060   5.382
  157    H    ILE  21           HN       ILE  21  -4.928   0.904   5.056
  158    HA   ILE  21           HA       ILE  21  -6.512   3.018   6.362
  159    HB   ILE  21           HB       ILE  21  -6.824   3.787   4.124
  160   1HG1  ILE  21          HG12      ILE  21  -5.958   1.042   3.163
  161   2HG1  ILE  21          HG11      ILE  21  -7.636   1.573   3.264
  162   1HG2  ILE  21          HG21      ILE  21  -4.283   2.575   3.399
  163   2HG2  ILE  21          HG22      ILE  21  -4.279   3.108   5.079
  164   3HG2  ILE  21          HG23      ILE  21  -4.644   4.256   3.792
  165   1HD1  ILE  21          HD11      ILE  21  -6.156   1.857   1.026
  166   2HD1  ILE  21          HD12      ILE  21  -5.767   3.381   1.823
  167   3HD1  ILE  21          HD13      ILE  21  -7.445   2.978   1.462
  168    H    GLY  22           HN       GLY  22  -6.988  -0.218   5.167
  169   1HA   GLY  22          HA2       GLY  22  -8.950  -1.517   5.754
  170   2HA   GLY  22          HA1       GLY  22  -9.868  -0.016   5.883
  171    H    LYS  23           HN       LYS  23  -7.782  -0.277   3.159
  172    HA   LYS  23           HA       LYS  23  -9.971  -1.280   1.406
  173   1HB   LYS  23          HB2       LYS  23 -10.218   1.177   1.676
  174   2HB   LYS  23          HB1       LYS  23  -8.559   1.393   1.118
  175   1HG   LYS  23          HG2       LYS  23  -9.738   1.710  -0.866
  176   2HG   LYS  23          HG1       LYS  23  -9.390  -0.018  -0.952
  177   1HD   LYS  23          HD2       LYS  23 -11.589  -0.479  -0.975
  178   2HD   LYS  23          HD1       LYS  23 -11.794   0.354   0.567
  179   1HE   LYS  23          HE2       LYS  23 -12.909   2.009  -0.499
  180   2HE   LYS  23          HE1       LYS  23 -11.461   2.346  -1.467
  181   1HZ   LYS  23          HZ1       LYS  23 -13.427   0.189  -2.029
  182   2HZ   LYS  23          HZ2       LYS  23 -12.055   0.561  -2.960
  183   3HZ   LYS  23          HZ3       LYS  23 -13.343   1.665  -2.860
  184    H    ALA  24           HN       ALA  24  -8.997  -2.804   0.137
  185    HA   ALA  24           HA       ALA  24  -6.107  -2.930  -0.206
  186   1HB   ALA  24          HB1       ALA  24  -7.772  -4.842  -0.043
  187   2HB   ALA  24          HB2       ALA  24  -6.646  -4.962  -1.394
  188   3HB   ALA  24          HB3       ALA  24  -8.302  -4.423  -1.670
  189    H    ALA  25           HN       ALA  25  -6.347  -0.534  -1.182
  190    HA   ALA  25           HA       ALA  25  -6.365  -0.857  -4.159
  191   1HB   ALA  25          HB1       ALA  25  -7.384   1.647  -2.861
  192   2HB   ALA  25          HB2       ALA  25  -8.433   0.230  -2.887
  193   3HB   ALA  25          HB3       ALA  25  -7.848   0.921  -4.400
  194    H    GLY  26           HN       GLY  26  -3.951  -0.951  -3.630
  195   1HA   GLY  26          HA2       GLY  26  -2.779   1.678  -4.016
  196   2HA   GLY  26          HA1       GLY  26  -2.433   1.029  -2.415
  197    H    LYS  27           HN       LYS  27  -0.317   1.474  -4.097
  198    HA   LYS  27           HA       LYS  27   0.519  -1.317  -4.815
  199   1HB   LYS  27          HB2       LYS  27   1.159   1.243  -6.318
  200   2HB   LYS  27          HB1       LYS  27   1.576  -0.397  -6.812
  201   1HG   LYS  27          HG2       LYS  27  -0.624  -0.939  -7.360
  202   2HG   LYS  27          HG1       LYS  27  -1.299   0.302  -6.303
  203   1HD   LYS  27          HD2       LYS  27   0.305   0.922  -8.797
  204   2HD   LYS  27          HD1       LYS  27  -1.457   0.846  -8.763
  205   1HE   LYS  27          HE2       LYS  27  -1.191   2.526  -6.732
  206   2HE   LYS  27          HE1       LYS  27   0.370   2.868  -7.502
  207   1HZ   LYS  27          HZ1       LYS  27  -1.711   2.621  -9.432
  208   2HZ   LYS  27          HZ2       LYS  27  -0.632   3.909  -9.176
  209   3HZ   LYS  27          HZ3       LYS  27  -2.085   3.827  -8.299
  210    H    CYS  28           HN       CYS  28   3.107  -1.045  -5.312
  211    HA   CYS  28           HA       CYS  28   4.227   0.133  -2.808
  212   1HB   CYS  28          HB2       CYS  28   4.678  -2.205  -3.135
  213   2HB   CYS  28          HB1       CYS  28   5.136  -1.946  -4.818
  214    H    MET  29           HN       MET  29   5.991   1.621  -2.929
  215    HA   MET  29           HA       MET  29   6.796   2.513  -5.668
  216   1HB   MET  29          HB2       MET  29   4.909   3.788  -4.137
  217   2HB   MET  29          HB1       MET  29   6.381   4.637  -3.662
  218   1HG   MET  29          HG2       MET  29   6.869   4.760  -6.212
  219   2HG   MET  29          HG1       MET  29   5.156   4.388  -6.403
  220   1HE   MET  29          HE1       MET  29   7.428   7.715  -6.181
  221   2HE   MET  29          HE2       MET  29   6.030   8.045  -7.201
  222   3HE   MET  29          HE3       MET  29   6.883   6.511  -7.356
  223    H    ASN  30           HN       ASN  30   8.901   1.639  -5.329
  224    HA   ASN  30           HA       ASN  30  11.156   1.748  -4.644
  225   1HB   ASN  30          HB2       ASN  30   9.915   4.384  -4.185
  226   2HB   ASN  30          HB1       ASN  30  11.383   4.101  -3.247
  227   1HD2  ASN  30          HD21      ASN  30  13.283   3.157  -4.629
  228   2HD2  ASN  30          HD22      ASN  30  13.457   3.780  -6.198
  229    H    GLY  31           HN       GLY  31   8.701   1.121  -2.613
  230   1HA   GLY  31          HA2       GLY  31   9.428  -0.310  -0.651
  231   2HA   GLY  31          HA1       GLY  31  10.488   1.030  -0.214
  232    H    LYS  32           HN       LYS  32   7.544   2.146  -1.483
  233    HA   LYS  32           HA       LYS  32   6.483   2.519   1.299
  234   1HB   LYS  32          HB2       LYS  32   6.958   4.341  -1.009
  235   2HB   LYS  32          HB1       LYS  32   5.502   4.637  -0.059
  236   1HG   LYS  32          HG2       LYS  32   6.686   5.161   1.859
  237   2HG   LYS  32          HG1       LYS  32   8.067   4.163   1.406
  238   1HD   LYS  32          HD2       LYS  32   8.865   5.777  -0.143
  239   2HD   LYS  32          HD1       LYS  32   7.338   6.659  -0.131
  240   1HE   LYS  32          HE2       LYS  32   8.170   6.607   2.563
  241   2HE   LYS  32          HE1       LYS  32   9.625   6.990   1.620
  242   1HZ   LYS  32          HZ1       LYS  32   6.987   8.276   1.171
  243   2HZ   LYS  32          HZ2       LYS  32   8.474   8.710   0.476
  244   3HZ   LYS  32          HZ3       LYS  32   8.204   8.957   2.135
  245    H    CYS  33           HN       CYS  33   4.145   2.554   1.480
  246    HA   CYS  33           HA       CYS  33   2.804   0.911  -0.600
  247   1HB   CYS  33          HB2       CYS  33   2.892   0.866   2.141
  248   2HB   CYS  33          HB1       CYS  33   1.387   1.734   1.862
  249    H    LYS  34           HN       LYS  34   1.609   1.996  -2.131
  250    HA   LYS  34           HA       LYS  34   0.672   4.760  -1.544
  251   1HB   LYS  34          HB2       LYS  34   1.039   3.042  -4.002
  252   2HB   LYS  34          HB1       LYS  34   0.163   4.572  -4.077
  253   1HG   LYS  34          HG2       LYS  34   2.406   5.294  -2.674
  254   2HG   LYS  34          HG1       LYS  34   3.053   4.079  -3.776
  255   1HD   LYS  34          HD2       LYS  34   1.267   6.327  -4.722
  256   2HD   LYS  34          HD1       LYS  34   3.023   6.482  -4.653
  257   1HE   LYS  34          HE2       LYS  34   3.228   4.463  -6.114
  258   2HE   LYS  34          HE1       LYS  34   1.460   4.429  -6.259
  259   1HZ   LYS  34          HZ1       LYS  34   2.975   6.910  -6.770
  260   2HZ   LYS  34          HZ2       LYS  34   1.416   6.485  -7.299
  261   3HZ   LYS  34          HZ3       LYS  34   2.783   5.754  -7.996
  262    H    CYS  35           HN       CYS  35  -1.049   3.840  -0.054
  263    HA   CYS  35           HA       CYS  35  -3.202   2.248  -1.240
  264   1HB   CYS  35          HB2       CYS  35  -3.056   3.806   1.360
  265   2HB   CYS  35          HB1       CYS  35  -4.166   2.486   0.990
  266    H    TYR  36           HN       TYR  36  -5.400   3.045  -1.512
  267    HA   TYR  36           HA       TYR  36  -5.645   6.023  -1.762
  268   1HB   TYR  36          HB2       TYR  36  -5.841   3.852  -3.757
  269   2HB   TYR  36          HB1       TYR  36  -7.169   5.012  -3.814
  270    HD1  TYR  36           HD1      TYR  36  -3.436   5.046  -3.366
  271    HD2  TYR  36           HD2      TYR  36  -6.875   6.864  -5.187
  272    HE1  TYR  36           HE1      TYR  36  -1.964   6.676  -4.520
  273    HE2  TYR  36           HE2      TYR  36  -5.403   8.494  -6.340
  274    HH   TYR  36           HH       TYR  36  -3.030   8.628  -7.071
  275    HA   PRO  37           HA       PRO  37  -9.087   4.050   0.728
  276   1HB   PRO  37          HB2       PRO  37  -9.035   6.454   2.307
  277   2HB   PRO  37          HB1       PRO  37  -8.570   4.822   2.796
  278   1HG   PRO  37          HG2       PRO  37  -6.853   7.070   2.307
  279   2HG   PRO  37          HG1       PRO  37  -6.391   5.437   2.794
  280   1HD   PRO  37          HD2       PRO  37  -6.006   6.692   0.225
  281   2HD   PRO  37          HD1       PRO  37  -5.550   5.041   0.713
  Start of MODEL   12
    1   1H    VAL   1          HT1       VAL   1  -4.235   5.753   3.850
    2   2H    VAL   1          HT2       VAL   1  -2.987   4.715   3.350
    3   3H    VAL   1          HT3       VAL   1  -4.081   5.342   2.211
    4    HA   VAL   1           HA       VAL   1  -3.066   7.364   2.109
    5    HB   VAL   1           HB       VAL   1  -1.841   8.169   4.224
    6   1HG1  VAL   1          HG11      VAL   1  -3.831   9.022   5.085
    7   2HG1  VAL   1          HG12      VAL   1  -4.700   7.505   4.852
    8   3HG1  VAL   1          HG13      VAL   1  -4.343   8.538   3.468
    9   1HG2  VAL   1          HG21      VAL   1  -1.654   5.759   5.084
   10   2HG2  VAL   1          HG22      VAL   1  -3.363   5.887   5.502
   11   3HG2  VAL   1          HG23      VAL   1  -2.187   6.963   6.256
   12    H    PHE   2           HN       PHE   2  -0.483   8.037   2.923
   13    HA   PHE   2           HA       PHE   2   1.112   5.941   1.543
   14   1HB   PHE   2          HB2       PHE   2   1.379   8.867   2.198
   15   2HB   PHE   2          HB1       PHE   2   2.805   7.942   1.738
   16    HD1  PHE   2           HD1      PHE   2  -0.522   7.060   0.443
   17    HD2  PHE   2           HD2      PHE   2   3.116   9.202  -0.342
   18    HE1  PHE   2           HE1      PHE   2  -1.159   7.264  -1.942
   19    HE2  PHE   2           HE2      PHE   2   2.480   9.406  -2.729
   20    HZ   PHE   2           HZ       PHE   2   0.342   8.437  -3.531
   21    H    ILE   3           HN       ILE   3   2.754   4.812   2.596
   22    HA   ILE   3           HA       ILE   3   3.601   5.679   5.311
   23    HB   ILE   3           HB       ILE   3   3.105   3.329   6.121
   24   1HG1  ILE   3          HG12      ILE   3   1.636   3.223   3.466
   25   2HG1  ILE   3          HG11      ILE   3   3.012   2.224   3.935
   26   1HG2  ILE   3          HG21      ILE   3   1.595   5.335   6.474
   27   2HG2  ILE   3          HG22      ILE   3   0.774   3.776   6.520
   28   3HG2  ILE   3          HG23      ILE   3   0.663   4.788   5.081
   29   1HD1  ILE   3          HD11      ILE   3   1.593   1.433   5.906
   30   2HD1  ILE   3          HD12      ILE   3   1.073   0.879   4.316
   31   3HD1  ILE   3          HD13      ILE   3   0.223   2.205   5.108
   32    H    ASN   4           HN       ASN   4   5.700   4.927   5.825
   33    HA   ASN   4           HA       ASN   4   7.270   3.890   3.554
   34   1HB   ASN   4          HB2       ASN   4   9.149   4.474   5.002
   35   2HB   ASN   4          HB1       ASN   4   7.966   5.782   5.040
   36   1HD2  ASN   4          HD21      ASN   4   9.798   5.429   7.198
   37   2HD2  ASN   4          HD22      ASN   4   8.930   4.932   8.570
   38    H    ALA   5           HN       ALA   5   5.863   1.766   3.867
   39    HA   ALA   5           HA       ALA   5   6.885   0.030   6.048
   40   1HB   ALA   5          HB1       ALA   5   4.479   0.126   5.501
   41   2HB   ALA   5          HB2       ALA   5   5.119  -1.488   5.187
   42   3HB   ALA   5          HB3       ALA   5   4.829  -0.376   3.848
   43    H    LYS   6           HN       LYS   6   8.599   0.938   3.739
   44    HA   LYS   6           HA       LYS   6   9.983   0.017   2.032
   45   1HB   LYS   6          HB2       LYS   6  11.305  -1.792   3.031
   46   2HB   LYS   6          HB1       LYS   6  10.957  -0.549   4.230
   47   1HG   LYS   6          HG2       LYS   6   9.293  -1.869   5.281
   48   2HG   LYS   6          HG1       LYS   6   9.190  -2.974   3.910
   49   1HD   LYS   6          HD2       LYS   6  10.571  -4.278   5.172
   50   2HD   LYS   6          HD1       LYS   6  11.829  -3.209   4.552
   51   1HE   LYS   6          HE2       LYS   6  10.761  -1.803   6.724
   52   2HE   LYS   6          HE1       LYS   6  10.859  -3.485   7.284
   53   1HZ   LYS   6          HZ1       LYS   6  13.101  -3.596   6.874
   54   2HZ   LYS   6          HZ2       LYS   6  12.964  -1.975   7.365
   55   3HZ   LYS   6          HZ3       LYS   6  13.073  -2.360   5.713
   56    H    CYS   7           HN       CYS   7   7.391  -0.548   1.301
   57    HA   CYS   7           HA       CYS   7   6.580  -3.226   0.994
   58   1HB   CYS   7          HB2       CYS   7   5.276  -2.347  -0.874
   59   2HB   CYS   7          HB1       CYS   7   5.337  -1.126   0.397
   60    H    ARG   8           HN       ARG   8   7.235  -4.895  -0.364
   61    HA   ARG   8           HA       ARG   8   9.580  -4.329  -2.148
   62   1HB   ARG   8          HB2       ARG   8   8.692  -6.646  -0.437
   63   2HB   ARG   8          HB1       ARG   8   9.823  -6.908  -1.766
   64   1HG   ARG   8          HG2       ARG   8  10.251  -4.808   0.373
   65   2HG   ARG   8          HG1       ARG   8  10.910  -6.442   0.479
   66   1HD   ARG   8          HD2       ARG   8  11.406  -5.022  -2.087
   67   2HD   ARG   8          HD1       ARG   8  12.274  -4.402  -0.668
   68    HE   ARG   8           HE       ARG   8  13.490  -6.429  -0.590
   69   1HH1  ARG   8          HH11      ARG   8  13.097  -6.728  -3.530
   70   2HH1  ARG   8          HH12      ARG   8  12.403  -8.310  -3.654
   71   1HH2  ARG   8          HH21      ARG   8  11.534  -8.479  -0.302
   72   2HH2  ARG   8          HH22      ARG   8  11.519  -9.301  -1.826
   73    H    GLY   9           HN       GLY   9   6.276  -5.178  -2.152
   74   1HA   GLY   9          HA2       GLY   9   6.411  -5.759  -5.033
   75   2HA   GLY   9          HA1       GLY   9   5.788  -7.073  -4.036
   76    H    SER  10           HN       SER  10   4.429  -5.360  -6.078
   77    HA   SER  10           HA       SER  10   2.646  -3.498  -4.876
   78   1HB   SER  10          HB2       SER  10   3.235  -4.227  -7.363
   79   2HB   SER  10          HB1       SER  10   1.807  -5.238  -7.161
   80    HG   SER  10           HG       SER  10   2.056  -2.430  -7.034
   81    HA   PRO  11           HA       PRO  11  -0.439  -7.261  -4.564
   82   1HB   PRO  11          HB2       PRO  11   1.178  -9.560  -3.944
   83   2HB   PRO  11          HB1       PRO  11   0.102  -9.321  -5.324
   84   1HG   PRO  11          HG2       PRO  11   2.964  -9.367  -5.327
   85   2HG   PRO  11          HG1       PRO  11   1.886  -9.086  -6.697
   86   1HD   PRO  11          HD2       PRO  11   3.568  -7.180  -5.332
   87   2HD   PRO  11          HD1       PRO  11   2.514  -6.895  -6.738
   88    H    GLU  12           HN       GLU  12   2.527  -6.810  -2.781
   89    HA   GLU  12           HA       GLU  12   1.504  -7.829  -0.235
   90   1HB   GLU  12          HB2       GLU  12   3.925  -7.674  -1.066
   91   2HB   GLU  12          HB1       GLU  12   3.817  -5.942  -0.756
   92   1HG   GLU  12          HG2       GLU  12   3.838  -6.210   1.515
   93   2HG   GLU  12          HG1       GLU  12   2.909  -7.708   1.447
   94    H    CYS  13           HN       CYS  13   1.752  -4.701  -1.872
   95    HA   CYS  13           HA       CYS  13   0.995  -3.076   0.398
   96   1HB   CYS  13          HB2       CYS  13   1.512  -2.840  -2.485
   97   2HB   CYS  13          HB1       CYS  13   0.285  -1.713  -1.907
   98    H    LEU  14           HN       LEU  14  -0.794  -4.927  -2.002
   99    HA   LEU  14           HA       LEU  14  -3.328  -3.664  -1.852
  100   1HB   LEU  14          HB2       LEU  14  -2.142  -6.158  -2.737
  101   2HB   LEU  14          HB1       LEU  14  -3.731  -6.448  -2.030
  102    HG   LEU  14           HG       LEU  14  -4.045  -5.989  -4.381
  103   1HD1  LEU  14          HD11      LEU  14  -5.869  -4.803  -3.812
  104   2HD1  LEU  14          HD12      LEU  14  -4.888  -3.340  -3.727
  105   3HD1  LEU  14          HD13      LEU  14  -5.102  -4.343  -2.292
  106   1HD2  LEU  14          HD21      LEU  14  -2.742  -3.291  -4.033
  107   2HD2  LEU  14          HD22      LEU  14  -3.076  -4.169  -5.525
  108   3HD2  LEU  14          HD23      LEU  14  -1.779  -4.706  -4.457
  109    HA   PRO  15           HA       PRO  15  -4.377  -6.669   1.824
  110   1HB   PRO  15          HB2       PRO  15  -1.871  -7.508   2.960
  111   2HB   PRO  15          HB1       PRO  15  -3.121  -8.518   2.226
  112   1HG   PRO  15          HG2       PRO  15  -0.535  -7.844   1.160
  113   2HG   PRO  15          HG1       PRO  15  -1.768  -8.891   0.453
  114   1HD   PRO  15          HD2       PRO  15  -0.982  -6.280  -0.436
  115   2HD   PRO  15          HD1       PRO  15  -2.283  -7.305  -1.086
  116    H    LYS  16           HN       LYS  16  -1.235  -4.972   1.998
  117    HA   LYS  16           HA       LYS  16  -1.474  -4.000   4.676
  118   1HB   LYS  16          HB2       LYS  16  -0.047  -3.058   2.177
  119   2HB   LYS  16          HB1       LYS  16   0.182  -2.279   3.743
  120   1HG   LYS  16          HG2       LYS  16   0.728  -5.185   3.074
  121   2HG   LYS  16          HG1       LYS  16   1.928  -3.946   3.443
  122   1HD   LYS  16          HD2       LYS  16   0.277  -3.773   5.626
  123   2HD   LYS  16          HD1       LYS  16   0.212  -5.500   5.268
  124   1HE   LYS  16          HE2       LYS  16   2.875  -5.107   5.000
  125   2HE   LYS  16          HE1       LYS  16   2.509  -3.856   6.205
  126   1HZ   LYS  16          HZ1       LYS  16   2.919  -6.248   7.022
  127   2HZ   LYS  16          HZ2       LYS  16   1.351  -6.559   6.447
  128   3HZ   LYS  16          HZ3       LYS  16   1.598  -5.392   7.656
  129    H    CYS  17           HN       CYS  17  -2.236  -2.381   1.563
  130    HA   CYS  17           HA       CYS  17  -3.236   0.051   2.590
  131   1HB   CYS  17          HB2       CYS  17  -3.933  -1.646   0.180
  132   2HB   CYS  17          HB1       CYS  17  -4.595  -0.028   0.415
  133    H    LYS  18           HN       LYS  18  -4.837  -3.095   2.217
  134    HA   LYS  18           HA       LYS  18  -7.498  -2.218   2.882
  135   1HB   LYS  18          HB2       LYS  18  -6.606  -4.391   1.787
  136   2HB   LYS  18          HB1       LYS  18  -6.300  -4.938   3.437
  137   1HG   LYS  18          HG2       LYS  18  -8.992  -3.916   2.498
  138   2HG   LYS  18          HG1       LYS  18  -8.551  -5.624   2.500
  139   1HD   LYS  18          HD2       LYS  18  -7.837  -4.963   5.027
  140   2HD   LYS  18          HD1       LYS  18  -9.163  -3.824   4.781
  141   1HE   LYS  18          HE2       LYS  18 -10.535  -5.826   3.936
  142   2HE   LYS  18          HE1       LYS  18  -9.254  -6.849   4.617
  143   1HZ   LYS  18          HZ1       LYS  18  -9.960  -6.429   6.672
  144   2HZ   LYS  18          HZ2       LYS  18 -11.332  -5.682   6.005
  145   3HZ   LYS  18          HZ3       LYS  18  -9.967  -4.753   6.409
  146    H    GLU  19           HN       GLU  19  -4.966  -3.822   4.847
  147    HA   GLU  19           HA       GLU  19  -6.425  -3.546   7.339
  148   1HB   GLU  19          HB2       GLU  19  -4.846  -5.294   7.205
  149   2HB   GLU  19          HB1       GLU  19  -3.628  -4.258   6.462
  150   1HG   GLU  19          HG2       GLU  19  -3.109  -4.773   8.846
  151   2HG   GLU  19          HG1       GLU  19  -3.326  -3.045   8.564
  152    H    ALA  20           HN       ALA  20  -4.868  -1.283   5.398
  153    HA   ALA  20           HA       ALA  20  -3.736   0.370   7.554
  154   1HB   ALA  20          HB1       ALA  20  -3.093   1.792   5.692
  155   2HB   ALA  20          HB2       ALA  20  -4.239   0.981   4.625
  156   3HB   ALA  20          HB3       ALA  20  -2.818   0.117   5.213
  157    H    ILE  21           HN       ILE  21  -6.302   0.861   5.091
  158    HA   ILE  21           HA       ILE  21  -7.637   2.739   7.015
  159    HB   ILE  21           HB       ILE  21  -8.447   3.882   4.994
  160   1HG1  ILE  21          HG12      ILE  21  -6.961   1.660   3.555
  161   2HG1  ILE  21          HG11      ILE  21  -8.697   1.967   3.511
  162   1HG2  ILE  21          HG21      ILE  21  -6.500   5.016   4.817
  163   2HG2  ILE  21          HG22      ILE  21  -5.655   3.614   4.163
  164   3HG2  ILE  21          HG23      ILE  21  -5.823   3.807   5.908
  165   1HD1  ILE  21          HD11      ILE  21  -8.012   3.004   1.541
  166   2HD1  ILE  21          HD12      ILE  21  -6.468   3.511   2.227
  167   3HD1  ILE  21          HD13      ILE  21  -7.950   4.355   2.674
  168    H    GLY  22           HN       GLY  22  -8.097   0.066   4.734
  169   1HA   GLY  22          HA2       GLY  22  -9.898  -1.547   5.590
  170   2HA   GLY  22          HA1       GLY  22 -10.938  -0.125   5.658
  171    H    LYS  23           HN       LYS  23  -8.722  -0.191   3.019
  172    HA   LYS  23           HA       LYS  23 -10.739  -1.419   1.201
  173   1HB   LYS  23          HB2       LYS  23 -11.121   1.068   1.492
  174   2HB   LYS  23          HB1       LYS  23  -9.523   1.330   0.792
  175   1HG   LYS  23          HG2       LYS  23 -11.081   1.528  -1.017
  176   2HG   LYS  23          HG1       LYS  23 -10.308  -0.047  -1.205
  177   1HD   LYS  23          HD2       LYS  23 -12.321  -0.889   0.267
  178   2HD   LYS  23          HD1       LYS  23 -13.093   0.596  -0.285
  179   1HE   LYS  23          HE2       LYS  23 -12.549  -0.081  -2.657
  180   2HE   LYS  23          HE1       LYS  23 -12.005  -1.647  -2.019
  181   1HZ   LYS  23          HZ1       LYS  23 -14.100  -2.157  -1.229
  182   2HZ   LYS  23          HZ2       LYS  23 -14.470  -1.374  -2.690
  183   3HZ   LYS  23          HZ3       LYS  23 -14.616  -0.542  -1.215
  184    H    ALA  24           HN       ALA  24  -9.649  -2.773  -0.169
  185    HA   ALA  24           HA       ALA  24  -6.753  -2.843  -0.272
  186   1HB   ALA  24          HB1       ALA  24  -8.895  -4.526  -0.795
  187   2HB   ALA  24          HB2       ALA  24  -7.206  -4.892  -1.147
  188   3HB   ALA  24          HB3       ALA  24  -8.241  -4.210  -2.402
  189    H    ALA  25           HN       ALA  25  -6.377  -0.572  -1.042
  190    HA   ALA  25           HA       ALA  25  -6.390  -0.475  -4.019
  191   1HB   ALA  25          HB1       ALA  25  -7.347   1.843  -2.332
  192   2HB   ALA  25          HB2       ALA  25  -8.459   0.608  -2.921
  193   3HB   ALA  25          HB3       ALA  25  -7.555   1.600  -4.066
  194    H    GLY  26           HN       GLY  26  -4.288  -0.031  -4.548
  195   1HA   GLY  26          HA2       GLY  26  -2.784   2.168  -4.151
  196   2HA   GLY  26          HA1       GLY  26  -2.547   1.352  -2.604
  197    H    LYS  27           HN       LYS  27  -0.265   1.631  -3.888
  198    HA   LYS  27           HA       LYS  27   0.354  -1.116  -4.842
  199   1HB   LYS  27          HB2       LYS  27   0.789   1.474  -6.356
  200   2HB   LYS  27          HB1       LYS  27   1.600  -0.035  -6.782
  201   1HG   LYS  27          HG2       LYS  27  -0.256  -0.249  -8.128
  202   2HG   LYS  27          HG1       LYS  27  -0.911  -0.962  -6.655
  203   1HD   LYS  27          HD2       LYS  27  -2.519   0.613  -6.687
  204   2HD   LYS  27          HD1       LYS  27  -1.269   1.815  -6.363
  205   1HE   LYS  27          HE2       LYS  27  -1.157   1.126  -9.151
  206   2HE   LYS  27          HE1       LYS  27  -2.827   1.553  -8.729
  207   1HZ   LYS  27          HZ1       LYS  27  -1.570   3.548  -9.209
  208   2HZ   LYS  27          HZ2       LYS  27  -0.393   3.124  -8.060
  209   3HZ   LYS  27          HZ3       LYS  27  -1.970   3.510  -7.561
  210    H    CYS  28           HN       CYS  28   2.979  -0.825  -5.491
  211    HA   CYS  28           HA       CYS  28   4.191   0.421  -3.043
  212   1HB   CYS  28          HB2       CYS  28   4.304  -1.952  -2.867
  213   2HB   CYS  28          HB1       CYS  28   4.715  -2.136  -4.571
  214    H    MET  29           HN       MET  29   5.795   1.909  -3.435
  215    HA   MET  29           HA       MET  29   7.286   1.837  -6.005
  216   1HB   MET  29          HB2       MET  29   5.303   3.172  -6.473
  217   2HB   MET  29          HB1       MET  29   5.557   4.125  -5.011
  218   1HG   MET  29          HG2       MET  29   6.568   5.544  -6.511
  219   2HG   MET  29          HG1       MET  29   7.953   4.507  -6.167
  220   1HE   MET  29          HE1       MET  29   9.122   4.941  -9.010
  221   2HE   MET  29          HE2       MET  29   8.144   6.146  -8.174
  222   3HE   MET  29          HE3       MET  29   7.772   5.725  -9.844
  223    H    ASN  30           HN       ASN  30   9.355   2.765  -5.785
  224    HA   ASN  30           HA       ASN  30  11.272   3.478  -4.592
  225   1HB   ASN  30          HB2       ASN  30   9.180   5.365  -4.520
  226   2HB   ASN  30          HB1       ASN  30   9.841   5.337  -2.884
  227   1HD2  ASN  30          HD21      ASN  30  11.529   6.800  -2.634
  228   2HD2  ASN  30          HD22      ASN  30  12.628   7.245  -3.849
  229    H    GLY  31           HN       GLY  31   9.627   1.257  -3.428
  230   1HA   GLY  31          HA2       GLY  31   9.772  -0.059  -1.483
  231   2HA   GLY  31          HA1       GLY  31  10.948   1.099  -0.862
  232    H    LYS  32           HN       LYS  32   7.833   2.228  -1.930
  233    HA   LYS  32           HA       LYS  32   6.996   2.552   0.935
  234   1HB   LYS  32          HB2       LYS  32   7.243   4.470  -1.354
  235   2HB   LYS  32          HB1       LYS  32   5.957   4.737  -0.177
  236   1HG   LYS  32          HG2       LYS  32   7.939   4.312   1.551
  237   2HG   LYS  32          HG1       LYS  32   8.919   4.863   0.193
  238   1HD   LYS  32          HD2       LYS  32   8.185   7.003   0.378
  239   2HD   LYS  32          HD1       LYS  32   6.520   6.500   0.667
  240   1HE   LYS  32          HE2       LYS  32   6.761   6.646   2.927
  241   2HE   LYS  32          HE1       LYS  32   8.349   5.855   2.891
  242   1HZ   LYS  32          HZ1       LYS  32   8.462   8.239   3.504
  243   2HZ   LYS  32          HZ2       LYS  32   7.843   8.635   1.972
  244   3HZ   LYS  32          HZ3       LYS  32   9.352   7.865   2.108
  245    H    CYS  33           HN       CYS  33   4.666   2.602   1.249
  246    HA   CYS  33           HA       CYS  33   3.171   1.176  -0.914
  247   1HB   CYS  33          HB2       CYS  33   3.567   0.399   1.570
  248   2HB   CYS  33          HB1       CYS  33   2.265   1.530   1.931
  249    H    LYS  34           HN       LYS  34   1.717   2.388  -2.051
  250    HA   LYS  34           HA       LYS  34   0.686   4.916  -0.814
  251   1HB   LYS  34          HB2       LYS  34   1.025   3.965  -3.677
  252   2HB   LYS  34          HB1       LYS  34   0.284   5.504  -3.236
  253   1HG   LYS  34          HG2       LYS  34   2.287   6.399  -2.448
  254   2HG   LYS  34          HG1       LYS  34   2.990   4.812  -2.137
  255   1HD   LYS  34          HD2       LYS  34   3.964   6.000  -4.140
  256   2HD   LYS  34          HD1       LYS  34   3.298   4.405  -4.496
  257   1HE   LYS  34          HE2       LYS  34   1.295   6.545  -4.712
  258   2HE   LYS  34          HE1       LYS  34   2.639   6.721  -5.859
  259   1HZ   LYS  34          HZ1       LYS  34   2.353   4.196  -6.156
  260   2HZ   LYS  34          HZ2       LYS  34   1.251   5.230  -6.933
  261   3HZ   LYS  34          HZ3       LYS  34   0.808   4.436  -5.498
  262    H    CYS  35           HN       CYS  35  -1.268   4.360   0.158
  263    HA   CYS  35           HA       CYS  35  -3.139   2.580  -1.341
  264   1HB   CYS  35          HB2       CYS  35  -3.219   3.582   1.521
  265   2HB   CYS  35          HB1       CYS  35  -4.166   2.260   0.838
  266    H    TYR  36           HN       TYR  36  -5.324   3.271  -1.684
  267    HA   TYR  36           HA       TYR  36  -5.797   6.214  -1.327
  268   1HB   TYR  36          HB2       TYR  36  -6.167   4.333  -3.646
  269   2HB   TYR  36          HB1       TYR  36  -7.180   5.771  -3.522
  270    HD1  TYR  36           HD1      TYR  36  -3.908   4.482  -4.365
  271    HD2  TYR  36           HD2      TYR  36  -6.064   8.044  -3.305
  272    HE1  TYR  36           HE1      TYR  36  -2.050   5.870  -5.247
  273    HE2  TYR  36           HE2      TYR  36  -4.207   9.430  -4.188
  274    HH   TYR  36           HH       TYR  36  -1.578   8.042  -6.000
  275    HA   PRO  37           HA       PRO  37  -9.567   5.234   0.706
  276   1HB   PRO  37          HB2       PRO  37 -11.161   7.086  -0.811
  277   2HB   PRO  37          HB1       PRO  37 -10.469   7.312   0.799
  278   1HG   PRO  37          HG2       PRO  37  -9.653   8.552  -1.658
  279   2HG   PRO  37          HG1       PRO  37  -8.966   8.777  -0.046
  280   1HD   PRO  37          HD2       PRO  37  -7.796   7.387  -2.287
  281   2HD   PRO  37          HD1       PRO  37  -7.111   7.599  -0.657
  Start of MODEL   13
    1   1H    VAL   1          HT1       VAL   1  -2.923  10.929   1.486
    2   2H    VAL   1          HT2       VAL   1  -3.192   9.719   0.325
    3   3H    VAL   1          HT3       VAL   1  -1.607  10.118   0.788
    4    HA   VAL   1           HA       VAL   1  -2.422   9.438   3.155
    5    HB   VAL   1           HB       VAL   1  -4.353   8.182   1.182
    6   1HG1  VAL   1          HG11      VAL   1  -3.587   7.441   3.992
    7   2HG1  VAL   1          HG12      VAL   1  -3.919   6.389   2.616
    8   3HG1  VAL   1          HG13      VAL   1  -5.247   7.197   3.451
    9   1HG2  VAL   1          HG21      VAL   1  -5.666   9.896   1.829
   10   2HG2  VAL   1          HG22      VAL   1  -4.438  10.454   2.964
   11   3HG2  VAL   1          HG23      VAL   1  -5.626   9.254   3.471
   12    H    PHE   2           HN       PHE   2  -0.101   8.948   2.415
   13    HA   PHE   2           HA       PHE   2   0.152   6.207   1.231
   14   1HB   PHE   2          HB2       PHE   2   1.899   8.659   1.424
   15   2HB   PHE   2          HB1       PHE   2   2.605   7.088   1.059
   16    HD1  PHE   2           HD1      PHE   2   3.216   8.550  -1.078
   17    HD2  PHE   2           HD2      PHE   2  -0.730   7.142  -0.120
   18    HE1  PHE   2           HE1      PHE   2   2.546   8.804  -3.450
   19    HE2  PHE   2           HE2      PHE   2  -1.397   7.397  -2.492
   20    HZ   PHE   2           HZ       PHE   2   0.240   8.228  -4.158
   21    H    ILE   3           HN       ILE   3   1.456   4.652   2.324
   22    HA   ILE   3           HA       ILE   3   2.249   5.356   5.131
   23    HB   ILE   3           HB       ILE   3   1.296   3.280   5.860
   24   1HG1  ILE   3          HG12      ILE   3   0.875   2.651   2.919
   25   2HG1  ILE   3          HG11      ILE   3   2.087   1.906   3.962
   26   1HG2  ILE   3          HG21      ILE   3  -0.626   4.327   3.767
   27   2HG2  ILE   3          HG22      ILE   3  -0.295   5.175   5.278
   28   3HG2  ILE   3          HG23      ILE   3  -1.023   3.570   5.311
   29   1HD1  ILE   3          HD11      ILE   3  -0.900   1.587   4.012
   30   2HD1  ILE   3          HD12      ILE   3   0.031   1.337   5.490
   31   3HD1  ILE   3          HD13      ILE   3   0.350   0.346   4.066
   32    H    ASN   4           HN       ASN   4   4.311   4.667   5.673
   33    HA   ASN   4           HA       ASN   4   5.932   3.398   3.555
   34   1HB   ASN   4          HB2       ASN   4   7.763   3.934   5.202
   35   2HB   ASN   4          HB1       ASN   4   6.796   5.333   4.739
   36   1HD2  ASN   4          HD21      ASN   4   7.901   3.498   7.421
   37   2HD2  ASN   4          HD22      ASN   4   6.916   4.211   8.604
   38    H    ALA   5           HN       ALA   5   4.401   1.371   4.044
   39    HA   ALA   5           HA       ALA   5   5.141  -0.181   6.422
   40   1HB   ALA   5          HB1       ALA   5   3.824  -1.508   4.137
   41   2HB   ALA   5          HB2       ALA   5   3.002  -0.051   4.697
   42   3HB   ALA   5          HB3       ALA   5   3.297  -1.385   5.814
   43    H    LYS   6           HN       LYS   6   6.768   0.529   3.631
   44    HA   LYS   6           HA       LYS   6   8.717  -0.423   2.685
   45   1HB   LYS   6          HB2       LYS   6   8.885  -1.049   5.213
   46   2HB   LYS   6          HB1       LYS   6   8.408  -2.661   4.677
   47   1HG   LYS   6          HG2       LYS   6  10.473  -1.591   2.951
   48   2HG   LYS   6          HG1       LYS   6  11.002  -1.573   4.633
   49   1HD   LYS   6          HD2       LYS   6   9.624  -4.024   3.607
   50   2HD   LYS   6          HD1       LYS   6  11.304  -3.750   3.143
   51   1HE   LYS   6          HE2       LYS   6  10.840  -3.257   5.998
   52   2HE   LYS   6          HE1       LYS   6  10.490  -4.930   5.517
   53   1HZ   LYS   6          HZ1       LYS   6  12.598  -5.161   4.543
   54   2HZ   LYS   6          HZ2       LYS   6  12.898  -4.399   6.032
   55   3HZ   LYS   6          HZ3       LYS   6  12.909  -3.494   4.593
   56    H    CYS   7           HN       CYS   7   6.400  -0.937   1.330
   57    HA   CYS   7           HA       CYS   7   5.584  -3.617   0.954
   58   1HB   CYS   7          HB2       CYS   7   4.775  -2.793  -1.198
   59   2HB   CYS   7          HB1       CYS   7   4.561  -1.530   0.013
   60    H    ARG   8           HN       ARG   8   6.127  -4.254  -1.732
   61    HA   ARG   8           HA       ARG   8   9.103  -4.486  -1.872
   62   1HB   ARG   8          HB2       ARG   8   7.176  -6.805  -2.180
   63   2HB   ARG   8          HB1       ARG   8   8.935  -6.883  -2.064
   64   1HG   ARG   8          HG2       ARG   8   8.794  -5.922   0.232
   65   2HG   ARG   8          HG1       ARG   8   7.035  -5.967   0.114
   66   1HD   ARG   8          HD2       ARG   8   7.094  -8.416  -0.167
   67   2HD   ARG   8          HD1       ARG   8   8.866  -8.386  -0.082
   68    HE   ARG   8           HE       ARG   8   8.535  -7.301   2.219
   69   1HH1  ARG   8          HH11      ARG   8   7.801 -10.312   1.922
   70   2HH1  ARG   8          HH12      ARG   8   6.356 -10.364   2.878
   71   1HH2  ARG   8          HH21      ARG   8   5.962  -6.919   2.948
   72   2HH2  ARG   8          HH22      ARG   8   5.317  -8.443   3.460
   73    H    GLY   9           HN       GLY   9   5.960  -4.809  -3.494
   74   1HA   GLY   9          HA2       GLY   9   7.155  -3.878  -5.998
   75   2HA   GLY   9          HA1       GLY   9   6.595  -5.550  -6.060
   76    H    SER  10           HN       SER  10   4.315  -5.277  -4.375
   77    HA   SER  10           HA       SER  10   2.545  -3.166  -4.906
   78   1HB   SER  10          HB2       SER  10   3.162  -4.871  -7.214
   79   2HB   SER  10          HB1       SER  10   1.433  -4.720  -6.913
   80    HG   SER  10           HG       SER  10   3.310  -2.812  -7.663
   81    HA   PRO  11           HA       PRO  11  -0.071  -7.203  -4.233
   82   1HB   PRO  11          HB2       PRO  11   1.797  -9.350  -3.800
   83   2HB   PRO  11          HB1       PRO  11   0.586  -9.201  -5.077
   84   1HG   PRO  11          HG2       PRO  11   3.432  -8.979  -5.327
   85   2HG   PRO  11          HG1       PRO  11   2.215  -8.804  -6.594
   86   1HD   PRO  11          HD2       PRO  11   3.824  -6.740  -5.383
   87   2HD   PRO  11          HD1       PRO  11   2.609  -6.565  -6.670
   88    H    GLU  12           HN       GLU  12   2.829  -6.186  -2.722
   89    HA   GLU  12           HA       GLU  12   2.201  -7.416  -0.100
   90   1HB   GLU  12          HB2       GLU  12   4.493  -6.624  -1.487
   91   2HB   GLU  12          HB1       GLU  12   4.320  -5.407  -0.222
   92   1HG   GLU  12          HG2       GLU  12   5.594  -7.140   0.784
   93   2HG   GLU  12          HG1       GLU  12   3.954  -7.378   1.389
   94    H    CYS  13           HN       CYS  13   2.535  -4.146  -1.518
   95    HA   CYS  13           HA       CYS  13   1.670  -2.717   0.827
   96   1HB   CYS  13          HB2       CYS  13   2.862  -1.460  -0.737
   97   2HB   CYS  13          HB1       CYS  13   2.056  -2.212  -2.108
   98    H    LEU  14           HN       LEU  14  -0.046  -4.578  -1.527
   99    HA   LEU  14           HA       LEU  14  -2.577  -3.172  -1.394
  100   1HB   LEU  14          HB2       LEU  14  -1.395  -5.558  -2.597
  101   2HB   LEU  14          HB1       LEU  14  -3.062  -5.827  -2.089
  102    HG   LEU  14           HG       LEU  14  -2.300  -3.351  -3.628
  103   1HD1  LEU  14          HD11      LEU  14  -2.080  -6.023  -4.587
  104   2HD1  LEU  14          HD12      LEU  14  -1.965  -4.527  -5.515
  105   3HD1  LEU  14          HD13      LEU  14  -3.526  -5.323  -5.314
  106   1HD2  LEU  14          HD21      LEU  14  -4.497  -2.965  -3.274
  107   2HD2  LEU  14          HD22      LEU  14  -4.710  -4.566  -2.563
  108   3HD2  LEU  14          HD23      LEU  14  -4.845  -4.350  -4.309
  109    HA   PRO  15           HA       PRO  15  -3.815  -6.756   1.651
  110   1HB   PRO  15          HB2       PRO  15  -1.369  -7.797   2.751
  111   2HB   PRO  15          HB1       PRO  15  -2.585  -8.655   1.801
  112   1HG   PRO  15          HG2       PRO  15   0.050  -7.834   0.984
  113   2HG   PRO  15          HG1       PRO  15  -1.149  -8.738   0.056
  114   1HD   PRO  15          HD2       PRO  15  -0.321  -6.023  -0.354
  115   2HD   PRO  15          HD1       PRO  15  -1.598  -6.910  -1.216
  116    H    LYS  16           HN       LYS  16  -0.638  -5.267   2.399
  117    HA   LYS  16           HA       LYS  16  -1.131  -4.737   5.157
  118   1HB   LYS  16          HB2       LYS  16   0.516  -3.138   3.170
  119   2HB   LYS  16          HB1       LYS  16   0.782  -3.250   4.911
  120   1HG   LYS  16          HG2       LYS  16   0.660  -5.871   3.598
  121   2HG   LYS  16          HG1       LYS  16   1.980  -4.863   3.006
  122   1HD   LYS  16          HD2       LYS  16   1.414  -5.560   5.902
  123   2HD   LYS  16          HD1       LYS  16   2.750  -6.165   4.924
  124   1HE   LYS  16          HE2       LYS  16   3.968  -4.379   5.605
  125   2HE   LYS  16          HE1       LYS  16   2.836  -3.331   4.726
  126   1HZ   LYS  16          HZ1       LYS  16   1.580  -2.961   6.577
  127   2HZ   LYS  16          HZ2       LYS  16   3.095  -3.151   7.322
  128   3HZ   LYS  16          HZ3       LYS  16   1.988  -4.440   7.301
  129    H    CYS  17           HN       CYS  17  -1.853  -2.832   2.233
  130    HA   CYS  17           HA       CYS  17  -2.737  -0.449   3.569
  131   1HB   CYS  17          HB2       CYS  17  -2.128  -0.787   1.134
  132   2HB   CYS  17          HB1       CYS  17  -3.674  -1.612   0.929
  133    H    LYS  18           HN       LYS  18  -4.520  -3.315   2.380
  134    HA   LYS  18           HA       LYS  18  -7.151  -2.505   3.009
  135   1HB   LYS  18          HB2       LYS  18  -6.419  -4.543   1.756
  136   2HB   LYS  18          HB1       LYS  18  -5.881  -5.252   3.278
  137   1HG   LYS  18          HG2       LYS  18  -8.098  -5.353   4.137
  138   2HG   LYS  18          HG1       LYS  18  -8.715  -4.278   2.881
  139   1HD   LYS  18          HD2       LYS  18  -9.356  -6.548   2.318
  140   2HD   LYS  18          HD1       LYS  18  -8.115  -6.024   1.180
  141   1HE   LYS  18          HE2       LYS  18  -7.411  -8.200   1.844
  142   2HE   LYS  18          HE1       LYS  18  -6.433  -7.114   2.850
  143   1HZ   LYS  18          HZ1       LYS  18  -8.530  -8.912   3.630
  144   2HZ   LYS  18          HZ2       LYS  18  -8.778  -7.336   4.216
  145   3HZ   LYS  18          HZ3       LYS  18  -7.342  -8.167   4.582
  146    H    GLU  19           HN       GLU  19  -4.697  -4.055   5.082
  147    HA   GLU  19           HA       GLU  19  -6.442  -4.160   7.418
  148   1HB   GLU  19          HB2       GLU  19  -3.835  -5.052   6.540
  149   2HB   GLU  19          HB1       GLU  19  -3.708  -4.320   8.140
  150   1HG   GLU  19          HG2       GLU  19  -5.836  -5.747   8.677
  151   2HG   GLU  19          HG1       GLU  19  -5.336  -6.695   7.276
  152    H    ALA  20           HN       ALA  20  -4.466  -1.748   5.935
  153    HA   ALA  20           HA       ALA  20  -4.249  -0.167   8.452
  154   1HB   ALA  20          HB1       ALA  20  -2.985   1.294   6.591
  155   2HB   ALA  20          HB2       ALA  20  -2.952  -0.263   5.763
  156   3HB   ALA  20          HB3       ALA  20  -2.214  -0.094   7.356
  157    H    ILE  21           HN       ILE  21  -5.250   0.376   5.043
  158    HA   ILE  21           HA       ILE  21  -6.787   2.757   5.845
  159    HB   ILE  21           HB       ILE  21  -5.322   2.202   3.700
  160   1HG1  ILE  21          HG12      ILE  21  -7.846   3.585   2.963
  161   2HG1  ILE  21          HG11      ILE  21  -7.010   4.201   4.390
  162   1HG2  ILE  21          HG21      ILE  21  -6.527   1.343   1.840
  163   2HG2  ILE  21          HG22      ILE  21  -8.069   1.450   2.689
  164   3HG2  ILE  21          HG23      ILE  21  -6.883   0.234   3.165
  165   1HD1  ILE  21          HD11      ILE  21  -5.844   5.399   2.823
  166   2HD1  ILE  21          HD12      ILE  21  -6.165   4.232   1.541
  167   3HD1  ILE  21          HD13      ILE  21  -4.900   3.914   2.726
  168    H    GLY  22           HN       GLY  22  -7.372  -0.619   5.379
  169   1HA   GLY  22          HA2       GLY  22  -9.517  -1.495   6.269
  170   2HA   GLY  22          HA1       GLY  22 -10.311  -0.093   5.553
  171    H    LYS  23           HN       LYS  23  -8.808  -0.241   3.043
  172    HA   LYS  23           HA       LYS  23  -9.788  -2.837   1.917
  173   1HB   LYS  23          HB2       LYS  23 -11.346  -0.758   1.743
  174   2HB   LYS  23          HB1       LYS  23 -10.186  -0.177   0.548
  175   1HG   LYS  23          HG2       LYS  23 -11.790  -1.345  -0.738
  176   2HG   LYS  23          HG1       LYS  23 -10.461  -2.492  -0.566
  177   1HD   LYS  23          HD2       LYS  23 -12.090  -3.913   0.150
  178   2HD   LYS  23          HD1       LYS  23 -11.919  -3.047   1.677
  179   1HE   LYS  23          HE2       LYS  23 -14.259  -2.979   1.210
  180   2HE   LYS  23          HE1       LYS  23 -13.667  -1.388   0.692
  181   1HZ   LYS  23          HZ1       LYS  23 -15.034  -2.563  -1.009
  182   2HZ   LYS  23          HZ2       LYS  23 -13.823  -3.753  -1.096
  183   3HZ   LYS  23          HZ3       LYS  23 -13.477  -2.150  -1.539
  184    H    ALA  24           HN       ALA  24  -8.307  -3.725   0.513
  185    HA   ALA  24           HA       ALA  24  -5.711  -2.543   0.127
  186   1HB   ALA  24          HB1       ALA  24  -5.309  -4.691  -0.456
  187   2HB   ALA  24          HB2       ALA  24  -6.437  -4.583  -1.808
  188   3HB   ALA  24          HB3       ALA  24  -7.025  -5.010  -0.201
  189    H    ALA  25           HN       ALA  25  -6.065  -0.465  -0.889
  190    HA   ALA  25           HA       ALA  25  -6.681  -0.668  -3.808
  191   1HB   ALA  25          HB1       ALA  25  -8.280   0.500  -1.737
  192   2HB   ALA  25          HB2       ALA  25  -8.598   0.475  -3.472
  193   3HB   ALA  25          HB3       ALA  25  -7.676   1.801  -2.763
  194    H    GLY  26           HN       GLY  26  -4.137  -0.577  -3.422
  195   1HA   GLY  26          HA2       GLY  26  -3.320   2.163  -4.061
  196   2HA   GLY  26          HA1       GLY  26  -2.649   1.546  -2.549
  197    H    LYS  27           HN       LYS  27  -0.581   1.885  -3.881
  198    HA   LYS  27           HA       LYS  27   0.075  -0.695  -5.238
  199   1HB   LYS  27          HB2       LYS  27   0.955   1.993  -6.305
  200   2HB   LYS  27          HB1       LYS  27   0.951   0.439  -7.136
  201   1HG   LYS  27          HG2       LYS  27  -1.468   0.418  -7.225
  202   2HG   LYS  27          HG1       LYS  27  -1.562   1.859  -6.214
  203   1HD   LYS  27          HD2       LYS  27  -1.874   2.379  -8.630
  204   2HD   LYS  27          HD1       LYS  27  -0.464   3.189  -7.946
  205   1HE   LYS  27          HE2       LYS  27   0.031   0.487  -9.091
  206   2HE   LYS  27          HE1       LYS  27  -0.336   1.778 -10.251
  207   1HZ   LYS  27          HZ1       LYS  27   1.895   2.121  -9.929
  208   2HZ   LYS  27          HZ2       LYS  27   1.866   1.595  -8.314
  209   3HZ   LYS  27          HZ3       LYS  27   1.262   3.130  -8.722
  210    H    CYS  28           HN       CYS  28   2.562  -0.806  -5.539
  211    HA   CYS  28           HA       CYS  28   3.862   0.360  -3.105
  212   1HB   CYS  28          HB2       CYS  28   3.819  -2.009  -2.983
  213   2HB   CYS  28          HB1       CYS  28   4.185  -2.185  -4.698
  214    H    MET  29           HN       MET  29   5.819   1.490  -3.369
  215    HA   MET  29           HA       MET  29   7.094   1.561  -6.052
  216   1HB   MET  29          HB2       MET  29   5.215   3.239  -5.939
  217   2HB   MET  29          HB1       MET  29   6.079   4.036  -4.623
  218   1HG   MET  29          HG2       MET  29   6.958   5.249  -6.362
  219   2HG   MET  29          HG1       MET  29   8.082   3.891  -6.415
  220   1HE   MET  29          HE1       MET  29   5.825   6.073  -8.499
  221   2HE   MET  29          HE2       MET  29   6.543   5.416  -9.967
  222   3HE   MET  29          HE3       MET  29   7.579   5.886  -8.621
  223    H    ASN  30           HN       ASN  30   9.228   1.255  -5.564
  224    HA   ASN  30           HA       ASN  30  11.318   1.485  -4.496
  225   1HB   ASN  30          HB2       ASN  30   9.840   4.057  -4.016
  226   2HB   ASN  30          HB1       ASN  30  11.434   3.822  -3.296
  227   1HD2  ASN  30          HD21      ASN  30  11.837   5.731  -4.947
  228   2HD2  ASN  30          HD22      ASN  30  12.328   5.269  -6.505
  229    H    GLY  31           HN       GLY  31   9.177   0.074  -3.026
  230   1HA   GLY  31          HA2       GLY  31   9.158  -0.973  -0.902
  231   2HA   GLY  31          HA1       GLY  31  10.440   0.122  -0.388
  232    H    LYS  32           HN       LYS  32   7.558   1.454  -1.822
  233    HA   LYS  32           HA       LYS  32   6.630   2.291   0.909
  234   1HB   LYS  32          HB2       LYS  32   7.260   3.806  -1.588
  235   2HB   LYS  32          HB1       LYS  32   5.893   4.369  -0.628
  236   1HG   LYS  32          HG2       LYS  32   7.692   3.985   1.349
  237   2HG   LYS  32          HG1       LYS  32   8.792   4.371   0.025
  238   1HD   LYS  32          HD2       LYS  32   8.178   6.436   1.150
  239   2HD   LYS  32          HD1       LYS  32   7.426   6.416  -0.445
  240   1HE   LYS  32          HE2       LYS  32   5.804   5.204   1.729
  241   2HE   LYS  32          HE1       LYS  32   6.037   6.959   1.831
  242   1HZ   LYS  32          HZ1       LYS  32   4.466   5.478  -0.019
  243   2HZ   LYS  32          HZ2       LYS  32   5.624   6.405  -0.844
  244   3HZ   LYS  32          HZ3       LYS  32   4.533   7.154   0.220
  245    H    CYS  33           HN       CYS  33   4.316   2.549   1.095
  246    HA   CYS  33           HA       CYS  33   2.786   1.066  -1.007
  247   1HB   CYS  33          HB2       CYS  33   2.926   0.193   1.338
  248   2HB   CYS  33          HB1       CYS  33   2.140   1.667   1.897
  249    H    LYS  34           HN       LYS  34   1.582   2.375  -2.322
  250    HA   LYS  34           HA       LYS  34   0.671   5.026  -1.267
  251   1HB   LYS  34          HB2       LYS  34   1.287   3.880  -3.994
  252   2HB   LYS  34          HB1       LYS  34   0.394   5.391  -3.817
  253   1HG   LYS  34          HG2       LYS  34   2.335   6.125  -2.270
  254   2HG   LYS  34          HG1       LYS  34   3.225   4.777  -2.979
  255   1HD   LYS  34          HD2       LYS  34   1.871   6.933  -4.622
  256   2HD   LYS  34          HD1       LYS  34   3.573   6.983  -4.161
  257   1HE   LYS  34          HE2       LYS  34   3.237   4.409  -5.207
  258   2HE   LYS  34          HE1       LYS  34   2.303   5.455  -6.295
  259   1HZ   LYS  34          HZ1       LYS  34   4.120   6.734  -6.790
  260   2HZ   LYS  34          HZ2       LYS  34   4.874   5.225  -6.592
  261   3HZ   LYS  34          HZ3       LYS  34   4.924   6.373  -5.341
  262    H    CYS  35           HN       CYS  35  -1.459   5.007  -0.642
  263    HA   CYS  35           HA       CYS  35  -3.366   3.283  -2.196
  264   1HB   CYS  35          HB2       CYS  35  -3.229   4.067   0.731
  265   2HB   CYS  35          HB1       CYS  35  -4.627   3.266   0.013
  266    H    TYR  36           HN       TYR  36  -5.260   4.304  -2.914
  267    HA   TYR  36           HA       TYR  36  -5.270   7.224  -2.926
  268   1HB   TYR  36          HB2       TYR  36  -6.606   4.963  -4.253
  269   2HB   TYR  36          HB1       TYR  36  -7.645   6.373  -4.033
  270    HD1  TYR  36           HD1      TYR  36  -4.005   5.838  -4.808
  271    HD2  TYR  36           HD2      TYR  36  -7.693   7.748  -5.908
  272    HE1  TYR  36           HE1      TYR  36  -2.855   6.976  -6.688
  273    HE2  TYR  36           HE2      TYR  36  -6.543   8.885  -7.788
  274    HH   TYR  36           HH       TYR  36  -4.607   8.705  -9.135
  275    HA   PRO  37           HA       PRO  37  -9.377   6.533  -0.438
  276   1HB   PRO  37          HB2       PRO  37  -9.175   3.962   0.837
  277   2HB   PRO  37          HB1       PRO  37 -10.378   4.501  -0.338
  278   1HG   PRO  37          HG2       PRO  37  -8.256   2.622  -0.744
  279   2HG   PRO  37          HG1       PRO  37  -9.437   3.192  -1.926
  280   1HD   PRO  37          HD2       PRO  37  -6.621   3.824  -1.773
  281   2HD   PRO  37          HD1       PRO  37  -7.804   4.366  -2.988
  Start of MODEL   14
    1   1H    VAL   1          HT1       VAL   1  -3.807   7.486   0.304
    2   2H    VAL   1          HT2       VAL   1  -3.013   8.222  -1.004
    3   3H    VAL   1          HT3       VAL   1  -4.041   9.136  -0.006
    4    HA   VAL   1           HA       VAL   1  -1.770   9.641   0.577
    5    HB   VAL   1           HB       VAL   1  -1.988   8.962   2.975
    6   1HG1  VAL   1          HG11      VAL   1  -4.770   9.509   2.611
    7   2HG1  VAL   1          HG12      VAL   1  -3.876  10.386   1.369
    8   3HG1  VAL   1          HG13      VAL   1  -3.491  10.632   3.071
    9   1HG2  VAL   1          HG21      VAL   1  -3.181   7.141   3.607
   10   2HG2  VAL   1          HG22      VAL   1  -3.174   6.691   1.903
   11   3HG2  VAL   1          HG23      VAL   1  -4.542   7.578   2.574
   12    H    PHE   2           HN       PHE   2   0.198   8.680   1.755
   13    HA   PHE   2           HA       PHE   2   0.762   5.924   0.701
   14   1HB   PHE   2          HB2       PHE   2   2.605   8.302   1.111
   15   2HB   PHE   2          HB1       PHE   2   3.077   6.745   0.432
   16    HD1  PHE   2           HD1      PHE   2   2.929   6.391  -1.878
   17    HD2  PHE   2           HD2      PHE   2   0.625   9.531  -0.069
   18    HE1  PHE   2           HE1      PHE   2   2.200   7.150  -4.124
   19    HE2  PHE   2           HE2      PHE   2  -0.103  10.290  -2.313
   20    HZ   PHE   2           HZ       PHE   2   0.684   9.100  -4.341
   21    H    ILE   3           HN       ILE   3   2.386   4.712   2.010
   22    HA   ILE   3           HA       ILE   3   2.545   5.602   4.863
   23    HB   ILE   3           HB       ILE   3   2.246   2.723   4.616
   24   1HG1  ILE   3          HG12      ILE   3  -0.069   4.382   3.556
   25   2HG1  ILE   3          HG11      ILE   3   0.926   3.298   2.584
   26   1HG2  ILE   3          HG21      ILE   3   0.943   3.016   6.484
   27   2HG2  ILE   3          HG22      ILE   3   0.153   4.456   5.840
   28   3HG2  ILE   3          HG23      ILE   3   1.783   4.567   6.503
   29   1HD1  ILE   3          HD11      ILE   3  -0.070   1.423   3.419
   30   2HD1  ILE   3          HD12      ILE   3  -1.387   2.532   3.802
   31   3HD1  ILE   3          HD13      ILE   3  -0.209   2.101   5.041
   32    H    ASN   4           HN       ASN   4   4.425   4.826   5.957
   33    HA   ASN   4           HA       ASN   4   6.643   4.053   4.156
   34   1HB   ASN   4          HB2       ASN   4   8.014   4.777   5.978
   35   2HB   ASN   4          HB1       ASN   4   6.650   5.894   5.944
   36   1HD2  ASN   4          HD21      ASN   4   8.176   5.385   8.345
   37   2HD2  ASN   4          HD22      ASN   4   7.152   4.616   9.459
   38    H    ALA   5           HN       ALA   5   4.797   1.951   4.430
   39    HA   ALA   5           HA       ALA   5   5.625   0.136   6.575
   40   1HB   ALA   5          HB1       ALA   5   4.137  -0.688   4.102
   41   2HB   ALA   5          HB2       ALA   5   3.368   0.441   5.217
   42   3HB   ALA   5          HB3       ALA   5   3.856  -1.158   5.778
   43    H    LYS   6           HN       LYS   6   7.312   1.154   3.990
   44    HA   LYS   6           HA       LYS   6   9.037   0.224   2.668
   45   1HB   LYS   6          HB2       LYS   6   8.883  -1.446   5.175
   46   2HB   LYS   6          HB1       LYS   6  10.093  -1.793   3.939
   47   1HG   LYS   6          HG2       LYS   6   9.726   0.994   5.037
   48   2HG   LYS   6          HG1       LYS   6  10.775  -0.178   5.834
   49   1HD   LYS   6          HD2       LYS   6  12.249  -0.294   4.010
   50   2HD   LYS   6          HD1       LYS   6  11.050   0.341   2.882
   51   1HE   LYS   6          HE2       LYS   6  11.149   2.526   4.228
   52   2HE   LYS   6          HE1       LYS   6  12.608   1.860   4.987
   53   1HZ   LYS   6          HZ1       LYS   6  13.272   1.306   2.579
   54   2HZ   LYS   6          HZ2       LYS   6  13.445   2.909   3.114
   55   3HZ   LYS   6          HZ3       LYS   6  12.122   2.473   2.141
   56    H    CYS   7           HN       CYS   7   6.577  -0.447   1.638
   57    HA   CYS   7           HA       CYS   7   5.875  -3.176   1.424
   58   1HB   CYS   7          HB2       CYS   7   4.820  -2.421  -0.695
   59   2HB   CYS   7          HB1       CYS   7   4.560  -1.257   0.605
   60    H    ARG   8           HN       ARG   8   6.479  -4.800  -0.114
   61    HA   ARG   8           HA       ARG   8   9.160  -4.354  -1.379
   62   1HB   ARG   8          HB2       ARG   8   7.740  -6.647  -0.064
   63   2HB   ARG   8          HB1       ARG   8   8.970  -7.000  -1.280
   64   1HG   ARG   8          HG2       ARG   8  10.686  -6.055  -0.018
   65   2HG   ARG   8          HG1       ARG   8   9.583  -5.028   0.898
   66   1HD   ARG   8          HD2       ARG   8   8.643  -7.449   1.658
   67   2HD   ARG   8          HD1       ARG   8  10.345  -7.865   1.372
   68    HE   ARG   8           HE       ARG   8   9.428  -5.697   3.220
   69   1HH1  ARG   8          HH21      ARG   8  10.550  -8.126   4.453
   70   2HH1  ARG   8          HH22      ARG   8  12.226  -7.733   4.640
   71   1HH2  ARG   8          HH11      ARG   8  12.127  -5.079   2.412
   72   2HH2  ARG   8          HH12      ARG   8  13.118  -6.006   3.487
   73    H    GLY   9           HN       GLY   9   5.833  -5.269  -1.959
   74   1HA   GLY   9          HA2       GLY   9   6.426  -5.359  -4.868
   75   2HA   GLY   9          HA1       GLY   9   5.561  -6.722  -4.156
   76    H    SER  10           HN       SER  10   4.606  -4.781  -6.167
   77    HA   SER  10           HA       SER  10   2.836  -2.845  -5.073
   78   1HB   SER  10          HB2       SER  10   1.942  -4.241  -7.505
   79   2HB   SER  10          HB1       SER  10   2.361  -2.548  -7.273
   80    HG   SER  10           HG       SER  10   3.778  -4.101  -8.598
   81    HA   PRO  11           HA       PRO  11  -0.573  -6.297  -5.331
   82   1HB   PRO  11          HB2       PRO  11   0.763  -8.825  -5.016
   83   2HB   PRO  11          HB1       PRO  11  -0.187  -8.261  -6.392
   84   1HG   PRO  11          HG2       PRO  11   2.638  -8.639  -6.279
   85   2HG   PRO  11          HG1       PRO  11   1.693  -7.985  -7.621
   86   1HD   PRO  11          HD2       PRO  11   3.470  -6.575  -5.806
   87   2HD   PRO  11          HD1       PRO  11   2.623  -5.939  -7.238
   88    H    GLU  12           HN       GLU  12   2.369  -7.071  -3.460
   89    HA   GLU  12           HA       GLU  12   1.111  -8.166  -1.152
   90   1HB   GLU  12          HB2       GLU  12   3.687  -7.293  -2.061
   91   2HB   GLU  12          HB1       GLU  12   3.427  -6.655  -0.438
   92   1HG   GLU  12          HG2       GLU  12   2.498  -9.392  -0.602
   93   2HG   GLU  12          HG1       GLU  12   4.180  -9.282  -1.122
   94    H    CYS  13           HN       CYS  13   1.478  -4.847  -2.240
   95    HA   CYS  13           HA       CYS  13   1.009  -3.536   0.280
   96   1HB   CYS  13          HB2       CYS  13   1.406  -2.919  -2.497
   97   2HB   CYS  13          HB1       CYS  13   0.020  -2.000  -1.910
   98    H    LEU  14           HN       LEU  14  -1.136  -4.931  -2.157
   99    HA   LEU  14           HA       LEU  14  -3.574  -3.677  -1.510
  100   1HB   LEU  14          HB2       LEU  14  -2.597  -6.082  -2.824
  101   2HB   LEU  14          HB1       LEU  14  -4.128  -6.385  -2.004
  102    HG   LEU  14           HG       LEU  14  -4.974  -4.232  -3.105
  103   1HD1  LEU  14          HD11      LEU  14  -3.502  -4.136  -5.409
  104   2HD1  LEU  14          HD12      LEU  14  -2.245  -4.453  -4.214
  105   3HD1  LEU  14          HD13      LEU  14  -3.280  -3.036  -4.050
  106   1HD2  LEU  14          HD21      LEU  14  -4.963  -6.868  -3.946
  107   2HD2  LEU  14          HD22      LEU  14  -4.371  -6.006  -5.366
  108   3HD2  LEU  14          HD23      LEU  14  -5.930  -5.579  -4.662
  109    HA   PRO  15           HA       PRO  15  -4.326  -7.123   1.847
  110   1HB   PRO  15          HB2       PRO  15  -1.734  -8.144   2.567
  111   2HB   PRO  15          HB1       PRO  15  -3.094  -9.030   1.872
  112   1HG   PRO  15          HG2       PRO  15  -0.630  -8.257   0.588
  113   2HG   PRO  15          HG1       PRO  15  -1.959  -9.211  -0.077
  114   1HD   PRO  15          HD2       PRO  15  -1.233  -6.535  -0.777
  115   2HD   PRO  15          HD1       PRO  15  -2.655  -7.452  -1.336
  116    H    LYS  16           HN       LYS  16  -1.052  -5.666   1.975
  117    HA   LYS  16           HA       LYS  16  -1.064  -4.961   4.740
  118   1HB   LYS  16          HB2       LYS  16   0.358  -4.198   2.235
  119   2HB   LYS  16          HB1       LYS  16   0.505  -3.079   3.592
  120   1HG   LYS  16          HG2       LYS  16   1.180  -5.023   5.035
  121   2HG   LYS  16          HG1       LYS  16   1.200  -6.029   3.585
  122   1HD   LYS  16          HD2       LYS  16   2.724  -4.024   2.682
  123   2HD   LYS  16          HD1       LYS  16   3.064  -3.848   4.404
  124   1HE   LYS  16          HE2       LYS  16   3.137  -6.650   3.600
  125   2HE   LYS  16          HE1       LYS  16   4.299  -5.672   2.681
  126   1HZ   LYS  16          HZ1       LYS  16   4.770  -6.537   5.157
  127   2HZ   LYS  16          HZ2       LYS  16   4.049  -5.038   5.507
  128   3HZ   LYS  16          HZ3       LYS  16   5.437  -5.110   4.529
  129    H    CYS  17           HN       CYS  17  -1.964  -3.039   1.856
  130    HA   CYS  17           HA       CYS  17  -2.705  -0.647   3.204
  131   1HB   CYS  17          HB2       CYS  17  -2.364  -1.111   0.723
  132   2HB   CYS  17          HB1       CYS  17  -3.973  -1.834   0.720
  133    H    LYS  18           HN       LYS  18  -4.550  -3.604   2.505
  134    HA   LYS  18           HA       LYS  18  -7.144  -2.717   3.248
  135   1HB   LYS  18          HB2       LYS  18  -6.869  -4.821   2.172
  136   2HB   LYS  18          HB1       LYS  18  -5.664  -5.352   3.346
  137   1HG   LYS  18          HG2       LYS  18  -7.239  -6.072   4.807
  138   2HG   LYS  18          HG1       LYS  18  -8.243  -4.643   4.560
  139   1HD   LYS  18          HD2       LYS  18  -8.498  -5.923   2.144
  140   2HD   LYS  18          HD1       LYS  18  -8.387  -7.284   3.261
  141   1HE   LYS  18          HE2       LYS  18 -10.700  -6.807   3.259
  142   2HE   LYS  18          HE1       LYS  18 -10.131  -5.906   4.679
  143   1HZ   LYS  18          HZ1       LYS  18  -9.717  -4.008   3.113
  144   2HZ   LYS  18          HZ2       LYS  18 -11.355  -4.379   3.371
  145   3HZ   LYS  18          HZ3       LYS  18 -10.587  -4.867   1.937
  146    H    GLU  19           HN       GLU  19  -4.592  -4.238   5.248
  147    HA   GLU  19           HA       GLU  19  -6.092  -4.006   7.725
  148   1HB   GLU  19          HB2       GLU  19  -3.950  -5.421   6.822
  149   2HB   GLU  19          HB1       GLU  19  -3.124  -4.160   7.739
  150   1HG   GLU  19          HG2       GLU  19  -5.478  -5.486   9.016
  151   2HG   GLU  19          HG1       GLU  19  -3.975  -6.403   8.912
  152    H    ALA  20           HN       ALA  20  -3.921  -1.921   5.930
  153    HA   ALA  20           HA       ALA  20  -3.221  -0.152   8.113
  154   1HB   ALA  20          HB1       ALA  20  -2.145  -0.575   5.782
  155   2HB   ALA  20          HB2       ALA  20  -2.164   1.079   6.395
  156   3HB   ALA  20          HB3       ALA  20  -3.345   0.573   5.187
  157    H    ILE  21           HN       ILE  21  -5.658   0.031   5.494
  158    HA   ILE  21           HA       ILE  21  -7.039   2.174   7.081
  159    HB   ILE  21           HB       ILE  21  -7.793   2.878   4.701
  160   1HG1  ILE  21          HG12      ILE  21  -5.359   1.205   3.998
  161   2HG1  ILE  21          HG11      ILE  21  -7.022   0.731   3.651
  162   1HG2  ILE  21          HG21      ILE  21  -5.480   3.449   6.261
  163   2HG2  ILE  21          HG22      ILE  21  -6.277   4.494   5.086
  164   3HG2  ILE  21          HG23      ILE  21  -4.978   3.419   4.571
  165   1HD1  ILE  21          HD11      ILE  21  -5.374   2.901   2.420
  166   2HD1  ILE  21          HD12      ILE  21  -7.116   3.148   2.548
  167   3HD1  ILE  21          HD13      ILE  21  -6.483   1.766   1.653
  168    H    GLY  22           HN       GLY  22  -7.380  -0.710   5.057
  169   1HA   GLY  22          HA2       GLY  22  -9.223  -2.271   5.684
  170   2HA   GLY  22          HA1       GLY  22 -10.241  -0.852   5.921
  171    H    LYS  23           HN       LYS  23  -8.097  -0.734   3.230
  172    HA   LYS  23           HA       LYS  23 -10.195  -1.714   1.354
  173   1HB   LYS  23          HB2       LYS  23  -9.787   0.982   2.066
  174   2HB   LYS  23          HB1       LYS  23  -9.051   0.802   0.472
  175   1HG   LYS  23          HG2       LYS  23 -11.386  -0.614   0.174
  176   2HG   LYS  23          HG1       LYS  23 -11.889   0.690   1.250
  177   1HD   LYS  23          HD2       LYS  23 -10.158   1.542  -0.985
  178   2HD   LYS  23          HD1       LYS  23 -11.738   0.924  -1.471
  179   1HE   LYS  23          HE2       LYS  23 -12.845   2.498   0.083
  180   2HE   LYS  23          HE1       LYS  23 -11.257   3.127   0.569
  181   1HZ   LYS  23          HZ1       LYS  23 -12.301   3.067  -2.214
  182   2HZ   LYS  23          HZ2       LYS  23 -10.795   3.681  -1.728
  183   3HZ   LYS  23          HZ3       LYS  23 -12.227   4.447  -1.231
  184    H    ALA  24           HN       ALA  24  -9.177  -2.965  -0.162
  185    HA   ALA  24           HA       ALA  24  -6.253  -2.942  -0.399
  186   1HB   ALA  24          HB1       ALA  24  -7.785  -4.475  -2.364
  187   2HB   ALA  24          HB2       ALA  24  -8.349  -4.752  -0.716
  188   3HB   ALA  24          HB3       ALA  24  -6.661  -5.049  -1.131
  189    H    ALA  25           HN       ALA  25  -6.112  -0.671  -1.250
  190    HA   ALA  25           HA       ALA  25  -6.308  -0.666  -4.213
  191   1HB   ALA  25          HB1       ALA  25  -7.289   1.842  -3.364
  192   2HB   ALA  25          HB2       ALA  25  -8.125   0.643  -2.376
  193   3HB   ALA  25          HB3       ALA  25  -8.211   0.551  -4.136
  194    H    GLY  26           HN       GLY  26  -3.882  -0.801  -3.391
  195   1HA   GLY  26          HA2       GLY  26  -2.784   1.911  -3.649
  196   2HA   GLY  26          HA1       GLY  26  -2.413   1.113  -2.121
  197    H    LYS  27           HN       LYS  27  -0.543   1.868  -4.264
  198    HA   LYS  27           HA       LYS  27   0.409  -0.848  -5.107
  199   1HB   LYS  27          HB2       LYS  27   1.052   1.885  -6.257
  200   2HB   LYS  27          HB1       LYS  27   1.437   0.321  -6.976
  201   1HG   LYS  27          HG2       LYS  27  -1.180  -0.049  -6.767
  202   2HG   LYS  27          HG1       LYS  27  -1.206   1.716  -6.774
  203   1HD   LYS  27          HD2       LYS  27   0.604   0.756  -8.808
  204   2HD   LYS  27          HD1       LYS  27  -0.977   0.003  -9.012
  205   1HE   LYS  27          HE2       LYS  27  -1.899   1.948  -9.730
  206   2HE   LYS  27          HE1       LYS  27  -1.183   2.859  -8.386
  207   1HZ   LYS  27          HZ1       LYS  27   0.236   1.954 -10.837
  208   2HZ   LYS  27          HZ2       LYS  27   0.962   2.754  -9.526
  209   3HZ   LYS  27          HZ3       LYS  27  -0.198   3.553 -10.476
  210    H    CYS  28           HN       CYS  28   2.972  -0.647  -5.480
  211    HA   CYS  28           HA       CYS  28   4.121   0.632  -3.018
  212   1HB   CYS  28          HB2       CYS  28   4.040  -1.786  -2.839
  213   2HB   CYS  28          HB1       CYS  28   4.748  -1.971  -4.444
  214    H    MET  29           HN       MET  29   5.966   1.884  -3.330
  215    HA   MET  29           HA       MET  29   7.401   1.724  -5.931
  216   1HB   MET  29          HB2       MET  29   5.614   3.317  -6.315
  217   2HB   MET  29          HB1       MET  29   5.973   4.149  -4.804
  218   1HG   MET  29          HG2       MET  29   8.403   4.066  -6.248
  219   2HG   MET  29          HG1       MET  29   7.160   4.546  -7.404
  220   1HE   MET  29          HE1       MET  29   9.613   5.927  -6.491
  221   2HE   MET  29          HE2       MET  29   9.357   7.506  -5.752
  222   3HE   MET  29          HE3       MET  29   8.703   7.176  -7.354
  223    H    ASN  30           HN       ASN  30   9.511   1.536  -5.292
  224    HA   ASN  30           HA       ASN  30  11.552   2.081  -4.227
  225   1HB   ASN  30          HB2       ASN  30  10.076   4.415  -4.527
  226   2HB   ASN  30          HB1       ASN  30  10.501   4.421  -2.815
  227   1HD2  ASN  30          HD21      ASN  30  11.702   5.088  -5.957
  228   2HD2  ASN  30          HD22      ASN  30  13.342   5.249  -5.547
  229    H    GLY  31           HN       GLY  31   8.854   1.038  -2.723
  230   1HA   GLY  31          HA2       GLY  31   9.096  -0.319  -0.686
  231   2HA   GLY  31          HA1       GLY  31  10.255   0.870  -0.093
  232    H    LYS  32           HN       LYS  32   7.519   2.213  -1.658
  233    HA   LYS  32           HA       LYS  32   6.275   2.792   1.012
  234   1HB   LYS  32          HB2       LYS  32   6.766   4.518  -1.432
  235   2HB   LYS  32          HB1       LYS  32   5.705   5.013  -0.113
  236   1HG   LYS  32          HG2       LYS  32   8.359   4.027   0.738
  237   2HG   LYS  32          HG1       LYS  32   8.387   5.530  -0.187
  238   1HD   LYS  32          HD2       LYS  32   6.627   6.438   1.356
  239   2HD   LYS  32          HD1       LYS  32   6.800   4.981   2.335
  240   1HE   LYS  32          HE2       LYS  32   9.326   5.561   2.411
  241   2HE   LYS  32          HE1       LYS  32   8.825   7.174   1.868
  242   1HZ   LYS  32          HZ1       LYS  32   7.674   7.568   3.764
  243   2HZ   LYS  32          HZ2       LYS  32   8.815   6.492   4.417
  244   3HZ   LYS  32          HZ3       LYS  32   7.262   5.941   4.000
  245    H    CYS  33           HN       CYS  33   4.008   2.644   1.084
  246    HA   CYS  33           HA       CYS  33   2.724   1.332  -1.249
  247   1HB   CYS  33          HB2       CYS  33   2.676   0.764   1.348
  248   2HB   CYS  33          HB1       CYS  33   1.357   1.934   1.348
  249    H    LYS  34           HN       LYS  34   1.426   2.474  -2.628
  250    HA   LYS  34           HA       LYS  34   0.648   5.252  -1.869
  251   1HB   LYS  34          HB2       LYS  34   0.459   3.866  -4.555
  252   2HB   LYS  34          HB1       LYS  34   0.507   5.600  -4.238
  253   1HG   LYS  34          HG2       LYS  34   2.801   5.487  -3.518
  254   2HG   LYS  34          HG1       LYS  34   2.775   3.724  -3.529
  255   1HD   LYS  34          HD2       LYS  34   3.897   4.542  -5.546
  256   2HD   LYS  34          HD1       LYS  34   2.375   3.767  -5.983
  257   1HE   LYS  34          HE2       LYS  34   1.371   6.183  -5.782
  258   2HE   LYS  34          HE1       LYS  34   3.056   6.702  -5.968
  259   1HZ   LYS  34          HZ1       LYS  34   1.366   5.889  -7.986
  260   2HZ   LYS  34          HZ2       LYS  34   2.423   4.579  -7.759
  261   3HZ   LYS  34          HZ3       LYS  34   3.041   6.124  -8.104
  262    H    CYS  35           HN       CYS  35  -1.126   4.396  -0.460
  263    HA   CYS  35           HA       CYS  35  -3.348   2.974  -1.775
  264   1HB   CYS  35          HB2       CYS  35  -2.795   4.088   0.985
  265   2HB   CYS  35          HB1       CYS  35  -4.324   3.314   0.569
  266    H    TYR  36           HN       TYR  36  -5.394   3.921  -2.201
  267    HA   TYR  36           HA       TYR  36  -5.361   6.788  -2.755
  268   1HB   TYR  36          HB2       TYR  36  -7.054   4.411  -3.270
  269   2HB   TYR  36          HB1       TYR  36  -7.905   5.958  -3.237
  270    HD1  TYR  36           HD1      TYR  36  -7.778   7.438  -5.076
  271    HD2  TYR  36           HD2      TYR  36  -4.955   4.220  -4.728
  272    HE1  TYR  36           HE1      TYR  36  -6.914   7.949  -7.344
  273    HE2  TYR  36           HE2      TYR  36  -4.091   4.730  -6.995
  274    HH   TYR  36           HH       TYR  36  -4.854   7.610  -8.647
  275    HA   PRO  37           HA       PRO  37  -8.973   6.833   0.512
  276   1HB   PRO  37          HB2       PRO  37  -8.612   4.500   2.157
  277   2HB   PRO  37          HB1       PRO  37 -10.005   4.923   1.157
  278   1HG   PRO  37          HG2       PRO  37  -7.998   2.900   0.670
  279   2HG   PRO  37          HG1       PRO  37  -9.459   3.247  -0.262
  280   1HD   PRO  37          HD2       PRO  37  -6.770   3.756  -1.049
  281   2HD   PRO  37          HD1       PRO  37  -8.250   4.287  -1.885
  Start of MODEL   15
    1   1H    VAL   1          HT1       VAL   1  -2.799   9.736   0.932
    2   2H    VAL   1          HT2       VAL   1  -4.311  10.163   1.578
    3   3H    VAL   1          HT3       VAL   1  -4.148   8.746   0.655
    4    HA   VAL   1           HA       VAL   1  -3.007   9.259   3.354
    5    HB   VAL   1           HB       VAL   1  -5.171   7.518   2.150
    6   1HG1  VAL   1          HG11      VAL   1  -4.733   5.952   3.707
    7   2HG1  VAL   1          HG12      VAL   1  -5.046   7.156   4.957
    8   3HG1  VAL   1          HG13      VAL   1  -3.406   6.920   4.351
    9   1HG2  VAL   1          HG21      VAL   1  -6.281   9.416   2.787
   10   2HG2  VAL   1          HG22      VAL   1  -5.008   9.904   3.906
   11   3HG2  VAL   1          HG23      VAL   1  -6.186   8.682   4.387
   12    H    PHE   2           HN       PHE   2  -0.857   8.828   2.224
   13    HA   PHE   2           HA       PHE   2  -0.466   6.008   1.355
   14   1HB   PHE   2          HB2       PHE   2   1.138   8.570   1.284
   15   2HB   PHE   2          HB1       PHE   2   1.859   7.020   0.862
   16    HD1  PHE   2           HD1      PHE   2  -1.491   6.674  -0.004
   17    HD2  PHE   2           HD2      PHE   2   2.065   8.724  -1.279
   18    HE1  PHE   2           HE1      PHE   2  -2.418   6.862  -2.293
   19    HE2  PHE   2           HE2      PHE   2   1.134   8.911  -3.567
   20    HZ   PHE   2           HZ       PHE   2  -1.108   7.982  -4.075
   21    H    ILE   3           HN       ILE   3   1.457   4.854   2.265
   22    HA   ILE   3           HA       ILE   3   2.058   5.670   5.087
   23    HB   ILE   3           HB       ILE   3   1.715   3.381   5.761
   24   1HG1  ILE   3          HG12      ILE   3   1.278   2.741   2.829
   25   2HG1  ILE   3          HG11      ILE   3   2.766   2.393   3.709
   26   1HG2  ILE   3          HG21      ILE   3  -0.330   4.806   5.345
   27   2HG2  ILE   3          HG22      ILE   3  -0.624   3.069   5.243
   28   3HG2  ILE   3          HG23      ILE   3  -0.476   4.026   3.769
   29   1HD1  ILE   3          HD11      ILE   3   0.641   0.664   3.502
   30   2HD1  ILE   3          HD12      ILE   3   0.322   1.443   5.052
   31   3HD1  ILE   3          HD13      ILE   3   1.852   0.610   4.783
   32    H    ASN   4           HN       ASN   4   4.204   5.280   5.730
   33    HA   ASN   4           HA       ASN   4   6.155   4.945   3.586
   34   1HB   ASN   4          HB2       ASN   4   7.661   5.727   5.201
   35   2HB   ASN   4          HB1       ASN   4   6.140   6.437   5.737
   36   1HD2  ASN   4          HD21      ASN   4   4.949   4.113   6.944
   37   2HD2  ASN   4          HD22      ASN   4   5.880   3.684   8.295
   38    H    ALA   5           HN       ALA   5   4.355   2.590   4.734
   39    HA   ALA   5           HA       ALA   5   5.856   0.624   6.006
   40   1HB   ALA   5          HB1       ALA   5   3.558   0.275   5.423
   41   2HB   ALA   5          HB2       ALA   5   4.468  -0.939   4.526
   42   3HB   ALA   5          HB3       ALA   5   3.887   0.512   3.707
   43    H    LYS   6           HN       LYS   6   6.874  -1.367   4.868
   44    HA   LYS   6           HA       LYS   6   8.628  -0.403   2.630
   45   1HB   LYS   6          HB2       LYS   6   9.711  -0.796   4.813
   46   2HB   LYS   6          HB1       LYS   6   9.105  -2.452   4.808
   47   1HG   LYS   6          HG2       LYS   6  11.394  -2.495   4.014
   48   2HG   LYS   6          HG1       LYS   6  10.332  -2.819   2.644
   49   1HD   LYS   6          HD2       LYS   6  11.404  -1.135   1.588
   50   2HD   LYS   6          HD1       LYS   6  10.525  -0.047   2.664
   51   1HE   LYS   6          HE2       LYS   6  12.367   0.344   3.990
   52   2HE   LYS   6          HE1       LYS   6  13.005  -1.297   3.761
   53   1HZ   LYS   6          HZ1       LYS   6  13.118  -0.450   1.277
   54   2HZ   LYS   6          HZ2       LYS   6  14.392  -0.182   2.368
   55   3HZ   LYS   6          HZ3       LYS   6  13.274   1.055   2.043
   56    H    CYS   7           HN       CYS   7   6.604  -1.269   1.384
   57    HA   CYS   7           HA       CYS   7   5.841  -3.956   1.200
   58   1HB   CYS   7          HB2       CYS   7   5.494  -3.337  -1.272
   59   2HB   CYS   7          HB1       CYS   7   4.732  -2.273  -0.090
   60    H    ARG   8           HN       ARG   8   6.519  -5.422  -0.789
   61    HA   ARG   8           HA       ARG   8   9.516  -5.421  -0.980
   62   1HB   ARG   8          HB2       ARG   8   7.494  -7.604  -0.463
   63   2HB   ARG   8          HB1       ARG   8   9.117  -7.979  -1.044
   64   1HG   ARG   8          HG2       ARG   8  10.128  -7.313   0.922
   65   2HG   ARG   8          HG1       ARG   8   8.873  -6.129   1.289
   66   1HD   ARG   8          HD2       ARG   8   7.727  -7.632   2.544
   67   2HD   ARG   8          HD1       ARG   8   7.800  -8.846   1.250
   68    HE   ARG   8           HE       ARG   8   9.646  -9.793   2.365
   69   1HH1  ARG   8          HH21      ARG   8   8.841  -6.787   3.768
   70   2HH1  ARG   8          HH22      ARG   8  10.323  -6.636   4.651
   71   1HH2  ARG   8          HH11      ARG   8  11.758  -9.467   3.258
   72   2HH2  ARG   8          HH12      ARG   8  11.975  -8.148   4.360
   73    H    GLY   9           HN       GLY   9   6.563  -5.377  -2.693
   74   1HA   GLY   9          HA2       GLY   9   7.978  -5.585  -5.243
   75   2HA   GLY   9          HA1       GLY   9   6.866  -6.925  -4.949
   76    H    SER  10           HN       SER  10   4.577  -6.265  -4.382
   77    HA   SER  10           HA       SER  10   3.549  -3.653  -4.828
   78   1HB   SER  10          HB2       SER  10   4.380  -5.174  -7.184
   79   2HB   SER  10          HB1       SER  10   2.698  -4.658  -7.279
   80    HG   SER  10           HG       SER  10   4.622  -2.838  -6.374
   81    HA   PRO  11           HA       PRO  11  -0.052  -6.839  -5.549
   82   1HB   PRO  11          HB2       PRO  11   1.076  -9.455  -5.145
   83   2HB   PRO  11          HB1       PRO  11   0.314  -8.814  -6.603
   84   1HG   PRO  11          HG2       PRO  11   3.116  -9.314  -6.124
   85   2HG   PRO  11          HG1       PRO  11   2.340  -8.763  -7.612
   86   1HD   PRO  11          HD2       PRO  11   4.012  -7.233  -5.876
   87   2HD   PRO  11          HD1       PRO  11   3.093  -6.642  -7.281
   88    H    GLU  12           HN       GLU  12   2.581  -7.015  -3.322
   89    HA   GLU  12           HA       GLU  12   1.036  -8.310  -1.168
   90   1HB   GLU  12          HB2       GLU  12   3.791  -7.584  -1.821
   91   2HB   GLU  12          HB1       GLU  12   3.388  -7.211  -0.144
   92   1HG   GLU  12          HG2       GLU  12   2.854  -9.448   0.356
   93   2HG   GLU  12          HG1       GLU  12   2.653  -9.874  -1.344
   94    H    CYS  13           HN       CYS  13   1.549  -5.119  -2.375
   95    HA   CYS  13           HA       CYS  13   1.261  -3.658   0.112
   96   1HB   CYS  13          HB2       CYS  13   1.737  -3.184  -2.654
   97   2HB   CYS  13          HB1       CYS  13   0.341  -2.209  -2.196
   98    H    LEU  14           HN       LEU  14  -1.033  -4.687  -2.433
   99    HA   LEU  14           HA       LEU  14  -3.345  -3.336  -1.623
  100   1HB   LEU  14          HB2       LEU  14  -2.610  -5.513  -3.278
  101   2HB   LEU  14          HB1       LEU  14  -3.940  -6.085  -2.270
  102    HG   LEU  14           HG       LEU  14  -5.342  -4.238  -2.944
  103   1HD1  LEU  14          HD11      LEU  14  -4.082  -2.853  -4.942
  104   2HD1  LEU  14          HD12      LEU  14  -2.746  -3.141  -3.826
  105   3HD1  LEU  14          HD13      LEU  14  -4.193  -2.300  -3.270
  106   1HD2  LEU  14          HD21      LEU  14  -5.623  -5.868  -4.569
  107   2HD2  LEU  14          HD22      LEU  14  -3.934  -5.805  -5.073
  108   3HD2  LEU  14          HD23      LEU  14  -5.052  -4.535  -5.571
  109    HA   PRO  15           HA       PRO  15  -4.309  -6.949   1.487
  110   1HB   PRO  15          HB2       PRO  15  -1.781  -8.133   2.185
  111   2HB   PRO  15          HB1       PRO  15  -3.168  -8.907   1.414
  112   1HG   PRO  15          HG2       PRO  15  -0.650  -8.212   0.220
  113   2HG   PRO  15          HG1       PRO  15  -2.034  -9.002  -0.539
  114   1HD   PRO  15          HD2       PRO  15  -1.094  -6.320  -0.963
  115   2HD   PRO  15          HD1       PRO  15  -2.514  -7.100  -1.693
  116    H    LYS  16           HN       LYS  16  -0.901  -5.890   1.933
  117    HA   LYS  16           HA       LYS  16  -1.146  -5.228   4.701
  118   1HB   LYS  16          HB2       LYS  16   0.673  -4.443   2.424
  119   2HB   LYS  16          HB1       LYS  16   0.905  -3.763   4.034
  120   1HG   LYS  16          HG2       LYS  16   1.057  -6.046   4.973
  121   2HG   LYS  16          HG1       LYS  16   0.851  -6.718   3.355
  122   1HD   LYS  16          HD2       LYS  16   2.950  -5.992   2.637
  123   2HD   LYS  16          HD1       LYS  16   3.036  -4.718   3.855
  124   1HE   LYS  16          HE2       LYS  16   2.815  -7.251   5.204
  125   2HE   LYS  16          HE1       LYS  16   4.144  -7.331   4.029
  126   1HZ   LYS  16          HZ1       LYS  16   4.437  -6.198   6.397
  127   2HZ   LYS  16          HZ2       LYS  16   3.854  -4.852   5.538
  128   3HZ   LYS  16          HZ3       LYS  16   5.263  -5.648   5.022
  129    H    CYS  17           HN       CYS  17  -1.845  -3.398   1.762
  130    HA   CYS  17           HA       CYS  17  -2.109  -0.810   3.035
  131   1HB   CYS  17          HB2       CYS  17  -1.663  -1.073   0.659
  132   2HB   CYS  17          HB1       CYS  17  -3.138  -2.017   0.449
  133    H    LYS  18           HN       LYS  18  -4.482  -3.290   2.008
  134    HA   LYS  18           HA       LYS  18  -6.848  -1.925   2.772
  135   1HB   LYS  18          HB2       LYS  18  -6.502  -4.095   1.458
  136   2HB   LYS  18          HB1       LYS  18  -6.321  -4.898   3.019
  137   1HG   LYS  18          HG2       LYS  18  -8.574  -3.758   3.625
  138   2HG   LYS  18          HG1       LYS  18  -8.750  -3.518   1.886
  139   1HD   LYS  18          HD2       LYS  18  -8.126  -6.081   1.776
  140   2HD   LYS  18          HD1       LYS  18  -8.691  -6.078   3.447
  141   1HE   LYS  18          HE2       LYS  18 -10.514  -4.604   1.706
  142   2HE   LYS  18          HE1       LYS  18 -10.320  -6.291   1.190
  143   1HZ   LYS  18          HZ1       LYS  18 -11.991  -5.767   3.065
  144   2HZ   LYS  18          HZ2       LYS  18 -10.613  -5.626   4.048
  145   3HZ   LYS  18          HZ3       LYS  18 -10.946  -7.090   3.253
  146    H    GLU  19           HN       GLU  19  -4.777  -4.136   4.670
  147    HA   GLU  19           HA       GLU  19  -6.370  -3.919   7.086
  148   1HB   GLU  19          HB2       GLU  19  -4.934  -5.838   6.514
  149   2HB   GLU  19          HB1       GLU  19  -3.511  -4.797   6.563
  150   1HG   GLU  19          HG2       GLU  19  -4.181  -4.246   8.974
  151   2HG   GLU  19          HG1       GLU  19  -5.305  -5.603   8.859
  152    H    ALA  20           HN       ALA  20  -3.846  -1.997   5.644
  153    HA   ALA  20           HA       ALA  20  -3.040  -0.680   8.140
  154   1HB   ALA  20          HB1       ALA  20  -1.755   0.731   6.497
  155   2HB   ALA  20          HB2       ALA  20  -2.547  -0.151   5.191
  156   3HB   ALA  20          HB3       ALA  20  -1.472  -0.999   6.303
  157    H    ILE  21           HN       ILE  21  -4.801   0.352   5.187
  158    HA   ILE  21           HA       ILE  21  -5.821   2.721   6.688
  159    HB   ILE  21           HB       ILE  21  -4.702   3.097   4.548
  160   1HG1  ILE  21          HG12      ILE  21  -7.716   3.415   4.470
  161   2HG1  ILE  21          HG11      ILE  21  -6.528   4.611   4.988
  162   1HG2  ILE  21          HG21      ILE  21  -6.099   0.690   3.847
  163   2HG2  ILE  21          HG22      ILE  21  -4.858   1.543   2.927
  164   3HG2  ILE  21          HG23      ILE  21  -6.558   1.960   2.712
  165   1HD1  ILE  21          HD11      ILE  21  -7.104   5.254   2.775
  166   2HD1  ILE  21          HD12      ILE  21  -7.052   3.590   2.195
  167   3HD1  ILE  21          HD13      ILE  21  -5.556   4.424   2.612
  168    H    GLY  22           HN       GLY  22  -6.840  -0.305   5.255
  169   1HA   GLY  22          HA2       GLY  22  -8.938  -1.335   5.993
  170   2HA   GLY  22          HA1       GLY  22  -9.621   0.283   6.164
  171    H    LYS  23           HN       LYS  23  -7.955   0.574   3.412
  172    HA   LYS  23           HA       LYS  23 -10.265  -0.345   1.729
  173   1HB   LYS  23          HB2       LYS  23  -8.347   1.984   1.369
  174   2HB   LYS  23          HB1       LYS  23  -9.727   1.616   0.334
  175   1HG   LYS  23          HG2       LYS  23 -10.582   1.700   3.086
  176   2HG   LYS  23          HG1       LYS  23  -9.722   3.188   2.687
  177   1HD   LYS  23          HD2       LYS  23 -11.982   3.606   2.077
  178   2HD   LYS  23          HD1       LYS  23 -11.157   3.255   0.557
  179   1HE   LYS  23          HE2       LYS  23 -13.250   1.993   0.613
  180   2HE   LYS  23          HE1       LYS  23 -11.907   0.848   0.800
  181   1HZ   LYS  23          HZ1       LYS  23 -13.983   1.308   2.593
  182   2HZ   LYS  23          HZ2       LYS  23 -12.584   1.945   3.314
  183   3HZ   LYS  23          HZ3       LYS  23 -12.625   0.320   2.821
  184    H    ALA  24           HN       ALA  24  -9.634  -2.102   0.537
  185    HA   ALA  24           HA       ALA  24  -6.871  -2.792   0.030
  186   1HB   ALA  24          HB1       ALA  24  -9.576  -3.716  -0.957
  187   2HB   ALA  24          HB2       ALA  24  -8.502  -4.521   0.187
  188   3HB   ALA  24          HB3       ALA  24  -8.081  -4.461  -1.524
  189    H    ALA  25           HN       ALA  25  -6.541  -0.430  -0.925
  190    HA   ALA  25           HA       ALA  25  -6.584  -0.706  -3.883
  191   1HB   ALA  25          HB1       ALA  25  -8.516   0.530  -3.826
  192   2HB   ALA  25          HB2       ALA  25  -7.398   1.877  -3.613
  193   3HB   ALA  25          HB3       ALA  25  -8.183   1.152  -2.209
  194    H    GLY  26           HN       GLY  26  -4.329  -0.611  -4.066
  195   1HA   GLY  26          HA2       GLY  26  -2.974   1.840  -4.042
  196   2HA   GLY  26          HA1       GLY  26  -2.678   1.125  -2.457
  197    H    LYS  27           HN       LYS  27  -0.435   1.395  -3.783
  198    HA   LYS  27           HA       LYS  27   0.253  -1.374  -4.625
  199   1HB   LYS  27          HB2       LYS  27   0.857   1.126  -6.241
  200   2HB   LYS  27          HB1       LYS  27   1.292  -0.527  -6.680
  201   1HG   LYS  27          HG2       LYS  27  -1.189  -1.081  -6.584
  202   2HG   LYS  27          HG1       LYS  27  -1.485   0.654  -6.466
  203   1HD   LYS  27          HD2       LYS  27   0.335   0.352  -8.590
  204   2HD   LYS  27          HD1       LYS  27  -0.861  -0.925  -8.809
  205   1HE   LYS  27          HE2       LYS  27  -2.292   0.622  -9.638
  206   2HE   LYS  27          HE1       LYS  27  -2.288   1.425  -8.055
  207   1HZ   LYS  27          HZ1       LYS  27  -0.626   1.968 -10.415
  208   2HZ   LYS  27          HZ2       LYS  27   0.037   2.242  -8.874
  209   3HZ   LYS  27          HZ3       LYS  27  -1.374   3.059  -9.353
  210    H    CYS  28           HN       CYS  28   2.837  -1.206  -5.187
  211    HA   CYS  28           HA       CYS  28   4.036   0.157  -2.809
  212   1HB   CYS  28          HB2       CYS  28   4.323  -2.212  -2.745
  213   2HB   CYS  28          HB1       CYS  28   4.731  -2.280  -4.460
  214    H    MET  29           HN       MET  29   5.418   1.836  -3.193
  215    HA   MET  29           HA       MET  29   6.911   1.954  -5.767
  216   1HB   MET  29          HB2       MET  29   4.815   3.844  -4.727
  217   2HB   MET  29          HB1       MET  29   6.129   4.474  -5.720
  218   1HG   MET  29          HG2       MET  29   5.006   2.038  -6.856
  219   2HG   MET  29          HG1       MET  29   3.778   3.287  -6.655
  220   1HE   MET  29          HE1       MET  29   3.203   3.423  -8.665
  221   2HE   MET  29          HE2       MET  29   4.264   2.988 -10.002
  222   3HE   MET  29          HE3       MET  29   3.816   4.673  -9.756
  223    H    ASN  30           HN       ASN  30   9.006   2.487  -5.284
  224    HA   ASN  30           HA       ASN  30  10.862   3.397  -4.137
  225   1HB   ASN  30          HB2       ASN  30   8.571   5.194  -3.768
  226   2HB   ASN  30          HB1       ASN  30   9.757   5.323  -2.469
  227   1HD2  ASN  30          HD21      ASN  30  11.730   6.381  -2.936
  228   2HD2  ASN  30          HD22      ASN  30  12.149   6.959  -4.476
  229    H    GLY  31           HN       GLY  31   9.639   1.057  -3.041
  230   1HA   GLY  31          HA2       GLY  31   9.697  -0.215  -1.071
  231   2HA   GLY  31          HA1       GLY  31  10.751   1.034  -0.411
  232    H    LYS  32           HN       LYS  32   7.605   1.942  -1.582
  233    HA   LYS  32           HA       LYS  32   6.578   2.049   1.232
  234   1HB   LYS  32          HB2       LYS  32   6.563   4.216  -0.897
  235   2HB   LYS  32          HB1       LYS  32   5.764   4.345   0.670
  236   1HG   LYS  32          HG2       LYS  32   7.770   4.471   1.841
  237   2HG   LYS  32          HG1       LYS  32   8.673   3.621   0.587
  238   1HD   LYS  32          HD2       LYS  32   8.458   5.586  -0.899
  239   2HD   LYS  32          HD1       LYS  32   7.577   6.441   0.370
  240   1HE   LYS  32          HE2       LYS  32  10.197   5.287   1.182
  241   2HE   LYS  32          HE1       LYS  32  10.260   6.668   0.067
  242   1HZ   LYS  32          HZ1       LYS  32   9.974   6.994   2.668
  243   2HZ   LYS  32          HZ2       LYS  32   8.336   6.798   2.261
  244   3HZ   LYS  32          HZ3       LYS  32   9.249   8.039   1.546
  245    H    CYS  33           HN       CYS  33   4.096   2.692   1.082
  246    HA   CYS  33           HA       CYS  33   2.897   1.128  -1.186
  247   1HB   CYS  33          HB2       CYS  33   2.907   0.408   1.376
  248   2HB   CYS  33          HB1       CYS  33   1.540   1.518   1.456
  249    H    LYS  34           HN       LYS  34   1.489   2.259  -2.455
  250    HA   LYS  34           HA       LYS  34   0.650   4.983  -1.574
  251   1HB   LYS  34          HB2       LYS  34   0.494   3.586  -4.266
  252   2HB   LYS  34          HB1       LYS  34   0.251   5.307  -3.967
  253   1HG   LYS  34          HG2       LYS  34   2.771   4.425  -2.841
  254   2HG   LYS  34          HG1       LYS  34   2.685   4.032  -4.559
  255   1HD   LYS  34          HD2       LYS  34   2.125   6.761  -3.358
  256   2HD   LYS  34          HD1       LYS  34   3.604   6.303  -4.203
  257   1HE   LYS  34          HE2       LYS  34   0.976   5.871  -5.592
  258   2HE   LYS  34          HE1       LYS  34   1.662   7.507  -5.539
  259   1HZ   LYS  34          HZ1       LYS  34   3.141   5.070  -6.379
  260   2HZ   LYS  34          HZ2       LYS  34   3.737   6.661  -6.383
  261   3HZ   LYS  34          HZ3       LYS  34   2.489   6.216  -7.446
  262    H    CYS  35           HN       CYS  35  -1.134   4.397  -0.196
  263    HA   CYS  35           HA       CYS  35  -3.303   2.716  -1.304
  264   1HB   CYS  35          HB2       CYS  35  -2.776   4.130   1.324
  265   2HB   CYS  35          HB1       CYS  35  -4.238   3.192   1.013
  266    H    TYR  36           HN       TYR  36  -5.333   3.540  -1.914
  267    HA   TYR  36           HA       TYR  36  -5.474   6.479  -2.311
  268   1HB   TYR  36          HB2       TYR  36  -6.687   4.011  -3.467
  269   2HB   TYR  36          HB1       TYR  36  -7.644   5.490  -3.550
  270    HD1  TYR  36           HD1      TYR  36  -5.631   7.582  -3.866
  271    HD2  TYR  36           HD2      TYR  36  -5.800   3.662  -5.617
  272    HE1  TYR  36           HE1      TYR  36  -4.251   8.371  -5.768
  273    HE2  TYR  36           HE2      TYR  36  -4.419   4.454  -7.520
  274    HH   TYR  36           HH       TYR  36  -2.559   6.705  -7.627
  275    HA   PRO  37           HA       PRO  37  -8.141   6.864   1.245
  276   1HB   PRO  37          HB2       PRO  37  -9.291   9.259   0.143
  277   2HB   PRO  37          HB1       PRO  37  -8.063   9.124   1.405
  278   1HG   PRO  37          HG2       PRO  37  -7.713  10.026  -1.294
  279   2HG   PRO  37          HG1       PRO  37  -6.486   9.877  -0.033
  280   1HD   PRO  37          HD2       PRO  37  -6.826   8.227  -2.379
  281   2HD   PRO  37          HD1       PRO  37  -5.584   8.083  -1.112
  Start of MODEL   16
    1   1H    VAL   1          HT1       VAL   1  -2.665   9.438  -0.670
    2   2H    VAL   1          HT2       VAL   1  -1.752   8.112  -1.212
    3   3H    VAL   1          HT3       VAL   1  -1.201   9.696  -1.487
    4    HA   VAL   1           HA       VAL   1  -0.387   9.944   0.603
    5    HB   VAL   1           HB       VAL   1  -2.794   9.755   1.349
    6   1HG1  VAL   1          HG11      VAL   1  -3.265   7.503   0.565
    7   2HG1  VAL   1          HG12      VAL   1  -3.444   7.537   2.319
    8   3HG1  VAL   1          HG13      VAL   1  -1.994   6.840   1.594
    9   1HG2  VAL   1          HG21      VAL   1  -2.058   9.887   3.496
   10   2HG2  VAL   1          HG22      VAL   1  -0.453   9.629   2.814
   11   3HG2  VAL   1          HG23      VAL   1  -1.373   8.264   3.446
   12    H    PHE   2           HN       PHE   2   1.073   8.631   1.953
   13    HA   PHE   2           HA       PHE   2   1.441   5.825   0.958
   14   1HB   PHE   2          HB2       PHE   2   3.530   7.974   1.435
   15   2HB   PHE   2          HB1       PHE   2   3.869   6.322   0.918
   16    HD1  PHE   2           HD1      PHE   2   4.004   5.858  -1.358
   17    HD2  PHE   2           HD2      PHE   2   1.777   9.282  -0.040
   18    HE1  PHE   2           HE1      PHE   2   3.617   6.511  -3.712
   19    HE2  PHE   2           HE2      PHE   2   1.384   9.937  -2.395
   20    HZ   PHE   2           HZ       PHE   2   2.308   8.553  -4.238
   21    H    ILE   3           HN       ILE   3   2.579   4.441   2.481
   22    HA   ILE   3           HA       ILE   3   2.606   5.476   5.293
   23    HB   ILE   3           HB       ILE   3   1.957   3.000   5.789
   24   1HG1  ILE   3          HG12      ILE   3   0.618   3.008   3.140
   25   2HG1  ILE   3          HG11      ILE   3   2.350   2.674   3.123
   26   1HG2  ILE   3          HG21      ILE   3   0.376   5.314   4.964
   27   2HG2  ILE   3          HG22      ILE   3   0.116   4.204   6.308
   28   3HG2  ILE   3          HG23      ILE   3  -0.479   3.796   4.699
   29   1HD1  ILE   3          HD11      ILE   3   1.044   1.239   5.281
   30   2HD1  ILE   3          HD12      ILE   3   2.031   0.608   3.963
   31   3HD1  ILE   3          HD13      ILE   3   0.301   0.854   3.730
   32    H    ASN   4           HN       ASN   4   4.454   4.984   6.431
   33    HA   ASN   4           HA       ASN   4   6.830   4.186   5.066
   34   1HB   ASN   4          HB2       ASN   4   7.697   4.106   7.455
   35   2HB   ASN   4          HB1       ASN   4   6.879   5.604   7.009
   36   1HD2  ASN   4          HD21      ASN   4   4.917   6.130   8.103
   37   2HD2  ASN   4          HD22      ASN   4   4.255   5.167   9.333
   38    H    ALA   5           HN       ALA   5   6.138   2.110   4.090
   39    HA   ALA   5           HA       ALA   5   6.679  -0.161   5.939
   40   1HB   ALA   5          HB1       ALA   5   4.530  -0.862   5.838
   41   2HB   ALA   5          HB2       ALA   5   4.588  -0.851   4.076
   42   3HB   ALA   5          HB3       ALA   5   4.123   0.607   4.951
   43    H    LYS   6           HN       LYS   6   8.720  -0.261   4.793
   44    HA   LYS   6           HA       LYS   6   9.416  -0.189   2.168
   45   1HB   LYS   6          HB2       LYS   6  10.076  -2.113   4.383
   46   2HB   LYS   6          HB1       LYS   6  10.819  -2.324   2.798
   47   1HG   LYS   6          HG2       LYS   6  10.843   0.371   4.142
   48   2HG   LYS   6          HG1       LYS   6  12.049  -0.847   4.561
   49   1HD   LYS   6          HD2       LYS   6  13.066  -0.755   2.498
   50   2HD   LYS   6          HD1       LYS   6  11.567  -0.350   1.660
   51   1HE   LYS   6          HE2       LYS   6  12.677   1.704   1.561
   52   2HE   LYS   6          HE1       LYS   6  11.794   1.899   3.087
   53   1HZ   LYS   6          HZ1       LYS   6  13.640   1.452   4.332
   54   2HZ   LYS   6          HZ2       LYS   6  14.380   2.210   3.003
   55   3HZ   LYS   6          HZ3       LYS   6  14.379   0.516   3.126
   56    H    CYS   7           HN       CYS   7   7.647  -0.707   0.759
   57    HA   CYS   7           HA       CYS   7   6.400  -3.350   0.797
   58   1HB   CYS   7          HB2       CYS   7   5.339  -2.451  -1.288
   59   2HB   CYS   7          HB1       CYS   7   5.206  -1.342   0.077
   60    H    ARG   8           HN       ARG   8   6.939  -5.112  -0.495
   61    HA   ARG   8           HA       ARG   8   9.441  -4.859  -2.115
   62   1HB   ARG   8          HB2       ARG   8   8.084  -6.976  -0.492
   63   2HB   ARG   8          HB1       ARG   8   9.087  -7.497  -1.846
   64   1HG   ARG   8          HG2       ARG   8  10.446  -5.427  -0.359
   65   2HG   ARG   8          HG1       ARG   8   9.960  -6.729   0.729
   66   1HD   ARG   8          HD2       ARG   8  11.656  -8.006  -0.055
   67   2HD   ARG   8          HD1       ARG   8  10.979  -7.901  -1.693
   68    HE   ARG   8           HE       ARG   8  12.983  -6.025  -0.540
   69   1HH1  ARG   8          HH21      ARG   8  12.650  -7.881  -3.162
   70   2HH1  ARG   8          HH22      ARG   8  12.730  -6.629  -4.355
   71   1HH2  ARG   8          HH11      ARG   8  12.374  -4.054  -2.061
   72   2HH2  ARG   8          HH12      ARG   8  12.574  -4.463  -3.733
   73    H    GLY   9           HN       GLY   9   6.036  -5.323  -2.383
   74   1HA   GLY   9          HA2       GLY   9   6.305  -5.672  -5.296
   75   2HA   GLY   9          HA1       GLY   9   5.500  -6.995  -4.451
   76    H    SER  10           HN       SER  10   4.353  -5.114  -6.409
   77    HA   SER  10           HA       SER  10   2.743  -3.103  -5.209
   78   1HB   SER  10          HB2       SER  10   3.175  -4.296  -7.723
   79   2HB   SER  10          HB1       SER  10   1.449  -4.468  -7.414
   80    HG   SER  10           HG       SER  10   2.338  -2.410  -8.389
   81    HA   PRO  11           HA       PRO  11  -0.733  -6.500  -4.976
   82   1HB   PRO  11          HB2       PRO  11   0.612  -9.033  -4.724
   83   2HB   PRO  11          HB1       PRO  11  -0.496  -8.508  -5.996
   84   1HG   PRO  11          HG2       PRO  11   2.334  -8.890  -6.192
   85   2HG   PRO  11          HG1       PRO  11   1.228  -8.328  -7.448
   86   1HD   PRO  11          HD2       PRO  11   3.206  -6.801  -6.005
   87   2HD   PRO  11          HD1       PRO  11   2.116  -6.236  -7.294
   88    H    GLU  12           HN       GLU  12   2.262  -6.307  -3.308
   89    HA   GLU  12           HA       GLU  12   1.393  -7.692  -0.873
   90   1HB   GLU  12          HB2       GLU  12   3.770  -6.453  -2.018
   91   2HB   GLU  12          HB1       GLU  12   3.567  -6.000  -0.326
   92   1HG   GLU  12          HG2       GLU  12   2.988  -8.669  -0.221
   93   2HG   GLU  12          HG1       GLU  12   4.198  -8.635  -1.506
   94    H    CYS  13           HN       CYS  13   1.548  -4.357  -2.071
   95    HA   CYS  13           HA       CYS  13   0.913  -3.051   0.416
   96   1HB   CYS  13          HB2       CYS  13   1.792  -2.242  -1.965
   97   2HB   CYS  13          HB1       CYS  13   0.072  -1.980  -2.257
   98    H    LEU  14           HN       LEU  14  -1.033  -4.664  -2.040
   99    HA   LEU  14           HA       LEU  14  -3.580  -3.553  -1.556
  100   1HB   LEU  14          HB2       LEU  14  -2.400  -5.900  -2.753
  101   2HB   LEU  14          HB1       LEU  14  -3.867  -6.355  -1.886
  102    HG   LEU  14           HG       LEU  14  -4.234  -5.658  -4.294
  103   1HD1  LEU  14          HD11      LEU  14  -6.164  -4.158  -3.724
  104   2HD1  LEU  14          HD12      LEU  14  -5.547  -4.068  -2.074
  105   3HD1  LEU  14          HD13      LEU  14  -6.086  -5.613  -2.730
  106   1HD2  LEU  14          HD21      LEU  14  -3.607  -3.602  -5.042
  107   2HD2  LEU  14          HD22      LEU  14  -2.531  -3.596  -3.645
  108   3HD2  LEU  14          HD23      LEU  14  -4.105  -2.810  -3.548
  109    HA   PRO  15           HA       PRO  15  -4.226  -6.848   1.972
  110   1HB   PRO  15          HB2       PRO  15  -1.603  -7.655   2.832
  111   2HB   PRO  15          HB1       PRO  15  -2.873  -8.667   2.140
  112   1HG   PRO  15          HG2       PRO  15  -0.417  -7.786   0.904
  113   2HG   PRO  15          HG1       PRO  15  -1.642  -8.878   0.252
  114   1HD   PRO  15          HD2       PRO  15  -1.095  -6.206  -0.594
  115   2HD   PRO  15          HD1       PRO  15  -2.430  -7.254  -1.129
  116    H    LYS  16           HN       LYS  16  -1.130  -5.065   1.998
  117    HA   LYS  16           HA       LYS  16  -1.230  -4.257   4.754
  118   1HB   LYS  16          HB2       LYS  16   0.251  -3.634   2.266
  119   2HB   LYS  16          HB1       LYS  16   0.254  -2.352   3.478
  120   1HG   LYS  16          HG2       LYS  16   2.165  -3.855   3.831
  121   2HG   LYS  16          HG1       LYS  16   1.033  -3.981   5.178
  122   1HD   LYS  16          HD2       LYS  16   0.238  -6.075   4.484
  123   2HD   LYS  16          HD1       LYS  16   0.792  -5.842   2.826
  124   1HE   LYS  16          HE2       LYS  16   3.163  -5.681   4.199
  125   2HE   LYS  16          HE1       LYS  16   2.273  -6.878   5.161
  126   1HZ   LYS  16          HZ1       LYS  16   3.387  -7.949   3.302
  127   2HZ   LYS  16          HZ2       LYS  16   2.602  -6.914   2.205
  128   3HZ   LYS  16          HZ3       LYS  16   1.703  -8.038   3.109
  129    H    CYS  17           HN       CYS  17  -2.101  -2.481   1.755
  130    HA   CYS  17           HA       CYS  17  -3.011  -0.091   2.970
  131   1HB   CYS  17          HB2       CYS  17  -3.777  -1.611   0.468
  132   2HB   CYS  17          HB1       CYS  17  -4.451  -0.025   0.834
  133    H    LYS  18           HN       LYS  18  -4.833  -3.065   2.174
  134    HA   LYS  18           HA       LYS  18  -7.402  -2.252   3.029
  135   1HB   LYS  18          HB2       LYS  18  -6.642  -4.383   1.854
  136   2HB   LYS  18          HB1       LYS  18  -6.137  -4.977   3.436
  137   1HG   LYS  18          HG2       LYS  18  -8.701  -4.061   3.923
  138   2HG   LYS  18          HG1       LYS  18  -8.834  -4.751   2.306
  139   1HD   LYS  18          HD2       LYS  18  -8.420  -6.885   3.033
  140   2HD   LYS  18          HD1       LYS  18  -7.310  -6.349   4.294
  141   1HE   LYS  18          HE2       LYS  18 -10.214  -5.646   4.580
  142   2HE   LYS  18          HE1       LYS  18  -9.697  -7.302   4.954
  143   1HZ   LYS  18          HZ1       LYS  18  -9.417  -6.006   6.919
  144   2HZ   LYS  18          HZ2       LYS  18  -8.596  -4.782   6.076
  145   3HZ   LYS  18          HZ3       LYS  18  -7.871  -6.304   6.290
  146    H    GLU  19           HN       GLU  19  -4.675  -3.556   4.913
  147    HA   GLU  19           HA       GLU  19  -6.153  -3.543   7.437
  148   1HB   GLU  19          HB2       GLU  19  -4.090  -4.942   6.554
  149   2HB   GLU  19          HB1       GLU  19  -3.159  -3.580   7.176
  150   1HG   GLU  19          HG2       GLU  19  -4.151  -3.859   9.389
  151   2HG   GLU  19          HG1       GLU  19  -5.189  -5.153   8.787
  152    H    ALA  20           HN       ALA  20  -4.534  -1.187   5.547
  153    HA   ALA  20           HA       ALA  20  -3.865   0.549   7.860
  154   1HB   ALA  20          HB1       ALA  20  -2.683   0.058   5.463
  155   2HB   ALA  20          HB2       ALA  20  -2.453   1.559   6.359
  156   3HB   ALA  20          HB3       ALA  20  -3.633   1.484   5.051
  157    H    ILE  21           HN       ILE  21  -6.446   0.031   5.632
  158    HA   ILE  21           HA       ILE  21  -7.838   2.434   6.691
  159    HB   ILE  21           HB       ILE  21  -8.512   2.769   4.144
  160   1HG1  ILE  21          HG12      ILE  21  -5.731   1.576   3.901
  161   2HG1  ILE  21          HG11      ILE  21  -7.206   0.718   3.449
  162   1HG2  ILE  21          HG21      ILE  21  -5.800   3.591   5.224
  163   2HG2  ILE  21          HG22      ILE  21  -7.324   4.399   5.590
  164   3HG2  ILE  21          HG23      ILE  21  -6.699   4.403   3.942
  165   1HD1  ILE  21          HD11      ILE  21  -6.263   3.358   2.288
  166   2HD1  ILE  21          HD12      ILE  21  -7.759   2.529   1.854
  167   3HD1  ILE  21          HD13      ILE  21  -6.202   1.791   1.476
  168    H    GLY  22           HN       GLY  22  -7.985  -0.526   4.725
  169   1HA   GLY  22          HA2       GLY  22  -9.776  -2.147   5.473
  170   2HA   GLY  22          HA1       GLY  22 -10.868  -0.763   5.498
  171    H    LYS  23           HN       LYS  23  -9.074  -0.010   2.952
  172    HA   LYS  23           HA       LYS  23 -10.901  -1.438   1.057
  173   1HB   LYS  23          HB2       LYS  23 -10.934   1.074   1.281
  174   2HB   LYS  23          HB1       LYS  23  -9.270   1.095   0.696
  175   1HG   LYS  23          HG2       LYS  23 -10.040   1.051  -1.416
  176   2HG   LYS  23          HG1       LYS  23 -10.746  -0.533  -1.099
  177   1HD   LYS  23          HD2       LYS  23 -12.186   1.933  -0.169
  178   2HD   LYS  23          HD1       LYS  23 -12.300   1.447  -1.862
  179   1HE   LYS  23          HE2       LYS  23 -14.052   0.175  -1.067
  180   2HE   LYS  23          HE1       LYS  23 -12.748  -0.950  -0.636
  181   1HZ   LYS  23          HZ1       LYS  23 -13.799   1.223   1.101
  182   2HZ   LYS  23          HZ2       LYS  23 -12.546   0.148   1.504
  183   3HZ   LYS  23          HZ3       LYS  23 -14.129  -0.429   1.293
  184    H    ALA  24           HN       ALA  24  -9.963  -2.952  -0.265
  185    HA   ALA  24           HA       ALA  24  -7.084  -3.400  -0.229
  186   1HB   ALA  24          HB1       ALA  24  -9.239  -4.576  -2.011
  187   2HB   ALA  24          HB2       ALA  24  -8.900  -5.139  -0.375
  188   3HB   ALA  24          HB3       ALA  24  -7.675  -5.294  -1.631
  189    H    ALA  25           HN       ALA  25  -6.635  -1.110  -1.093
  190    HA   ALA  25           HA       ALA  25  -6.306  -1.267  -4.041
  191   1HB   ALA  25          HB1       ALA  25  -8.509  -0.093  -3.165
  192   2HB   ALA  25          HB2       ALA  25  -7.584   0.643  -4.472
  193   3HB   ALA  25          HB3       ALA  25  -7.415   1.246  -2.824
  194    H    GLY  26           HN       GLY  26  -4.080  -1.034  -4.107
  195   1HA   GLY  26          HA2       GLY  26  -2.818   1.435  -3.510
  196   2HA   GLY  26          HA1       GLY  26  -2.531   0.350  -2.149
  197    H    LYS  27           HN       LYS  27  -0.329   1.147  -3.516
  198    HA   LYS  27           HA       LYS  27   0.527  -1.373  -4.858
  199   1HB   LYS  27          HB2       LYS  27   0.644   1.447  -5.960
  200   2HB   LYS  27          HB1       LYS  27   1.596   0.121  -6.627
  201   1HG   LYS  27          HG2       LYS  27  -0.200  -0.342  -7.915
  202   2HG   LYS  27          HG1       LYS  27  -0.965  -0.947  -6.446
  203   1HD   LYS  27          HD2       LYS  27  -2.537   0.641  -6.818
  204   2HD   LYS  27          HD1       LYS  27  -1.328   1.780  -6.226
  205   1HE   LYS  27          HE2       LYS  27  -0.516   1.574  -8.804
  206   2HE   LYS  27          HE1       LYS  27  -2.257   1.296  -9.008
  207   1HZ   LYS  27          HZ1       LYS  27  -1.223   3.726  -8.790
  208   2HZ   LYS  27          HZ2       LYS  27  -1.476   3.394  -7.143
  209   3HZ   LYS  27          HZ3       LYS  27  -2.777   3.342  -8.233
  210    H    CYS  28           HN       CYS  28   3.079  -0.682  -5.537
  211    HA   CYS  28           HA       CYS  28   4.289   0.285  -2.962
  212   1HB   CYS  28          HB2       CYS  28   4.588  -2.090  -3.214
  213   2HB   CYS  28          HB1       CYS  28   5.043  -1.912  -4.909
  214    H    MET  29           HN       MET  29   5.744   1.975  -3.191
  215    HA   MET  29           HA       MET  29   7.064   2.422  -5.818
  216   1HB   MET  29          HB2       MET  29   4.668   3.643  -5.105
  217   2HB   MET  29          HB1       MET  29   5.883   4.861  -4.714
  218   1HG   MET  29          HG2       MET  29   6.844   4.598  -6.993
  219   2HG   MET  29          HG1       MET  29   5.561   3.450  -7.378
  220   1HE   MET  29          HE1       MET  29   5.538   5.311  -9.423
  221   2HE   MET  29          HE2       MET  29   3.953   6.082  -9.439
  222   3HE   MET  29          HE3       MET  29   4.082   4.359  -9.094
  223    H    ASN  30           HN       ASN  30   9.054   3.442  -5.587
  224    HA   ASN  30           HA       ASN  30  10.986   4.201  -4.458
  225   1HB   ASN  30          HB2       ASN  30   8.771   5.896  -4.090
  226   2HB   ASN  30          HB1       ASN  30   9.535   5.784  -2.505
  227   1HD2  ASN  30          HD21      ASN  30   9.624   7.592  -5.298
  228   2HD2  ASN  30          HD22      ASN  30  11.233   8.129  -5.232
  229    H    GLY  31           HN       GLY  31   9.367   1.839  -3.279
  230   1HA   GLY  31          HA2       GLY  31   9.940   0.364  -1.509
  231   2HA   GLY  31          HA1       GLY  31  10.982   1.620  -0.842
  232    H    LYS  32           HN       LYS  32   7.853   2.734  -1.610
  233    HA   LYS  32           HA       LYS  32   7.067   2.536   1.281
  234   1HB   LYS  32          HB2       LYS  32   6.366   4.660  -0.775
  235   2HB   LYS  32          HB1       LYS  32   6.055   4.732   0.960
  236   1HG   LYS  32          HG2       LYS  32   8.647   4.391   1.167
  237   2HG   LYS  32          HG1       LYS  32   8.671   4.969  -0.499
  238   1HD   LYS  32          HD2       LYS  32   6.924   6.667   0.992
  239   2HD   LYS  32          HD1       LYS  32   8.430   6.509   1.895
  240   1HE   LYS  32          HE2       LYS  32   9.472   6.857  -0.566
  241   2HE   LYS  32          HE1       LYS  32   7.953   7.752  -0.772
  242   1HZ   LYS  32          HZ1       LYS  32   9.088   9.376   0.279
  243   2HZ   LYS  32          HZ2       LYS  32  10.199   8.304   0.990
  244   3HZ   LYS  32          HZ3       LYS  32   8.660   8.517   1.678
  245    H    CYS  33           HN       CYS  33   4.673   2.401   1.633
  246    HA   CYS  33           HA       CYS  33   3.415   0.790  -0.539
  247   1HB   CYS  33          HB2       CYS  33   3.631   0.520   2.184
  248   2HB   CYS  33          HB1       CYS  33   2.018   1.205   2.023
  249    H    LYS  34           HN       LYS  34   1.848   1.687  -1.816
  250    HA   LYS  34           HA       LYS  34   0.817   4.392  -1.135
  251   1HB   LYS  34          HB2       LYS  34   1.233   2.693  -3.542
  252   2HB   LYS  34          HB1       LYS  34  -0.135   3.805  -3.604
  253   1HG   LYS  34          HG2       LYS  34   1.299   5.698  -3.147
  254   2HG   LYS  34          HG1       LYS  34   2.679   4.638  -2.850
  255   1HD   LYS  34          HD2       LYS  34   2.930   5.475  -5.088
  256   2HD   LYS  34          HD1       LYS  34   2.405   3.798  -5.231
  257   1HE   LYS  34          HE2       LYS  34   0.137   4.458  -5.713
  258   2HE   LYS  34          HE1       LYS  34   0.487   6.150  -5.305
  259   1HZ   LYS  34          HZ1       LYS  34   2.123   4.762  -7.319
  260   2HZ   LYS  34          HZ2       LYS  34   1.813   6.424  -7.149
  261   3HZ   LYS  34          HZ3       LYS  34   0.615   5.393  -7.769
  262    H    CYS  35           HN       CYS  35  -1.119   4.439  -0.042
  263    HA   CYS  35           HA       CYS  35  -3.146   2.323  -0.709
  264   1HB   CYS  35          HB2       CYS  35  -2.595   3.744   1.917
  265   2HB   CYS  35          HB1       CYS  35  -3.846   2.531   1.658
  266    H    TYR  36           HN       TYR  36  -5.141   3.112  -1.327
  267    HA   TYR  36           HA       TYR  36  -5.532   6.079  -1.213
  268   1HB   TYR  36          HB2       TYR  36  -6.721   3.902  -2.964
  269   2HB   TYR  36          HB1       TYR  36  -7.071   5.624  -3.119
  270    HD1  TYR  36           HD1      TYR  36  -4.362   6.760  -2.556
  271    HD2  TYR  36           HD2      TYR  36  -5.562   3.424  -4.980
  272    HE1  TYR  36           HE1      TYR  36  -2.335   7.048  -3.956
  273    HE2  TYR  36           HE2      TYR  36  -3.535   3.712  -6.380
  274    HH   TYR  36           HH       TYR  36  -1.787   6.357  -6.559
  275    HA   PRO  37           HA       PRO  37  -8.862   5.644   1.640
  276   1HB   PRO  37          HB2       PRO  37 -10.481   7.604   0.291
  277   2HB   PRO  37          HB1       PRO  37  -9.483   7.824   1.731
  278   1HG   PRO  37          HG2       PRO  37  -8.995   8.822  -0.912
  279   2HG   PRO  37          HG1       PRO  37  -7.993   9.030   0.527
  280   1HD   PRO  37          HD2       PRO  37  -7.453   7.384  -1.784
  281   2HD   PRO  37          HD1       PRO  37  -6.443   7.595  -0.332
  Start of MODEL   17
    1   1H    VAL   1          HT1       VAL   1  -2.112  10.843   2.993
    2   2H    VAL   1          HT2       VAL   1  -1.979   9.868   1.608
    3   3H    VAL   1          HT3       VAL   1  -0.612  10.174   2.570
    4    HA   VAL   1           HA       VAL   1  -1.822   9.022   4.449
    5    HB   VAL   1           HB       VAL   1  -3.494   8.080   2.105
    6   1HG1  VAL   1          HG11      VAL   1  -3.277   7.448   4.975
    7   2HG1  VAL   1          HG12      VAL   1  -3.954   6.488   3.660
    8   3HG1  VAL   1          HG13      VAL   1  -4.928   7.743   4.426
    9   1HG2  VAL   1          HG21      VAL   1  -3.993  10.292   4.113
   10   2HG2  VAL   1          HG22      VAL   1  -5.293   9.521   3.204
   11   3HG2  VAL   1          HG23      VAL   1  -4.025  10.406   2.354
   12    H    PHE   2           HN       PHE   2   0.578   8.776   3.004
   13    HA   PHE   2           HA       PHE   2   0.600   5.952   2.021
   14   1HB   PHE   2          HB2       PHE   2   2.429   8.344   1.742
   15   2HB   PHE   2          HB1       PHE   2   2.932   6.730   1.252
   16    HD1  PHE   2           HD1      PHE   2   2.589   9.237  -0.516
   17    HD2  PHE   2           HD2      PHE   2  -0.009   5.927   0.362
   18    HE1  PHE   2           HE1      PHE   2   1.448   9.549  -2.693
   19    HE2  PHE   2           HE2      PHE   2  -1.147   6.245  -1.811
   20    HZ   PHE   2           HZ       PHE   2  -0.419   8.055  -3.341
   21    H    ILE   3           HN       ILE   3   2.663   4.734   2.642
   22    HA   ILE   3           HA       ILE   3   3.563   5.447   5.411
   23    HB   ILE   3           HB       ILE   3   3.330   3.038   5.963
   24   1HG1  ILE   3          HG12      ILE   3   2.063   2.851   3.211
   25   2HG1  ILE   3          HG11      ILE   3   3.645   2.199   3.641
   26   1HG2  ILE   3          HG21      ILE   3   1.084   3.217   6.436
   27   2HG2  ILE   3          HG22      ILE   3   0.674   3.741   4.803
   28   3HG2  ILE   3          HG23      ILE   3   1.381   4.884   5.944
   29   1HD1  ILE   3          HD11      ILE   3   0.990   1.099   4.158
   30   2HD1  ILE   3          HD12      ILE   3   1.966   1.204   5.624
   31   3HD1  ILE   3          HD13      ILE   3   2.563   0.306   4.229
   32    H    ASN   4           HN       ASN   4   5.767   5.267   5.654
   33    HA   ASN   4           HA       ASN   4   7.404   4.589   3.329
   34   1HB   ASN   4          HB2       ASN   4   9.204   5.366   4.756
   35   2HB   ASN   4          HB1       ASN   4   7.818   6.425   5.013
   36   1HD2  ASN   4          HD21      ASN   4  10.074   5.685   6.910
   37   2HD2  ASN   4          HD22      ASN   4   9.297   5.077   8.292
   38    H    ALA   5           HN       ALA   5   5.969   2.288   4.019
   39    HA   ALA   5           HA       ALA   5   7.783   0.583   5.639
   40   1HB   ALA   5          HB1       ALA   5   5.387   0.467   6.046
   41   2HB   ALA   5          HB2       ALA   5   5.889  -1.045   5.289
   42   3HB   ALA   5          HB3       ALA   5   5.071   0.192   4.333
   43    H    LYS   6           HN       LYS   6   9.578   0.421   4.143
   44    HA   LYS   6           HA       LYS   6   9.602  -0.073   1.416
   45   1HB   LYS   6          HB2       LYS   6  11.693  -1.410   1.973
   46   2HB   LYS   6          HB1       LYS   6  11.614   0.185   2.721
   47   1HG   LYS   6          HG2       LYS   6  11.626  -0.705   4.792
   48   2HG   LYS   6          HG1       LYS   6  10.309  -1.806   4.384
   49   1HD   LYS   6          HD2       LYS   6  11.720  -3.540   3.991
   50   2HD   LYS   6          HD1       LYS   6  12.884  -2.518   3.147
   51   1HE   LYS   6          HE2       LYS   6  13.966  -1.882   5.141
   52   2HE   LYS   6          HE1       LYS   6  12.573  -2.327   6.146
   53   1HZ   LYS   6          HZ1       LYS   6  14.656  -3.942   5.757
   54   2HZ   LYS   6          HZ2       LYS   6  13.663  -4.436   4.471
   55   3HZ   LYS   6          HZ3       LYS   6  13.087  -4.507   6.068
   56    H    CYS   7           HN       CYS   7   7.735  -1.362   0.797
   57    HA   CYS   7           HA       CYS   7   7.280  -4.010   1.903
   58   1HB   CYS   7          HB2       CYS   7   5.502  -4.063   0.332
   59   2HB   CYS   7          HB1       CYS   7   5.673  -2.354   0.727
   60    H    ARG   8           HN       ARG   8   6.962  -5.681  -0.245
   61    HA   ARG   8           HA       ARG   8   9.712  -5.876  -1.433
   62   1HB   ARG   8          HB2       ARG   8   8.032  -7.714   0.157
   63   2HB   ARG   8          HB1       ARG   8   8.771  -8.451  -1.265
   64   1HG   ARG   8          HG2       ARG   8  10.450  -8.745   0.325
   65   2HG   ARG   8          HG1       ARG   8  10.940  -7.225  -0.424
   66   1HD   ARG   8          HD2       ARG   8  10.207  -5.938   1.402
   67   2HD   ARG   8          HD1       ARG   8   9.108  -7.209   1.975
   68    HE   ARG   8           HE       ARG   8  10.945  -8.056   3.183
   69   1HH1  ARG   8          HH11      ARG   8  12.127  -5.671   1.127
   70   2HH1  ARG   8          HH12      ARG   8  13.733  -6.311   1.025
   71   1HH2  ARG   8          HH21      ARG   8  12.960  -9.241   2.709
   72   2HH2  ARG   8          HH22      ARG   8  14.204  -8.331   1.918
   73    H    GLY   9           HN       GLY   9   6.291  -5.908  -1.955
   74   1HA   GLY   9          HA2       GLY   9   6.746  -6.249  -4.854
   75   2HA   GLY   9          HA1       GLY   9   5.654  -7.403  -4.091
   76    H    SER  10           HN       SER  10   5.051  -5.328  -6.110
   77    HA   SER  10           HA       SER  10   3.731  -3.063  -5.034
   78   1HB   SER  10          HB2       SER  10   3.613  -2.794  -7.269
   79   2HB   SER  10          HB1       SER  10   4.029  -4.488  -7.513
   80    HG   SER  10           HG       SER  10   2.041  -4.429  -8.309
   81    HA   PRO  11           HA       PRO  11  -0.324  -5.749  -5.108
   82   1HB   PRO  11          HB2       PRO  11   0.488  -8.488  -4.764
   83   2HB   PRO  11          HB1       PRO  11  -0.388  -7.771  -6.119
   84   1HG   PRO  11          HG2       PRO  11   2.325  -8.687  -6.079
   85   2HG   PRO  11          HG1       PRO  11   1.456  -7.935  -7.419
   86   1HD   PRO  11          HD2       PRO  11   3.560  -6.799  -5.801
   87   2HD   PRO  11          HD1       PRO  11   2.712  -6.049  -7.174
   88    H    GLU  12           HN       GLU  12   2.534  -6.557  -3.217
   89    HA   GLU  12           HA       GLU  12   1.313  -7.670  -0.902
   90   1HB   GLU  12          HB2       GLU  12   3.733  -7.605  -1.360
   91   2HB   GLU  12          HB1       GLU  12   3.723  -5.848  -1.206
   92   1HG   GLU  12          HG2       GLU  12   4.477  -6.699   0.905
   93   2HG   GLU  12          HG1       GLU  12   2.810  -6.177   1.148
   94    H    CYS  13           HN       CYS  13   1.455  -4.366  -2.075
   95    HA   CYS  13           HA       CYS  13   0.779  -3.071   0.416
   96   1HB   CYS  13          HB2       CYS  13   1.791  -2.202  -1.843
   97   2HB   CYS  13          HB1       CYS  13   0.105  -2.028  -2.328
   98    H    LEU  14           HN       LEU  14  -1.100  -4.750  -2.012
   99    HA   LEU  14           HA       LEU  14  -3.650  -3.560  -1.615
  100   1HB   LEU  14          HB2       LEU  14  -2.478  -5.930  -2.790
  101   2HB   LEU  14          HB1       LEU  14  -3.990  -6.343  -1.981
  102    HG   LEU  14           HG       LEU  14  -4.784  -4.090  -3.208
  103   1HD1  LEU  14          HD11      LEU  14  -2.356  -5.068  -4.656
  104   2HD1  LEU  14          HD12      LEU  14  -2.942  -3.420  -4.439
  105   3HD1  LEU  14          HD13      LEU  14  -3.715  -4.482  -5.616
  106   1HD2  LEU  14          HD21      LEU  14  -4.895  -6.948  -3.760
  107   2HD2  LEU  14          HD22      LEU  14  -5.020  -6.002  -5.243
  108   3HD2  LEU  14          HD23      LEU  14  -6.162  -5.732  -3.926
  109    HA   PRO  15           HA       PRO  15  -4.375  -6.854   1.887
  110   1HB   PRO  15          HB2       PRO  15  -1.780  -7.726   2.770
  111   2HB   PRO  15          HB1       PRO  15  -3.064  -8.704   2.051
  112   1HG   PRO  15          HG2       PRO  15  -0.572  -7.903   0.860
  113   2HG   PRO  15          HG1       PRO  15  -1.845  -8.904   0.155
  114   1HD   PRO  15          HD2       PRO  15  -1.145  -6.207  -0.550
  115   2HD   PRO  15          HD1       PRO  15  -2.462  -7.202  -1.213
  116    H    LYS  16           HN       LYS  16  -1.199  -5.207   2.031
  117    HA   LYS  16           HA       LYS  16  -1.272  -4.416   4.762
  118   1HB   LYS  16          HB2       LYS  16  -0.017  -3.337   2.235
  119   2HB   LYS  16          HB1       LYS  16   0.265  -2.563   3.795
  120   1HG   LYS  16          HG2       LYS  16   0.778  -5.494   3.208
  121   2HG   LYS  16          HG1       LYS  16   2.021  -4.243   3.237
  122   1HD   LYS  16          HD2       LYS  16   2.220  -4.640   5.448
  123   2HD   LYS  16          HD1       LYS  16   0.636  -3.888   5.636
  124   1HE   LYS  16          HE2       LYS  16  -0.054  -5.899   6.449
  125   2HE   LYS  16          HE1       LYS  16   0.047  -6.484   4.776
  126   1HZ   LYS  16          HZ1       LYS  16   1.458  -7.852   6.109
  127   2HZ   LYS  16          HZ2       LYS  16   2.210  -6.501   6.812
  128   3HZ   LYS  16          HZ3       LYS  16   2.456  -6.854   5.168
  129    H    CYS  17           HN       CYS  17  -2.311  -2.625   1.839
  130    HA   CYS  17           HA       CYS  17  -3.282  -0.299   3.186
  131   1HB   CYS  17          HB2       CYS  17  -3.850  -1.690   0.567
  132   2HB   CYS  17          HB1       CYS  17  -4.687  -0.199   1.000
  133    H    LYS  18           HN       LYS  18  -4.908  -3.329   2.230
  134    HA   LYS  18           HA       LYS  18  -7.560  -2.694   2.979
  135   1HB   LYS  18          HB2       LYS  18  -6.509  -4.749   1.806
  136   2HB   LYS  18          HB1       LYS  18  -6.220  -5.367   3.432
  137   1HG   LYS  18          HG2       LYS  18  -8.638  -5.136   3.935
  138   2HG   LYS  18          HG1       LYS  18  -8.914  -4.575   2.284
  139   1HD   LYS  18          HD2       LYS  18  -9.118  -6.722   1.645
  140   2HD   LYS  18          HD1       LYS  18  -7.417  -6.958   2.052
  141   1HE   LYS  18          HE2       LYS  18  -8.835  -8.582   3.272
  142   2HE   LYS  18          HE1       LYS  18  -8.084  -7.450   4.413
  143   1HZ   LYS  18          HZ1       LYS  18 -10.720  -7.878   4.285
  144   2HZ   LYS  18          HZ2       LYS  18 -10.574  -6.560   3.223
  145   3HZ   LYS  18          HZ3       LYS  18 -10.030  -6.426   4.828
  146    H    GLU  19           HN       GLU  19  -4.771  -3.571   4.946
  147    HA   GLU  19           HA       GLU  19  -6.402  -3.847   7.399
  148   1HB   GLU  19          HB2       GLU  19  -3.576  -4.269   6.511
  149   2HB   GLU  19          HB1       GLU  19  -3.870  -4.024   8.234
  150   1HG   GLU  19          HG2       GLU  19  -5.864  -5.815   7.428
  151   2HG   GLU  19          HG1       GLU  19  -4.408  -6.366   6.599
  152    H    ALA  20           HN       ALA  20  -4.567  -1.415   5.725
  153    HA   ALA  20           HA       ALA  20  -4.145   0.263   8.109
  154   1HB   ALA  20          HB1       ALA  20  -2.787  -0.052   5.841
  155   2HB   ALA  20          HB2       ALA  20  -2.822   1.510   6.658
  156   3HB   ALA  20          HB3       ALA  20  -3.880   1.213   5.279
  157    H    ILE  21           HN       ILE  21  -5.917   0.705   5.018
  158    HA   ILE  21           HA       ILE  21  -7.672   2.698   6.377
  159    HB   ILE  21           HB       ILE  21  -8.115   3.464   4.144
  160   1HG1  ILE  21          HG12      ILE  21  -6.834   0.860   3.249
  161   2HG1  ILE  21          HG11      ILE  21  -8.535   1.296   3.093
  162   1HG2  ILE  21          HG21      ILE  21  -5.598   3.434   5.199
  163   2HG2  ILE  21          HG22      ILE  21  -6.026   4.269   3.705
  164   3HG2  ILE  21          HG23      ILE  21  -5.312   2.658   3.641
  165   1HD1  ILE  21          HD11      ILE  21  -8.088   2.946   1.465
  166   2HD1  ILE  21          HD12      ILE  21  -7.010   1.622   1.020
  167   3HD1  ILE  21          HD13      ILE  21  -6.377   3.022   1.886
  168    H    GLY  22           HN       GLY  22  -7.818  -0.283   4.422
  169   1HA   GLY  22          HA2       GLY  22  -9.456  -2.024   4.921
  170   2HA   GLY  22          HA1       GLY  22 -10.533  -0.775   5.549
  171    H    LYS  23           HN       LYS  23  -8.754  -0.474   2.518
  172    HA   LYS  23           HA       LYS  23 -11.345  -0.776   1.042
  173   1HB   LYS  23          HB2       LYS  23  -9.247   1.388   1.022
  174   2HB   LYS  23          HB1       LYS  23 -10.295   1.146  -0.376
  175   1HG   LYS  23          HG2       LYS  23 -11.221   1.662   2.465
  176   2HG   LYS  23          HG1       LYS  23 -11.270   2.821   1.135
  177   1HD   LYS  23          HD2       LYS  23 -12.558   0.661   0.034
  178   2HD   LYS  23          HD1       LYS  23 -13.065   0.557   1.720
  179   1HE   LYS  23          HE2       LYS  23 -13.690   3.008   1.602
  180   2HE   LYS  23          HE1       LYS  23 -13.391   2.928  -0.146
  181   1HZ   LYS  23          HZ1       LYS  23 -15.347   1.365   1.441
  182   2HZ   LYS  23          HZ2       LYS  23 -14.875   0.904  -0.125
  183   3HZ   LYS  23          HZ3       LYS  23 -15.655   2.393   0.128
  184    H    ALA  24           HN       ALA  24  -8.225  -1.883   1.407
  185    HA   ALA  24           HA       ALA  24  -6.694  -3.004  -0.031
  186   1HB   ALA  24          HB1       ALA  24  -8.017  -4.720  -1.367
  187   2HB   ALA  24          HB2       ALA  24  -9.478  -3.892  -0.830
  188   3HB   ALA  24          HB3       ALA  24  -8.409  -4.650   0.351
  189    H    ALA  25           HN       ALA  25  -6.615  -0.555  -1.040
  190    HA   ALA  25           HA       ALA  25  -6.706  -0.979  -3.978
  191   1HB   ALA  25          HB1       ALA  25  -7.816   1.596  -2.987
  192   2HB   ALA  25          HB2       ALA  25  -8.821   0.170  -2.730
  193   3HB   ALA  25          HB3       ALA  25  -8.320   0.613  -4.362
  194    H    GLY  26           HN       GLY  26  -4.324  -0.922  -3.554
  195   1HA   GLY  26          HA2       GLY  26  -3.281   1.786  -3.848
  196   2HA   GLY  26          HA1       GLY  26  -2.832   1.040  -2.315
  197    H    LYS  27           HN       LYS  27  -0.651   1.475  -3.561
  198    HA   LYS  27           HA       LYS  27   0.194  -1.141  -4.691
  199   1HB   LYS  27          HB2       LYS  27   0.837   1.461  -6.092
  200   2HB   LYS  27          HB1       LYS  27   0.979  -0.180  -6.722
  201   1HG   LYS  27          HG2       LYS  27  -1.483  -0.417  -6.643
  202   2HG   LYS  27          HG1       LYS  27  -1.614   1.238  -6.046
  203   1HD   LYS  27          HD2       LYS  27  -0.149   1.766  -8.200
  204   2HD   LYS  27          HD1       LYS  27  -0.871   0.261  -8.773
  205   1HE   LYS  27          HE2       LYS  27  -2.734   1.435  -9.305
  206   2HE   LYS  27          HE1       LYS  27  -2.974   1.751  -7.575
  207   1HZ   LYS  27          HZ1       LYS  27  -1.345   3.577  -7.773
  208   2HZ   LYS  27          HZ2       LYS  27  -2.738   3.838  -8.709
  209   3HZ   LYS  27          HZ3       LYS  27  -1.296   3.332  -9.450
  210    H    CYS  28           HN       CYS  28   2.752  -0.771  -5.241
  211    HA   CYS  28           HA       CYS  28   3.886   0.709  -2.894
  212   1HB   CYS  28          HB2       CYS  28   3.810  -1.958  -3.172
  213   2HB   CYS  28          HB1       CYS  28   5.282  -1.639  -4.092
  214    H    MET  29           HN       MET  29   5.330   2.274  -3.450
  215    HA   MET  29           HA       MET  29   6.932   1.970  -5.947
  216   1HB   MET  29          HB2       MET  29   4.612   3.556  -5.673
  217   2HB   MET  29          HB1       MET  29   5.968   4.682  -5.609
  218   1HG   MET  29          HG2       MET  29   6.553   2.799  -7.654
  219   2HG   MET  29          HG1       MET  29   4.886   3.323  -7.896
  220   1HE   MET  29          HE1       MET  29   4.031   5.150  -8.223
  221   2HE   MET  29          HE2       MET  29   4.746   5.938  -9.629
  222   3HE   MET  29          HE3       MET  29   4.679   6.791  -8.088
  223    H    ASN  30           HN       ASN  30   8.869   3.309  -5.904
  224    HA   ASN  30           HA       ASN  30  10.734   4.253  -4.795
  225   1HB   ASN  30          HB2       ASN  30   8.309   5.684  -4.183
  226   2HB   ASN  30          HB1       ASN  30   9.375   5.730  -2.779
  227   1HD2  ASN  30          HD21      ASN  30  11.446   6.820  -3.004
  228   2HD2  ASN  30          HD22      ASN  30  11.799   7.797  -4.347
  229    H    GLY  31           HN       GLY  31   9.193   1.779  -3.617
  230   1HA   GLY  31          HA2       GLY  31   9.786   0.289  -1.882
  231   2HA   GLY  31          HA1       GLY  31  10.931   1.494  -1.290
  232    H    LYS  32           HN       LYS  32   7.417   1.818  -1.821
  233    HA   LYS  32           HA       LYS  32   6.955   1.912   1.104
  234   1HB   LYS  32          HB2       LYS  32   6.404   4.258  -0.747
  235   2HB   LYS  32          HB1       LYS  32   6.109   4.212   0.991
  236   1HG   LYS  32          HG2       LYS  32   8.569   3.813   1.328
  237   2HG   LYS  32          HG1       LYS  32   8.796   4.074  -0.402
  238   1HD   LYS  32          HD2       LYS  32   8.805   6.298  -0.077
  239   2HD   LYS  32          HD1       LYS  32   7.186   6.208   0.616
  240   1HE   LYS  32          HE2       LYS  32   7.979   6.453   2.732
  241   2HE   LYS  32          HE1       LYS  32   9.272   5.266   2.463
  242   1HZ   LYS  32          HZ1       LYS  32  10.414   7.271   2.630
  243   2HZ   LYS  32          HZ2       LYS  32   9.231   8.139   1.774
  244   3HZ   LYS  32          HZ3       LYS  32  10.258   7.063   0.953
  245    H    CYS  33           HN       CYS  33   4.611   2.001   1.591
  246    HA   CYS  33           HA       CYS  33   3.010   0.630  -0.493
  247   1HB   CYS  33          HB2       CYS  33   3.346   0.398   2.229
  248   2HB   CYS  33          HB1       CYS  33   1.842   1.310   2.133
  249    H    LYS  34           HN       LYS  34   1.357   1.668  -1.614
  250    HA   LYS  34           HA       LYS  34   0.621   4.439  -0.720
  251   1HB   LYS  34          HB2       LYS  34   0.958   3.198  -3.465
  252   2HB   LYS  34          HB1       LYS  34   0.253   4.794  -3.204
  253   1HG   LYS  34          HG2       LYS  34   2.264   5.745  -2.736
  254   2HG   LYS  34          HG1       LYS  34   2.817   4.347  -1.814
  255   1HD   LYS  34          HD2       LYS  34   4.219   4.320  -3.700
  256   2HD   LYS  34          HD1       LYS  34   2.958   3.164  -4.127
  257   1HE   LYS  34          HE2       LYS  34   2.082   5.797  -4.892
  258   2HE   LYS  34          HE1       LYS  34   3.697   5.499  -5.568
  259   1HZ   LYS  34          HZ1       LYS  34   1.281   3.798  -5.815
  260   2HZ   LYS  34          HZ2       LYS  34   2.841   3.230  -6.174
  261   3HZ   LYS  34          HZ3       LYS  34   2.176   4.516  -7.064
  262    H    CYS  35           HN       CYS  35  -1.326   3.949   0.357
  263    HA   CYS  35           HA       CYS  35  -3.314   2.162  -0.897
  264   1HB   CYS  35          HB2       CYS  35  -3.428   3.893   1.595
  265   2HB   CYS  35          HB1       CYS  35  -4.509   2.557   1.203
  266    H    TYR  36           HN       TYR  36  -5.484   2.939  -1.445
  267    HA   TYR  36           HA       TYR  36  -5.733   5.894  -1.812
  268   1HB   TYR  36          HB2       TYR  36  -6.056   3.703  -3.885
  269   2HB   TYR  36          HB1       TYR  36  -6.555   5.376  -4.144
  270    HD1  TYR  36           HD1      TYR  36  -4.069   3.246  -5.016
  271    HD2  TYR  36           HD2      TYR  36  -4.535   7.029  -3.041
  272    HE1  TYR  36           HE1      TYR  36  -1.741   3.849  -5.623
  273    HE2  TYR  36           HE2      TYR  36  -2.210   7.634  -3.647
  274    HH   TYR  36           HH       TYR  36  -0.415   5.954  -5.951
  275    HA   PRO  37           HA       PRO  37  -9.780   5.073  -0.181
  276   1HB   PRO  37          HB2       PRO  37 -10.871   7.359  -1.539
  277   2HB   PRO  37          HB1       PRO  37 -10.393   7.228   0.156
  278   1HG   PRO  37          HG2       PRO  37  -9.078   8.696  -1.923
  279   2HG   PRO  37          HG1       PRO  37  -8.590   8.535  -0.235
  280   1HD   PRO  37          HD2       PRO  37  -7.357   7.344  -2.565
  281   2HD   PRO  37          HD1       PRO  37  -6.843   7.215  -0.865
  Start of MODEL   18
    1   1H    VAL   1          HT1       VAL   1  -2.250  10.427   1.031
    2   2H    VAL   1          HT2       VAL   1  -2.504   9.154  -0.065
    3   3H    VAL   1          HT3       VAL   1  -0.943   9.469   0.529
    4    HA   VAL   1           HA       VAL   1  -2.081   9.045   2.841
    5    HB   VAL   1           HB       VAL   1  -3.753   7.514   0.819
    6   1HG1  VAL   1          HG11      VAL   1  -5.106   7.363   3.142
    7   2HG1  VAL   1          HG12      VAL   1  -3.467   7.479   3.785
    8   3HG1  VAL   1          HG13      VAL   1  -3.890   6.172   2.680
    9   1HG2  VAL   1          HG21      VAL   1  -5.543   9.056   2.048
   10   2HG2  VAL   1          HG22      VAL   1  -4.648   9.647   0.649
   11   3HG2  VAL   1          HG23      VAL   1  -4.142  10.102   2.275
   12    H    PHE   2           HN       PHE   2   0.350   8.489   1.967
   13    HA   PHE   2           HA       PHE   2   0.516   5.560   1.391
   14   1HB   PHE   2          HB2       PHE   2   2.521   7.834   1.216
   15   2HB   PHE   2          HB1       PHE   2   2.856   6.166   0.758
   16    HD1  PHE   2           HD1      PHE   2  -0.396   6.263  -0.102
   17    HD2  PHE   2           HD2      PHE   2   3.280   8.155  -1.273
   18    HE1  PHE   2           HE1      PHE   2  -1.336   6.696  -2.356
   19    HE2  PHE   2           HE2      PHE   2   2.338   8.587  -3.526
   20    HZ   PHE   2           HZ       PHE   2   0.031   7.857  -4.068
   21    H    ILE   3           HN       ILE   3   2.580   4.568   2.499
   22    HA   ILE   3           HA       ILE   3   2.960   5.647   5.256
   23    HB   ILE   3           HB       ILE   3   2.653   3.175   5.981
   24   1HG1  ILE   3          HG12      ILE   3   0.926   2.998   3.528
   25   2HG1  ILE   3          HG11      ILE   3   2.630   2.554   3.422
   26   1HG2  ILE   3          HG21      ILE   3   0.494   5.070   5.095
   27   2HG2  ILE   3          HG22      ILE   3   0.994   4.642   6.731
   28   3HG2  ILE   3          HG23      ILE   3   0.059   3.499   5.768
   29   1HD1  ILE   3          HD11      ILE   3   1.719   1.329   5.773
   30   2HD1  ILE   3          HD12      ILE   3   2.058   0.531   4.238
   31   3HD1  ILE   3          HD13      ILE   3   0.423   1.080   4.605
   32    H    ASN   4           HN       ASN   4   4.958   4.984   6.209
   33    HA   ASN   4           HA       ASN   4   7.165   4.576   4.442
   34   1HB   ASN   4          HB2       ASN   4   8.421   4.485   6.491
   35   2HB   ASN   4          HB1       ASN   4   7.070   5.583   6.782
   36   1HD2  ASN   4          HD21      ASN   4   8.704   3.331   8.419
   37   2HD2  ASN   4          HD22      ASN   4   7.455   2.581   9.289
   38    H    ALA   5           HN       ALA   5   4.856   2.335   5.577
   39    HA   ALA   5           HA       ALA   5   6.100  -0.050   6.144
   40   1HB   ALA   5          HB1       ALA   5   3.931   0.324   4.056
   41   2HB   ALA   5          HB2       ALA   5   3.651   0.433   5.794
   42   3HB   ALA   5          HB3       ALA   5   4.178  -1.090   5.079
   43    H    LYS   6           HN       LYS   6   8.159  -0.369   5.188
   44    HA   LYS   6           HA       LYS   6   8.987   0.053   2.557
   45   1HB   LYS   6          HB2       LYS   6   9.613  -2.147   4.548
   46   2HB   LYS   6          HB1       LYS   6  10.541  -1.898   3.069
   47   1HG   LYS   6          HG2       LYS   6  10.074   0.477   4.816
   48   2HG   LYS   6          HG1       LYS   6  11.238  -0.728   5.371
   49   1HD   LYS   6          HD2       LYS   6  12.267  -0.579   3.022
   50   2HD   LYS   6          HD1       LYS   6  11.295   0.877   2.812
   51   1HE   LYS   6          HE2       LYS   6  12.602   1.025   5.368
   52   2HE   LYS   6          HE1       LYS   6  13.813   0.667   4.120
   53   1HZ   LYS   6          HZ1       LYS   6  13.099   2.480   2.823
   54   2HZ   LYS   6          HZ2       LYS   6  13.221   3.090   4.404
   55   3HZ   LYS   6          HZ3       LYS   6  11.698   2.709   3.751
   56    H    CYS   7           HN       CYS   7   7.401  -0.457   0.972
   57    HA   CYS   7           HA       CYS   7   6.076  -3.051   0.881
   58   1HB   CYS   7          HB2       CYS   7   5.094  -2.143  -1.122
   59   2HB   CYS   7          HB1       CYS   7   5.256  -0.800   0.009
   60    H    ARG   8           HN       ARG   8   6.534  -4.761  -0.604
   61    HA   ARG   8           HA       ARG   8   9.238  -4.617  -1.902
   62   1HB   ARG   8          HB2       ARG   8   7.794  -6.765  -0.344
   63   2HB   ARG   8          HB1       ARG   8   9.138  -7.163  -1.415
   64   1HG   ARG   8          HG2       ARG   8  10.515  -5.439  -0.182
   65   2HG   ARG   8          HG1       ARG   8   9.193  -5.304   0.978
   66   1HD   ARG   8          HD2       ARG   8   9.897  -8.097   0.499
   67   2HD   ARG   8          HD1       ARG   8  11.280  -7.160   1.099
   68    HE   ARG   8           HE       ARG   8   9.792  -6.379   2.963
   69   1HH1  ARG   8          HH21      ARG   8   8.089  -8.453   0.911
   70   2HH1  ARG   8          HH22      ARG   8   7.399  -9.411   2.178
   71   1HH2  ARG   8          HH11      ARG   8   9.251  -7.898   4.691
   72   2HH2  ARG   8          HH12      ARG   8   8.056  -9.096   4.320
   73    H    GLY   9           HN       GLY   9   5.885  -5.063  -2.368
   74   1HA   GLY   9          HA2       GLY   9   6.268  -5.604  -5.205
   75   2HA   GLY   9          HA1       GLY   9   5.577  -6.977  -4.340
   76    H    SER  10           HN       SER  10   4.414  -5.045  -6.377
   77    HA   SER  10           HA       SER  10   2.550  -3.246  -5.334
   78   1HB   SER  10          HB2       SER  10   3.120  -4.543  -7.754
   79   2HB   SER  10          HB1       SER  10   1.427  -4.909  -7.439
   80    HG   SER  10           HG       SER  10   2.494  -2.644  -8.312
   81    HA   PRO  11           HA       PRO  11  -0.593  -6.916  -4.825
   82   1HB   PRO  11          HB2       PRO  11   0.965  -9.305  -4.430
   83   2HB   PRO  11          HB1       PRO  11  -0.185  -8.955  -5.724
   84   1HG   PRO  11          HG2       PRO  11   2.661  -9.121  -5.924
   85   2HG   PRO  11          HG1       PRO  11   1.514  -8.707  -7.200
   86   1HD   PRO  11          HD2       PRO  11   3.367  -6.962  -5.820
   87   2HD   PRO  11          HD1       PRO  11   2.270  -6.558  -7.162
   88    H    GLU  12           HN       GLU  12   2.349  -6.293  -3.204
   89    HA   GLU  12           HA       GLU  12   1.587  -7.608  -0.673
   90   1HB   GLU  12          HB2       GLU  12   3.934  -6.761  -1.961
   91   2HB   GLU  12          HB1       GLU  12   3.768  -5.683  -0.576
   92   1HG   GLU  12          HG2       GLU  12   4.419  -7.321   0.817
   93   2HG   GLU  12          HG1       GLU  12   3.116  -8.359   0.241
   94    H    CYS  13           HN       CYS  13   1.702  -4.331  -2.052
   95    HA   CYS  13           HA       CYS  13   1.055  -2.977   0.431
   96   1HB   CYS  13          HB2       CYS  13   2.178  -2.111  -1.727
   97   2HB   CYS  13          HB1       CYS  13   0.544  -1.992  -2.381
   98    H    LEU  14           HN       LEU  14  -0.873  -4.113  -2.360
   99    HA   LEU  14           HA       LEU  14  -3.350  -2.978  -1.863
  100   1HB   LEU  14          HB2       LEU  14  -2.255  -5.326  -3.138
  101   2HB   LEU  14          HB1       LEU  14  -3.798  -5.726  -2.386
  102    HG   LEU  14           HG       LEU  14  -4.108  -3.183  -3.620
  103   1HD1  LEU  14          HD11      LEU  14  -2.998  -5.269  -5.520
  104   2HD1  LEU  14          HD12      LEU  14  -2.086  -3.872  -4.950
  105   3HD1  LEU  14          HD13      LEU  14  -3.533  -3.638  -5.931
  106   1HD2  LEU  14          HD21      LEU  14  -5.929  -4.241  -4.674
  107   2HD2  LEU  14          HD22      LEU  14  -5.699  -5.217  -3.222
  108   3HD2  LEU  14          HD23      LEU  14  -5.089  -5.788  -4.775
  109    HA   PRO  15           HA       PRO  15  -4.343  -6.392   1.448
  110   1HB   PRO  15          HB2       PRO  15  -1.826  -7.421   2.385
  111   2HB   PRO  15          HB1       PRO  15  -3.121  -8.302   1.570
  112   1HG   PRO  15          HG2       PRO  15  -0.553  -7.578   0.518
  113   2HG   PRO  15          HG1       PRO  15  -1.850  -8.459  -0.294
  114   1HD   PRO  15          HD2       PRO  15  -0.972  -5.760  -0.788
  115   2HD   PRO  15          HD1       PRO  15  -2.286  -6.651  -1.592
  116    H    LYS  16           HN       LYS  16  -1.076  -4.966   1.861
  117    HA   LYS  16           HA       LYS  16  -1.202  -4.305   4.598
  118   1HB   LYS  16          HB2       LYS  16   0.089  -3.040   2.172
  119   2HB   LYS  16          HB1       LYS  16   0.377  -2.421   3.798
  120   1HG   LYS  16          HG2       LYS  16   1.267  -4.551   4.522
  121   2HG   LYS  16          HG1       LYS  16   0.812  -5.310   2.996
  122   1HD   LYS  16          HD2       LYS  16   2.422  -4.033   1.771
  123   2HD   LYS  16          HD1       LYS  16   2.714  -2.963   3.141
  124   1HE   LYS  16          HE2       LYS  16   3.187  -5.622   4.053
  125   2HE   LYS  16          HE1       LYS  16   4.054  -5.421   2.517
  126   1HZ   LYS  16          HZ1       LYS  16   5.361  -4.583   4.389
  127   2HZ   LYS  16          HZ2       LYS  16   4.112  -3.503   4.788
  128   3HZ   LYS  16          HZ3       LYS  16   4.949  -3.334   3.318
  129    H    CYS  17           HN       CYS  17  -2.306  -2.414   1.778
  130    HA   CYS  17           HA       CYS  17  -3.183  -0.101   3.212
  131   1HB   CYS  17          HB2       CYS  17  -4.252  -1.352   0.660
  132   2HB   CYS  17          HB1       CYS  17  -4.414   0.339   1.132
  133    H    LYS  18           HN       LYS  18  -4.840  -3.131   2.350
  134    HA   LYS  18           HA       LYS  18  -7.462  -2.421   3.229
  135   1HB   LYS  18          HB2       LYS  18  -6.793  -4.384   1.840
  136   2HB   LYS  18          HB1       LYS  18  -6.039  -5.104   3.264
  137   1HG   LYS  18          HG2       LYS  18  -8.053  -5.619   4.240
  138   2HG   LYS  18          HG1       LYS  18  -8.868  -4.217   3.545
  139   1HD   LYS  18          HD2       LYS  18  -9.451  -5.334   1.644
  140   2HD   LYS  18          HD1       LYS  18  -7.932  -6.231   1.589
  141   1HE   LYS  18          HE2       LYS  18  -9.046  -7.324   3.821
  142   2HE   LYS  18          HE1       LYS  18 -10.502  -6.970   2.869
  143   1HZ   LYS  18          HZ1       LYS  18  -9.950  -8.860   1.803
  144   2HZ   LYS  18          HZ2       LYS  18  -8.326  -8.803   2.299
  145   3HZ   LYS  18          HZ3       LYS  18  -8.846  -7.871   0.978
  146    H    GLU  19           HN       GLU  19  -4.580  -3.400   4.981
  147    HA   GLU  19           HA       GLU  19  -6.040  -3.933   7.484
  148   1HB   GLU  19          HB2       GLU  19  -3.510  -4.494   6.294
  149   2HB   GLU  19          HB1       GLU  19  -3.204  -3.618   7.795
  150   1HG   GLU  19          HG2       GLU  19  -5.255  -5.428   8.421
  151   2HG   GLU  19          HG1       GLU  19  -4.121  -6.346   7.428
  152    H    ALA  20           HN       ALA  20  -4.133  -1.314   6.044
  153    HA   ALA  20           HA       ALA  20  -4.254   0.258   8.562
  154   1HB   ALA  20          HB1       ALA  20  -2.200   0.672   7.659
  155   2HB   ALA  20          HB2       ALA  20  -3.066   1.813   6.632
  156   3HB   ALA  20          HB3       ALA  20  -2.716   0.188   6.044
  157    H    ILE  21           HN       ILE  21  -5.935  -0.063   5.553
  158    HA   ILE  21           HA       ILE  21  -7.459   2.452   6.154
  159    HB   ILE  21           HB       ILE  21  -6.712   1.286   3.452
  160   1HG1  ILE  21          HG12      ILE  21  -5.626   3.824   4.669
  161   2HG1  ILE  21          HG11      ILE  21  -4.849   2.270   4.971
  162   1HG2  ILE  21          HG21      ILE  21  -8.831   2.704   3.673
  163   2HG2  ILE  21          HG22      ILE  21  -7.631   3.280   2.516
  164   3HG2  ILE  21          HG23      ILE  21  -7.768   4.045   4.098
  165   1HD1  ILE  21          HD11      ILE  21  -3.743   2.599   3.030
  166   2HD1  ILE  21          HD12      ILE  21  -4.812   3.922   2.562
  167   3HD1  ILE  21          HD13      ILE  21  -5.275   2.253   2.227
  168    H    GLY  22           HN       GLY  22  -7.551  -0.713   4.483
  169   1HA   GLY  22          HA2       GLY  22  -9.329  -2.319   4.813
  170   2HA   GLY  22          HA1       GLY  22 -10.368  -1.009   5.377
  171    H    LYS  23           HN       LYS  23  -8.411  -0.926   2.424
  172    HA   LYS  23           HA       LYS  23 -10.935  -1.104   0.820
  173   1HB   LYS  23          HB2       LYS  23  -9.527   1.214   1.436
  174   2HB   LYS  23          HB1       LYS  23  -8.937   0.796  -0.173
  175   1HG   LYS  23          HG2       LYS  23 -11.748   0.372  -0.183
  176   2HG   LYS  23          HG1       LYS  23 -11.464   1.949   0.553
  177   1HD   LYS  23          HD2       LYS  23 -11.016   2.830  -1.465
  178   2HD   LYS  23          HD1       LYS  23  -9.706   1.670  -1.691
  179   1HE   LYS  23          HE2       LYS  23 -11.034   0.989  -3.452
  180   2HE   LYS  23          HE1       LYS  23 -11.848   0.059  -2.177
  181   1HZ   LYS  23          HZ1       LYS  23 -13.218   2.087  -1.762
  182   2HZ   LYS  23          HZ2       LYS  23 -13.505   1.348  -3.264
  183   3HZ   LYS  23          HZ3       LYS  23 -12.568   2.762  -3.175
  184    H    ALA  24           HN       ALA  24  -7.926  -2.368   1.365
  185    HA   ALA  24           HA       ALA  24  -6.333  -3.505   0.014
  186   1HB   ALA  24          HB1       ALA  24  -8.419  -4.530  -1.750
  187   2HB   ALA  24          HB2       ALA  24  -8.941  -4.508  -0.065
  188   3HB   ALA  24          HB3       ALA  24  -7.479  -5.382  -0.526
  189    H    ALA  25           HN       ALA  25  -6.502  -0.843  -0.874
  190    HA   ALA  25           HA       ALA  25  -6.267  -1.203  -3.841
  191   1HB   ALA  25          HB1       ALA  25  -7.535   1.059  -2.262
  192   2HB   ALA  25          HB2       ALA  25  -8.382  -0.103  -3.283
  193   3HB   ALA  25          HB3       ALA  25  -7.291   1.078  -4.009
  194    H    GLY  26           HN       GLY  26  -4.037  -1.039  -4.078
  195   1HA   GLY  26          HA2       GLY  26  -2.713   1.438  -3.883
  196   2HA   GLY  26          HA1       GLY  26  -2.358   0.569  -2.389
  197    H    LYS  27           HN       LYS  27  -0.158   0.995  -3.742
  198    HA   LYS  27           HA       LYS  27   0.516  -1.660  -4.912
  199   1HB   LYS  27          HB2       LYS  27   0.862   1.059  -6.215
  200   2HB   LYS  27          HB1       LYS  27   1.674  -0.399  -6.790
  201   1HG   LYS  27          HG2       LYS  27  -0.185  -0.680  -8.063
  202   2HG   LYS  27          HG1       LYS  27  -0.921  -1.265  -6.572
  203   1HD   LYS  27          HD2       LYS  27  -2.426   0.402  -6.817
  204   2HD   LYS  27          HD1       LYS  27  -1.124   1.501  -6.357
  205   1HE   LYS  27          HE2       LYS  27  -0.826   0.812  -9.141
  206   2HE   LYS  27          HE1       LYS  27  -2.471   1.414  -8.850
  207   1HZ   LYS  27          HZ1       LYS  27  -1.185   3.336  -9.113
  208   2HZ   LYS  27          HZ2       LYS  27   0.104   2.720  -8.194
  209   3HZ   LYS  27          HZ3       LYS  27  -1.344   3.176  -7.433
  210    H    CYS  28           HN       CYS  28   3.124  -1.091  -5.663
  211    HA   CYS  28           HA       CYS  28   4.364  -0.010  -3.152
  212   1HB   CYS  28          HB2       CYS  28   4.500  -2.399  -3.090
  213   2HB   CYS  28          HB1       CYS  28   4.942  -2.487  -4.796
  214    H    MET  29           HN       MET  29   5.669   1.705  -3.629
  215    HA   MET  29           HA       MET  29   7.340   1.638  -6.083
  216   1HB   MET  29          HB2       MET  29   4.896   2.798  -6.174
  217   2HB   MET  29          HB1       MET  29   5.843   4.157  -5.570
  218   1HG   MET  29          HG2       MET  29   6.040   4.413  -7.890
  219   2HG   MET  29          HG1       MET  29   7.506   3.518  -7.487
  220   1HE   MET  29          HE1       MET  29   7.398   2.626 -10.422
  221   2HE   MET  29          HE2       MET  29   7.594   0.969  -9.857
  222   3HE   MET  29          HE3       MET  29   8.277   2.296  -8.923
  223    H    ASN  30           HN       ASN  30   9.329   2.564  -5.656
  224    HA   ASN  30           HA       ASN  30  11.019   3.739  -4.490
  225   1HB   ASN  30          HB2       ASN  30   8.507   5.228  -4.272
  226   2HB   ASN  30          HB1       ASN  30   9.597   5.551  -2.923
  227   1HD2  ASN  30          HD21      ASN  30  11.838   6.301  -3.502
  228   2HD2  ASN  30          HD22      ASN  30  12.084   7.117  -4.969
  229    H    GLY  31           HN       GLY  31   9.680   1.337  -3.298
  230   1HA   GLY  31          HA2       GLY  31   9.790   0.149  -1.278
  231   2HA   GLY  31          HA1       GLY  31  10.933   1.374  -0.729
  232    H    LYS  32           HN       LYS  32   7.629   2.069  -1.760
  233    HA   LYS  32           HA       LYS  32   6.880   2.589   1.092
  234   1HB   LYS  32          HB2       LYS  32   6.303   4.442  -1.233
  235   2HB   LYS  32          HB1       LYS  32   6.124   4.787   0.488
  236   1HG   LYS  32          HG2       LYS  32   8.748   4.084   0.404
  237   2HG   LYS  32          HG1       LYS  32   8.560   4.804  -1.196
  238   1HD   LYS  32          HD2       LYS  32   7.327   6.718   0.099
  239   2HD   LYS  32          HD1       LYS  32   8.178   6.073   1.503
  240   1HE   LYS  32          HE2       LYS  32  10.314   6.517   0.553
  241   2HE   LYS  32          HE1       LYS  32   9.630   6.748  -1.068
  242   1HZ   LYS  32          HZ1       LYS  32  10.027   8.884  -0.020
  243   2HZ   LYS  32          HZ2       LYS  32   9.080   8.435   1.317
  244   3HZ   LYS  32          HZ3       LYS  32   8.360   8.632  -0.210
  245    H    CYS  33           HN       CYS  33   4.599   2.407   1.489
  246    HA   CYS  33           HA       CYS  33   3.151   0.775  -0.521
  247   1HB   CYS  33          HB2       CYS  33   3.425   0.712   2.207
  248   2HB   CYS  33          HB1       CYS  33   1.878   1.541   2.037
  249    H    LYS  34           HN       LYS  34   1.881   1.856  -1.989
  250    HA   LYS  34           HA       LYS  34   0.835   4.557  -1.271
  251   1HB   LYS  34          HB2       LYS  34   0.911   3.075  -3.918
  252   2HB   LYS  34          HB1       LYS  34   0.597   4.795  -3.685
  253   1HG   LYS  34          HG2       LYS  34   2.982   4.495  -2.368
  254   2HG   LYS  34          HG1       LYS  34   3.160   3.339  -3.688
  255   1HD   LYS  34          HD2       LYS  34   2.205   6.170  -4.147
  256   2HD   LYS  34          HD1       LYS  34   3.916   5.736  -4.180
  257   1HE   LYS  34          HE2       LYS  34   3.715   4.886  -6.271
  258   2HE   LYS  34          HE1       LYS  34   2.343   3.873  -5.775
  259   1HZ   LYS  34          HZ1       LYS  34   2.243   6.769  -6.444
  260   2HZ   LYS  34          HZ2       LYS  34   0.933   5.864  -5.850
  261   3HZ   LYS  34          HZ3       LYS  34   1.597   5.503  -7.372
  262    H    CYS  35           HN       CYS  35  -1.115   4.240  -0.173
  263    HA   CYS  35           HA       CYS  35  -3.109   2.384  -1.428
  264   1HB   CYS  35          HB2       CYS  35  -3.146   3.546   1.368
  265   2HB   CYS  35          HB1       CYS  35  -4.004   2.128   0.772
  266    H    TYR  36           HN       TYR  36  -5.422   3.188  -1.208
  267    HA   TYR  36           HA       TYR  36  -5.523   6.155  -1.640
  268   1HB   TYR  36          HB2       TYR  36  -6.724   3.759  -2.919
  269   2HB   TYR  36          HB1       TYR  36  -7.786   5.159  -2.770
  270    HD1  TYR  36           HD1      TYR  36  -4.366   4.159  -3.913
  271    HD2  TYR  36           HD2      TYR  36  -7.607   6.953  -4.278
  272    HE1  TYR  36           HE1      TYR  36  -3.221   5.235  -5.830
  273    HE2  TYR  36           HE2      TYR  36  -6.463   8.030  -6.198
  274    HH   TYR  36           HH       TYR  36  -4.781   7.802  -7.698
  275    HA   PRO  37           HA       PRO  37  -8.204   6.665   1.805
  276   1HB   PRO  37          HB2       PRO  37 -10.110   8.279   0.375
  277   2HB   PRO  37          HB1       PRO  37  -8.821   8.818   1.455
  278   1HG   PRO  37          HG2       PRO  37  -8.943   9.065  -1.402
  279   2HG   PRO  37          HG1       PRO  37  -7.660   9.608  -0.317
  280   1HD   PRO  37          HD2       PRO  37  -7.584   7.402  -2.170
  281   2HD   PRO  37          HD1       PRO  37  -6.302   7.932  -1.055
  Start of MODEL   19
    1   1H    VAL   1          HT1       VAL   1  -3.991   8.311   2.704
    2   2H    VAL   1          HT2       VAL   1  -2.338   8.641   2.489
    3   3H    VAL   1          HT3       VAL   1  -3.206   9.409   3.730
    4    HA   VAL   1           HA       VAL   1  -2.436   7.807   5.075
    5    HB   VAL   1           HB       VAL   1  -4.472   6.409   3.319
    6   1HG1  VAL   1          HG11      VAL   1  -2.815   5.387   5.557
    7   2HG1  VAL   1          HG12      VAL   1  -3.624   4.506   4.260
    8   3HG1  VAL   1          HG13      VAL   1  -4.541   5.042   5.667
    9   1HG2  VAL   1          HG21      VAL   1  -5.725   7.930   4.484
   10   2HG2  VAL   1          HG22      VAL   1  -4.495   8.138   5.729
   11   3HG2  VAL   1          HG23      VAL   1  -5.578   6.747   5.784
   12    H    PHE   2           HN       PHE   2  -0.358   8.050   3.515
   13    HA   PHE   2           HA       PHE   2   0.239   5.557   2.037
   14   1HB   PHE   2          HB2       PHE   2   1.437   8.277   2.435
   15   2HB   PHE   2          HB1       PHE   2   2.479   6.976   1.860
   16    HD1  PHE   2           HD1      PHE   2  -1.150   7.233   1.170
   17    HD2  PHE   2           HD2      PHE   2   2.815   7.768  -0.392
   18    HE1  PHE   2           HE1      PHE   2  -2.085   7.496  -1.112
   19    HE2  PHE   2           HE2      PHE   2   1.881   8.031  -2.675
   20    HZ   PHE   2           HZ       PHE   2  -0.570   7.895  -3.034
   21    H    ILE   3           HN       ILE   3   2.364   4.442   2.545
   22    HA   ILE   3           HA       ILE   3   3.272   4.735   5.365
   23    HB   ILE   3           HB       ILE   3   2.868   2.320   5.744
   24   1HG1  ILE   3          HG12      ILE   3   1.643   2.473   2.972
   25   2HG1  ILE   3          HG11      ILE   3   3.064   1.539   3.441
   26   1HG2  ILE   3          HG21      ILE   3   0.382   3.727   4.723
   27   2HG2  ILE   3          HG22      ILE   3   1.117   4.030   6.297
   28   3HG2  ILE   3          HG23      ILE   3   0.445   2.441   5.929
   29   1HD1  ILE   3          HD11      ILE   3   0.599   0.458   3.341
   30   2HD1  ILE   3          HD12      ILE   3   0.577   1.052   5.001
   31   3HD1  ILE   3          HD13      ILE   3   1.823  -0.084   4.488
   32    H    ASN   4           HN       ASN   4   5.459   4.351   5.514
   33    HA   ASN   4           HA       ASN   4   6.863   3.401   3.061
   34   1HB   ASN   4          HB2       ASN   4   8.809   4.479   4.202
   35   2HB   ASN   4          HB1       ASN   4   7.453   5.590   3.995
   36   1HD2  ASN   4          HD21      ASN   4   9.679   4.563   6.273
   37   2HD2  ASN   4          HD22      ASN   4   8.814   4.939   7.684
   38    H    ALA   5           HN       ALA   5   5.820   1.204   4.135
   39    HA   ALA   5           HA       ALA   5   7.505   0.076   6.270
   40   1HB   ALA   5          HB1       ALA   5   5.931  -1.927   5.132
   41   2HB   ALA   5          HB2       ALA   5   4.989  -0.458   4.880
   42   3HB   ALA   5          HB3       ALA   5   5.482  -0.920   6.508
   43    H    LYS   6           HN       LYS   6   8.390   0.761   3.305
   44    HA   LYS   6           HA       LYS   6   9.814  -0.217   1.681
   45   1HB   LYS   6          HB2       LYS   6  10.588  -0.934   4.405
   46   2HB   LYS   6          HB1       LYS   6  11.181  -2.093   3.215
   47   1HG   LYS   6          HG2       LYS   6  11.629   0.380   2.013
   48   2HG   LYS   6          HG1       LYS   6  12.046   0.651   3.705
   49   1HD   LYS   6          HD2       LYS   6  13.046  -1.912   2.742
   50   2HD   LYS   6          HD1       LYS   6  13.670  -0.565   1.790
   51   1HE   LYS   6          HE2       LYS   6  13.686  -0.496   4.817
   52   2HE   LYS   6          HE1       LYS   6  15.028  -1.187   3.887
   53   1HZ   LYS   6          HZ1       LYS   6  14.240   1.225   2.680
   54   2HZ   LYS   6          HZ2       LYS   6  15.728   0.849   3.406
   55   3HZ   LYS   6          HZ3       LYS   6  14.474   1.520   4.333
   56    H    CYS   7           HN       CYS   7   7.875  -1.309   0.667
   57    HA   CYS   7           HA       CYS   7   7.191  -4.036   1.357
   58   1HB   CYS   7          HB2       CYS   7   5.820  -3.897  -0.611
   59   2HB   CYS   7          HB1       CYS   7   5.820  -2.286   0.104
   60    H    ARG   8           HN       ARG   8   7.298  -5.431  -1.054
   61    HA   ARG   8           HA       ARG   8  10.243  -5.598  -1.606
   62   1HB   ARG   8          HB2       ARG   8   8.183  -7.617  -0.808
   63   2HB   ARG   8          HB1       ARG   8   9.478  -8.141  -1.885
   64   1HG   ARG   8          HG2       ARG   8  11.085  -7.027  -0.203
   65   2HG   ARG   8          HG1       ARG   8   9.712  -7.010   0.904
   66   1HD   ARG   8          HD2       ARG   8  10.961  -9.056   1.315
   67   2HD   ARG   8          HD1       ARG   8   9.468  -9.510   0.470
   68    HE   ARG   8           HE       ARG   8  11.467  -8.909  -1.478
   69   1HH1  ARG   8          HH21      ARG   8   9.833 -11.375  -1.619
   70   2HH1  ARG   8          HH22      ARG   8  10.991 -12.621  -1.289
   71   1HH2  ARG   8          HH11      ARG   8  13.335 -10.453   0.066
   72   2HH2  ARG   8          HH12      ARG   8  12.972 -12.099  -0.334
   73    H    GLY   9           HN       GLY   9   7.017  -5.501  -2.902
   74   1HA   GLY   9          HA2       GLY   9   8.142  -5.487  -5.624
   75   2HA   GLY   9          HA1       GLY   9   7.009  -6.792  -5.288
   76    H    SER  10           HN       SER  10   4.941  -5.787  -4.005
   77    HA   SER  10           HA       SER  10   4.024  -3.171  -4.510
   78   1HB   SER  10          HB2       SER  10   4.279  -4.875  -6.863
   79   2HB   SER  10          HB1       SER  10   2.640  -4.263  -6.672
   80    HG   SER  10           HG       SER  10   5.056  -2.770  -6.728
   81    HA   PRO  11           HA       PRO  11   0.123  -6.105  -4.413
   82   1HB   PRO  11          HB2       PRO  11   1.131  -8.734  -3.807
   83   2HB   PRO  11          HB1       PRO  11   0.201  -8.215  -5.215
   84   1HG   PRO  11          HG2       PRO  11   3.000  -8.879  -5.081
   85   2HG   PRO  11          HG1       PRO  11   2.053  -8.418  -6.498
   86   1HD   PRO  11          HD2       PRO  11   4.059  -6.873  -5.183
   87   2HD   PRO  11          HD1       PRO  11   3.011  -6.347  -6.520
   88    H    GLU  12           HN       GLU  12   2.923  -6.078  -2.406
   89    HA   GLU  12           HA       GLU  12   1.732  -7.194  -0.001
   90   1HB   GLU  12          HB2       GLU  12   4.221  -6.065  -0.938
   91   2HB   GLU  12          HB1       GLU  12   3.789  -5.330   0.606
   92   1HG   GLU  12          HG2       GLU  12   4.984  -7.257   1.242
   93   2HG   GLU  12          HG1       GLU  12   3.299  -7.760   1.380
   94    H    CYS  13           HN       CYS  13   1.898  -4.013  -1.493
   95    HA   CYS  13           HA       CYS  13   1.015  -2.456   0.765
   96   1HB   CYS  13          HB2       CYS  13   2.170  -1.452  -1.091
   97   2HB   CYS  13          HB1       CYS  13   1.002  -2.096  -2.243
   98    H    LEU  14           HN       LEU  14  -0.692  -4.315  -1.713
   99    HA   LEU  14           HA       LEU  14  -3.271  -3.141  -1.486
  100   1HB   LEU  14          HB2       LEU  14  -2.010  -5.389  -2.690
  101   2HB   LEU  14          HB1       LEU  14  -3.430  -5.989  -1.834
  102    HG   LEU  14           HG       LEU  14  -4.844  -4.342  -2.965
  103   1HD1  LEU  14          HD11      LEU  14  -2.180  -3.388  -3.957
  104   2HD1  LEU  14          HD12      LEU  14  -3.560  -2.449  -3.385
  105   3HD1  LEU  14          HD13      LEU  14  -3.596  -3.183  -4.989
  106   1HD2  LEU  14          HD21      LEU  14  -4.131  -6.604  -4.025
  107   2HD2  LEU  14          HD22      LEU  14  -3.142  -5.619  -5.103
  108   3HD2  LEU  14          HD23      LEU  14  -4.892  -5.406  -5.074
  109    HA   PRO  15           HA       PRO  15  -4.246  -6.479   1.911
  110   1HB   PRO  15          HB2       PRO  15  -1.731  -7.257   3.067
  111   2HB   PRO  15          HB1       PRO  15  -2.899  -8.275   2.220
  112   1HG   PRO  15          HG2       PRO  15  -0.327  -7.382   1.293
  113   2HG   PRO  15          HG1       PRO  15  -1.480  -8.436   0.468
  114   1HD   PRO  15          HD2       PRO  15  -0.814  -5.724  -0.188
  115   2HD   PRO  15          HD1       PRO  15  -2.028  -6.763  -0.966
  116    H    LYS  16           HN       LYS  16  -1.156  -4.735   2.447
  117    HA   LYS  16           HA       LYS  16  -1.673  -3.959   5.150
  118   1HB   LYS  16          HB2       LYS  16   0.080  -3.119   2.878
  119   2HB   LYS  16          HB1       LYS  16  -0.026  -2.043   4.273
  120   1HG   LYS  16          HG2       LYS  16   0.557  -5.003   4.516
  121   2HG   LYS  16          HG1       LYS  16   1.823  -3.780   4.402
  122   1HD   LYS  16          HD2       LYS  16   1.510  -3.094   6.542
  123   2HD   LYS  16          HD1       LYS  16  -0.248  -3.149   6.392
  124   1HE   LYS  16          HE2       LYS  16   0.153  -5.776   6.392
  125   2HE   LYS  16          HE1       LYS  16   1.644  -5.317   7.239
  126   1HZ   LYS  16          HZ1       LYS  16   0.512  -4.572   9.010
  127   2HZ   LYS  16          HZ2       LYS  16  -0.762  -5.530   8.427
  128   3HZ   LYS  16          HZ3       LYS  16  -0.715  -3.871   8.075
  129    H    CYS  17           HN       CYS  17  -2.619  -2.510   2.057
  130    HA   CYS  17           HA       CYS  17  -3.469   0.041   3.047
  131   1HB   CYS  17          HB2       CYS  17  -4.089  -1.716   0.680
  132   2HB   CYS  17          HB1       CYS  17  -4.957  -0.198   0.903
  133    H    LYS  18           HN       LYS  18  -5.380  -2.915   2.340
  134    HA   LYS  18           HA       LYS  18  -7.886  -1.971   3.273
  135   1HB   LYS  18          HB2       LYS  18  -7.518  -4.023   1.967
  136   2HB   LYS  18          HB1       LYS  18  -6.652  -4.745   3.323
  137   1HG   LYS  18          HG2       LYS  18  -8.990  -3.988   4.528
  138   2HG   LYS  18          HG1       LYS  18  -9.556  -4.409   2.911
  139   1HD   LYS  18          HD2       LYS  18  -9.561  -6.546   3.673
  140   2HD   LYS  18          HD1       LYS  18  -7.812  -6.468   3.462
  141   1HE   LYS  18          HE2       LYS  18  -7.643  -5.587   5.830
  142   2HE   LYS  18          HE1       LYS  18  -9.372  -5.947   6.014
  143   1HZ   LYS  18          HZ1       LYS  18  -8.512  -7.958   6.603
  144   2HZ   LYS  18          HZ2       LYS  18  -7.119  -7.782   5.647
  145   3HZ   LYS  18          HZ3       LYS  18  -8.600  -8.201   4.927
  146    H    GLU  19           HN       GLU  19  -5.165  -3.418   5.044
  147    HA   GLU  19           HA       GLU  19  -6.603  -3.623   7.568
  148   1HB   GLU  19          HB2       GLU  19  -3.648  -3.623   6.868
  149   2HB   GLU  19          HB1       GLU  19  -4.329  -4.155   8.405
  150   1HG   GLU  19          HG2       GLU  19  -5.340  -5.360   5.846
  151   2HG   GLU  19          HG1       GLU  19  -3.818  -5.928   6.532
  152    H    ALA  20           HN       ALA  20  -4.976  -1.069   5.880
  153    HA   ALA  20           HA       ALA  20  -4.878   0.567   8.392
  154   1HB   ALA  20          HB1       ALA  20  -3.342   0.621   5.784
  155   2HB   ALA  20          HB2       ALA  20  -2.713   0.294   7.399
  156   3HB   ALA  20          HB3       ALA  20  -3.241   1.921   6.971
  157    H    ILE  21           HN       ILE  21  -6.564   0.163   5.449
  158    HA   ILE  21           HA       ILE  21  -7.695   2.925   5.722
  159    HB   ILE  21           HB       ILE  21  -6.032   2.422   3.790
  160   1HG1  ILE  21          HG12      ILE  21  -8.665   3.374   2.727
  161   2HG1  ILE  21          HG11      ILE  21  -7.926   4.268   4.057
  162   1HG2  ILE  21          HG21      ILE  21  -7.617   0.257   3.362
  163   2HG2  ILE  21          HG22      ILE  21  -6.638   1.008   2.103
  164   3HG2  ILE  21          HG23      ILE  21  -8.348   1.409   2.245
  165   1HD1  ILE  21          HD11      ILE  21  -6.239   3.522   1.691
  166   2HD1  ILE  21          HD12      ILE  21  -6.073   4.889   2.793
  167   3HD1  ILE  21          HD13      ILE  21  -7.336   4.895   1.563
  168    H    GLY  22           HN       GLY  22  -8.240  -0.478   4.959
  169   1HA   GLY  22          HA2       GLY  22 -10.448  -1.375   5.735
  170   2HA   GLY  22          HA1       GLY  22 -11.180   0.074   5.046
  171    H    LYS  23           HN       LYS  23  -9.638   0.117   2.621
  172    HA   LYS  23           HA       LYS  23 -10.662  -2.365   1.276
  173   1HB   LYS  23          HB2       LYS  23 -10.543   0.473   0.208
  174   2HB   LYS  23          HB1       LYS  23 -11.311  -0.911  -0.570
  175   1HG   LYS  23          HG2       LYS  23 -12.759  -1.096   1.540
  176   2HG   LYS  23          HG1       LYS  23 -12.159   0.508   1.961
  177   1HD   LYS  23          HD2       LYS  23 -13.898   1.267   0.715
  178   2HD   LYS  23          HD1       LYS  23 -12.886   0.850  -0.667
  179   1HE   LYS  23          HE2       LYS  23 -14.030  -1.586  -0.021
  180   2HE   LYS  23          HE1       LYS  23 -15.351  -0.437   0.275
  181   1HZ   LYS  23          HZ1       LYS  23 -14.850  -1.289  -2.140
  182   2HZ   LYS  23          HZ2       LYS  23 -13.672  -0.065  -2.101
  183   3HZ   LYS  23          HZ3       LYS  23 -15.310   0.321  -1.865
  184    H    ALA  24           HN       ALA  24  -9.141  -3.425   0.037
  185    HA   ALA  24           HA       ALA  24  -6.382  -2.501   0.000
  186   1HB   ALA  24          HB1       ALA  24  -7.985  -4.858  -0.667
  187   2HB   ALA  24          HB2       ALA  24  -6.322  -4.768  -0.091
  188   3HB   ALA  24          HB3       ALA  24  -6.669  -4.599  -1.811
  189    H    ALA  25           HN       ALA  25  -6.455  -0.489  -1.190
  190    HA   ALA  25           HA       ALA  25  -6.673  -0.873  -4.145
  191   1HB   ALA  25          HB1       ALA  25  -8.666   0.216  -3.991
  192   2HB   ALA  25          HB2       ALA  25  -7.697   1.659  -3.690
  193   3HB   ALA  25          HB3       ALA  25  -8.344   0.733  -2.336
  194    H    GLY  26           HN       GLY  26  -4.324  -0.745  -4.152
  195   1HA   GLY  26          HA2       GLY  26  -3.245   1.849  -4.541
  196   2HA   GLY  26          HA1       GLY  26  -2.833   1.345  -2.902
  197    H    LYS  27           HN       LYS  27  -0.623   1.611  -4.149
  198    HA   LYS  27           HA       LYS  27   0.266  -1.138  -4.840
  199   1HB   LYS  27          HB2       LYS  27   0.989   1.181  -6.630
  200   2HB   LYS  27          HB1       LYS  27   1.034  -0.542  -6.994
  201   1HG   LYS  27          HG2       LYS  27  -1.433  -0.627  -6.929
  202   2HG   LYS  27          HG1       LYS  27  -1.484   1.099  -6.569
  203   1HD   LYS  27          HD2       LYS  27  -0.212  -0.083  -9.055
  204   2HD   LYS  27          HD1       LYS  27  -1.845   0.580  -8.997
  205   1HE   LYS  27          HE2       LYS  27   0.401   2.292  -7.985
  206   2HE   LYS  27          HE1       LYS  27   0.186   2.121  -9.737
  207   1HZ   LYS  27          HZ1       LYS  27  -1.894   3.029  -9.675
  208   2HZ   LYS  27          HZ2       LYS  27  -1.185   3.889  -8.392
  209   3HZ   LYS  27          HZ3       LYS  27  -2.188   2.555  -8.073
  210    H    CYS  28           HN       CYS  28   2.811  -1.007  -5.173
  211    HA   CYS  28           HA       CYS  28   3.848   0.861  -3.080
  212   1HB   CYS  28          HB2       CYS  28   3.955  -1.661  -2.780
  213   2HB   CYS  28          HB1       CYS  28   5.094  -1.691  -4.128
  214    H    MET  29           HN       MET  29   5.309   2.397  -3.702
  215    HA   MET  29           HA       MET  29   6.715   2.040  -6.327
  216   1HB   MET  29          HB2       MET  29   4.721   3.595  -6.355
  217   2HB   MET  29          HB1       MET  29   5.572   4.609  -5.190
  218   1HG   MET  29          HG2       MET  29   7.082   5.363  -6.741
  219   2HG   MET  29          HG1       MET  29   7.100   3.834  -7.617
  220   1HE   MET  29          HE1       MET  29   5.268   7.492  -7.508
  221   2HE   MET  29          HE2       MET  29   5.724   7.443  -9.210
  222   3HE   MET  29          HE3       MET  29   6.900   6.997  -7.977
  223    H    ASN  30           HN       ASN  30   8.900   2.571  -6.252
  224    HA   ASN  30           HA       ASN  30  10.979   3.214  -5.328
  225   1HB   ASN  30          HB2       ASN  30   8.917   5.093  -4.369
  226   2HB   ASN  30          HB1       ASN  30  10.367   5.046  -3.368
  227   1HD2  ASN  30          HD21      ASN  30  10.068   4.601  -6.926
  228   2HD2  ASN  30          HD22      ASN  30  11.090   5.896  -7.324
  229    H    GLY  31           HN       GLY  31   8.873   1.280  -3.863
  230   1HA   GLY  31          HA2       GLY  31   9.507  -0.351  -2.201
  231   2HA   GLY  31          HA1       GLY  31  10.692   0.793  -1.572
  232    H    LYS  32           HN       LYS  32   7.586   2.115  -2.233
  233    HA   LYS  32           HA       LYS  32   6.848   1.874   0.663
  234   1HB   LYS  32          HB2       LYS  32   6.615   4.345  -1.083
  235   2HB   LYS  32          HB1       LYS  32   6.333   4.246   0.656
  236   1HG   LYS  32          HG2       LYS  32   8.917   3.185   0.218
  237   2HG   LYS  32          HG1       LYS  32   8.821   4.661  -0.743
  238   1HD   LYS  32          HD2       LYS  32   7.904   5.826   1.306
  239   2HD   LYS  32          HD1       LYS  32   8.288   4.370   2.223
  240   1HE   LYS  32          HE2       LYS  32  10.431   5.069   2.421
  241   2HE   LYS  32          HE1       LYS  32  10.588   5.085   0.653
  242   1HZ   LYS  32          HZ1       LYS  32  10.862   7.306   1.229
  243   2HZ   LYS  32          HZ2       LYS  32   9.675   7.250   2.443
  244   3HZ   LYS  32          HZ3       LYS  32   9.221   7.229   0.806
  245    H    CYS  33           HN       CYS  33   4.625   1.641   1.046
  246    HA   CYS  33           HA       CYS  33   2.959   0.896  -1.260
  247   1HB   CYS  33          HB2       CYS  33   2.789  -0.514   0.622
  248   2HB   CYS  33          HB1       CYS  33   2.779   0.840   1.747
  249    H    LYS  34           HN       LYS  34   1.094   1.997  -1.936
  250    HA   LYS  34           HA       LYS  34   0.499   4.629  -0.631
  251   1HB   LYS  34          HB2       LYS  34   0.609   4.047  -3.609
  252   2HB   LYS  34          HB1       LYS  34   0.391   5.624  -2.849
  253   1HG   LYS  34          HG2       LYS  34   2.650   5.292  -1.747
  254   2HG   LYS  34          HG1       LYS  34   2.863   3.879  -2.781
  255   1HD   LYS  34          HD2       LYS  34   2.189   6.610  -3.890
  256   2HD   LYS  34          HD1       LYS  34   3.850   6.061  -3.670
  257   1HE   LYS  34          HE2       LYS  34   3.684   5.069  -5.705
  258   2HE   LYS  34          HE1       LYS  34   2.532   3.933  -4.976
  259   1HZ   LYS  34          HZ1       LYS  34   0.730   5.261  -5.548
  260   2HZ   LYS  34          HZ2       LYS  34   1.722   5.369  -6.922
  261   3HZ   LYS  34          HZ3       LYS  34   1.684   6.640  -5.796
  262    H    CYS  35           HN       CYS  35  -1.488   3.977   0.278
  263    HA   CYS  35           HA       CYS  35  -3.402   2.360  -1.245
  264   1HB   CYS  35          HB2       CYS  35  -3.741   3.905   1.342
  265   2HB   CYS  35          HB1       CYS  35  -4.693   2.523   0.798
  266    H    TYR  36           HN       TYR  36  -5.703   3.202  -1.469
  267    HA   TYR  36           HA       TYR  36  -5.701   6.105  -2.233
  268   1HB   TYR  36          HB2       TYR  36  -6.510   3.594  -3.599
  269   2HB   TYR  36          HB1       TYR  36  -7.607   4.960  -3.803
  270    HD1  TYR  36           HD1      TYR  36  -6.994   6.877  -5.108
  271    HD2  TYR  36           HD2      TYR  36  -4.109   3.808  -4.264
  272    HE1  TYR  36           HE1      TYR  36  -5.448   7.873  -6.772
  273    HE2  TYR  36           HE2      TYR  36  -2.563   4.805  -5.928
  274    HH   TYR  36           HH       TYR  36  -2.182   7.047  -6.972
  275    HA   PRO  37           HA       PRO  37  -9.173   6.730   0.390
  276   1HB   PRO  37          HB2       PRO  37 -10.736   8.118  -1.587
  277   2HB   PRO  37          HB1       PRO  37  -9.765   8.812  -0.285
  278   1HG   PRO  37          HG2       PRO  37  -9.207   8.841  -3.098
  279   2HG   PRO  37          HG1       PRO  37  -8.230   9.518  -1.791
  280   1HD   PRO  37          HD2       PRO  37  -7.674   7.177  -3.388
  281   2HD   PRO  37          HD1       PRO  37  -6.689   7.864  -2.074
  Start of MODEL   20
    1   1H    VAL   1          HT1       VAL   1  -4.344   8.514   2.451
    2   2H    VAL   1          HT2       VAL   1  -4.007   6.870   2.718
    3   3H    VAL   1          HT3       VAL   1  -3.753   7.554   1.185
    4    HA   VAL   1           HA       VAL   1  -2.000   8.982   2.103
    5    HB   VAL   1           HB       VAL   1  -1.395   8.626   4.456
    6   1HG1  VAL   1          HG11      VAL   1  -4.356   8.877   4.648
    7   2HG1  VAL   1          HG12      VAL   1  -3.528  10.022   3.592
    8   3HG1  VAL   1          HG13      VAL   1  -3.095   9.924   5.298
    9   1HG2  VAL   1          HG21      VAL   1  -2.350   6.152   4.232
   10   2HG2  VAL   1          HG22      VAL   1  -3.811   6.904   4.870
   11   3HG2  VAL   1          HG23      VAL   1  -2.311   6.966   5.794
   12    H    PHE   2           HN       PHE   2   0.235   8.000   2.714
   13    HA   PHE   2           HA       PHE   2   0.423   5.301   1.448
   14   1HB   PHE   2          HB2       PHE   2   2.468   7.492   1.936
   15   2HB   PHE   2          HB1       PHE   2   2.754   6.016   1.017
   16    HD1  PHE   2           HD1      PHE   2  -0.436   6.379   0.153
   17    HD2  PHE   2           HD2      PHE   2   3.227   8.579  -0.294
   18    HE1  PHE   2           HE1      PHE   2  -1.339   7.465  -1.882
   19    HE2  PHE   2           HE2      PHE   2   2.323   9.667  -2.329
   20    HZ   PHE   2           HZ       PHE   2   0.040   9.112  -3.124
   21    H    ILE   3           HN       ILE   3   2.173   3.869   2.372
   22    HA   ILE   3           HA       ILE   3   2.310   4.164   5.355
   23    HB   ILE   3           HB       ILE   3   2.729   1.505   4.106
   24   1HG1  ILE   3          HG12      ILE   3   0.862   2.561   2.712
   25   2HG1  ILE   3          HG11      ILE   3   0.424   1.083   3.565
   26   1HG2  ILE   3          HG21      ILE   3   1.388   2.701   6.500
   27   2HG2  ILE   3          HG22      ILE   3   2.582   1.406   6.413
   28   3HG2  ILE   3          HG23      ILE   3   0.904   1.089   5.974
   29   1HD1  ILE   3          HD11      ILE   3  -0.569   2.416   5.383
   30   2HD1  ILE   3          HD12      ILE   3  -1.322   2.799   3.836
   31   3HD1  ILE   3          HD13      ILE   3  -0.134   3.899   4.535
   32    H    ASN   4           HN       ASN   4   4.325   3.403   6.337
   33    HA   ASN   4           HA       ASN   4   6.652   3.618   4.465
   34   1HB   ASN   4          HB2       ASN   4   7.856   4.326   6.520
   35   2HB   ASN   4          HB1       ASN   4   6.438   5.332   6.227
   36   1HD2  ASN   4          HD21      ASN   4   7.939   3.204   8.506
   37   2HD2  ASN   4          HD22      ASN   4   6.655   3.141   9.615
   38    H    ALA   5           HN       ALA   5   5.287   1.139   4.664
   39    HA   ALA   5           HA       ALA   5   6.885  -0.548   6.515
   40   1HB   ALA   5          HB1       ALA   5   5.199  -2.190   6.031
   41   2HB   ALA   5          HB2       ALA   5   4.690  -1.331   4.577
   42   3HB   ALA   5          HB3       ALA   5   4.349  -0.651   6.168
   43    H    LYS   6           HN       LYS   6   8.017   0.769   4.023
   44    HA   LYS   6           HA       LYS   6   9.189   0.170   2.036
   45   1HB   LYS   6          HB2       LYS   6  10.889  -1.565   2.654
   46   2HB   LYS   6          HB1       LYS   6  10.715  -0.294   3.862
   47   1HG   LYS   6          HG2       LYS   6   9.378  -1.714   5.276
   48   2HG   LYS   6          HG1       LYS   6   9.251  -2.940   4.017
   49   1HD   LYS   6          HD2       LYS   6  12.025  -2.288   4.571
   50   2HD   LYS   6          HD1       LYS   6  11.189  -2.829   6.027
   51   1HE   LYS   6          HE2       LYS   6  11.090  -4.322   3.383
   52   2HE   LYS   6          HE1       LYS   6  12.191  -4.729   4.714
   53   1HZ   LYS   6          HZ1       LYS   6  10.216  -4.813   6.185
   54   2HZ   LYS   6          HZ2       LYS   6  10.202  -6.008   4.978
   55   3HZ   LYS   6          HZ3       LYS   6   9.223  -4.628   4.822
   56    H    CYS   7           HN       CYS   7   7.024  -0.546   1.058
   57    HA   CYS   7           HA       CYS   7   6.056  -3.176   1.001
   58   1HB   CYS   7          HB2       CYS   7   5.165  -2.517  -1.224
   59   2HB   CYS   7          HB1       CYS   7   4.986  -1.219  -0.045
   60    H    ARG   8           HN       ARG   8   6.774  -5.074   0.112
   61    HA   ARG   8           HA       ARG   8   9.418  -5.077  -1.240
   62   1HB   ARG   8          HB2       ARG   8   7.691  -6.927   0.315
   63   2HB   ARG   8          HB1       ARG   8   8.676  -7.678  -0.942
   64   1HG   ARG   8          HG2       ARG   8  10.041  -5.675   0.777
   65   2HG   ARG   8          HG1       ARG   8   9.607  -7.201   1.548
   66   1HD   ARG   8          HD2       ARG   8  10.891  -7.351  -1.151
   67   2HD   ARG   8          HD1       ARG   8  11.923  -6.947   0.237
   68    HE   ARG   8           HE       ARG   8  10.674  -9.019   1.310
   69   1HH1  ARG   8          HH21      ARG   8  12.335  -8.620  -1.641
   70   2HH1  ARG   8          HH22      ARG   8  12.223 -10.286  -2.104
   71   1HH2  ARG   8          HH11      ARG   8  10.213 -11.171   0.579
   72   2HH2  ARG   8          HH12      ARG   8  11.023 -11.730  -0.846
   73    H    GLY   9           HN       GLY   9   6.067  -5.288  -1.991
   74   1HA   GLY   9          HA2       GLY   9   6.663  -5.670  -4.828
   75   2HA   GLY   9          HA1       GLY   9   5.774  -7.013  -4.105
   76    H    SER  10           HN       SER  10   4.740  -5.258  -6.149
   77    HA   SER  10           HA       SER  10   3.078  -3.170  -5.179
   78   1HB   SER  10          HB2       SER  10   1.810  -4.542  -7.335
   79   2HB   SER  10          HB1       SER  10   2.788  -3.081  -7.409
   80    HG   SER  10           HG       SER  10   4.530  -4.254  -7.896
   81    HA   PRO  11           HA       PRO  11  -0.421  -6.528  -4.849
   82   1HB   PRO  11          HB2       PRO  11   0.887  -9.052  -4.388
   83   2HB   PRO  11          HB1       PRO  11  -0.162  -8.597  -5.734
   84   1HG   PRO  11          HG2       PRO  11   2.660  -9.028  -5.802
   85   2HG   PRO  11          HG1       PRO  11   1.619  -8.497  -7.125
   86   1HD   PRO  11          HD2       PRO  11   3.560  -6.948  -5.635
   87   2HD   PRO  11          HD1       PRO  11   2.582  -6.436  -7.032
   88    H    GLU  12           HN       GLU  12   2.502  -6.245  -3.075
   89    HA   GLU  12           HA       GLU  12   1.527  -7.484  -0.597
   90   1HB   GLU  12          HB2       GLU  12   3.883  -5.690  -1.272
   91   2HB   GLU  12          HB1       GLU  12   3.671  -6.530   0.265
   92   1HG   GLU  12          HG2       GLU  12   3.545  -8.107  -2.285
   93   2HG   GLU  12          HG1       GLU  12   5.119  -7.627  -1.651
   94    H    CYS  13           HN       CYS  13   1.752  -4.229  -1.982
   95    HA   CYS  13           HA       CYS  13   1.112  -2.779   0.416
   96   1HB   CYS  13          HB2       CYS  13   2.049  -2.095  -1.958
   97   2HB   CYS  13          HB1       CYS  13   0.343  -1.880  -2.347
   98    H    LEU  14           HN       LEU  14  -0.820  -4.643  -1.803
   99    HA   LEU  14           HA       LEU  14  -3.362  -3.408  -1.449
  100   1HB   LEU  14          HB2       LEU  14  -2.202  -5.906  -2.415
  101   2HB   LEU  14          HB1       LEU  14  -3.767  -6.170  -1.648
  102    HG   LEU  14           HG       LEU  14  -4.076  -5.693  -4.034
  103   1HD1  LEU  14          HD11      LEU  14  -5.888  -4.344  -3.682
  104   2HD1  LEU  14          HD12      LEU  14  -4.936  -3.108  -2.861
  105   3HD1  LEU  14          HD13      LEU  14  -5.450  -4.550  -1.987
  106   1HD2  LEU  14          HD21      LEU  14  -3.259  -2.880  -3.879
  107   2HD2  LEU  14          HD22      LEU  14  -2.921  -4.078  -5.129
  108   3HD2  LEU  14          HD23      LEU  14  -1.907  -3.997  -3.687
  109    HA   PRO  15           HA       PRO  15  -4.004  -6.482   2.280
  110   1HB   PRO  15          HB2       PRO  15  -1.370  -7.235   3.162
  111   2HB   PRO  15          HB1       PRO  15  -2.654  -8.288   2.561
  112   1HG   PRO  15          HG2       PRO  15  -0.214  -7.501   1.227
  113   2HG   PRO  15          HG1       PRO  15  -1.450  -8.637   0.675
  114   1HD   PRO  15          HD2       PRO  15  -0.918  -6.041  -0.378
  115   2HD   PRO  15          HD1       PRO  15  -2.274  -7.112  -0.799
  116    H    LYS  16           HN       LYS  16  -0.979  -4.599   2.082
  117    HA   LYS  16           HA       LYS  16  -1.046  -3.629   4.804
  118   1HB   LYS  16          HB2       LYS  16   0.298  -2.818   2.220
  119   2HB   LYS  16          HB1       LYS  16   0.554  -1.913   3.712
  120   1HG   LYS  16          HG2       LYS  16   1.024  -4.314   4.717
  121   2HG   LYS  16          HG1       LYS  16   1.366  -4.718   3.034
  122   1HD   LYS  16          HD2       LYS  16   2.775  -2.451   3.168
  123   2HD   LYS  16          HD1       LYS  16   2.830  -2.880   4.878
  124   1HE   LYS  16          HE2       LYS  16   4.757  -3.913   3.857
  125   2HE   LYS  16          HE1       LYS  16   3.582  -5.217   4.118
  126   1HZ   LYS  16          HZ1       LYS  16   3.993  -5.513   1.907
  127   2HZ   LYS  16          HZ2       LYS  16   4.346  -3.876   1.627
  128   3HZ   LYS  16          HZ3       LYS  16   2.734  -4.384   1.791
  129    H    CYS  17           HN       CYS  17  -2.268  -2.378   1.701
  130    HA   CYS  17           HA       CYS  17  -3.177   0.158   2.816
  131   1HB   CYS  17          HB2       CYS  17  -3.640  -1.396   0.258
  132   2HB   CYS  17          HB1       CYS  17  -4.396   0.170   0.550
  133    H    LYS  18           HN       LYS  18  -4.623  -3.019   2.188
  134    HA   LYS  18           HA       LYS  18  -7.361  -2.272   2.695
  135   1HB   LYS  18          HB2       LYS  18  -6.913  -4.295   1.528
  136   2HB   LYS  18          HB1       LYS  18  -5.742  -4.825   2.737
  137   1HG   LYS  18          HG2       LYS  18  -7.402  -5.416   4.278
  138   2HG   LYS  18          HG1       LYS  18  -8.609  -4.373   3.525
  139   1HD   LYS  18          HD2       LYS  18  -9.107  -5.903   1.872
  140   2HD   LYS  18          HD1       LYS  18  -7.482  -6.589   1.872
  141   1HE   LYS  18          HE2       LYS  18  -8.030  -7.530   4.197
  142   2HE   LYS  18          HE1       LYS  18  -9.719  -7.112   3.845
  143   1HZ   LYS  18          HZ1       LYS  18  -9.004  -8.246   1.551
  144   2HZ   LYS  18          HZ2       LYS  18  -9.703  -9.116   2.833
  145   3HZ   LYS  18          HZ3       LYS  18  -8.017  -9.126   2.614
  146    H    GLU  19           HN       GLU  19  -4.701  -3.398   4.755
  147    HA   GLU  19           HA       GLU  19  -6.424  -3.469   7.155
  148   1HB   GLU  19          HB2       GLU  19  -3.428  -3.818   6.802
  149   2HB   GLU  19          HB1       GLU  19  -4.385  -4.325   8.194
  150   1HG   GLU  19          HG2       GLU  19  -5.268  -5.339   5.540
  151   2HG   GLU  19          HG1       GLU  19  -3.763  -6.002   6.175
  152    H    ALA  20           HN       ALA  20  -4.347  -1.236   5.510
  153    HA   ALA  20           HA       ALA  20  -3.599   0.372   7.816
  154   1HB   ALA  20          HB1       ALA  20  -3.361   1.988   5.629
  155   2HB   ALA  20          HB2       ALA  20  -3.383   0.401   4.861
  156   3HB   ALA  20          HB3       ALA  20  -2.164   0.774   6.079
  157    H    ILE  21           HN       ILE  21  -5.893   0.950   5.116
  158    HA   ILE  21           HA       ILE  21  -7.310   2.925   6.864
  159    HB   ILE  21           HB       ILE  21  -8.081   3.866   4.738
  160   1HG1  ILE  21          HG12      ILE  21  -6.640   1.491   3.513
  161   2HG1  ILE  21          HG11      ILE  21  -8.378   1.784   3.484
  162   1HG2  ILE  21          HG21      ILE  21  -6.115   4.949   4.600
  163   2HG2  ILE  21          HG22      ILE  21  -5.375   3.554   3.814
  164   3HG2  ILE  21          HG23      ILE  21  -5.376   3.677   5.573
  165   1HD1  ILE  21          HD11      ILE  21  -6.462   2.680   1.609
  166   2HD1  ILE  21          HD12      ILE  21  -6.980   4.110   2.501
  167   3HD1  ILE  21          HD13      ILE  21  -8.171   3.106   1.674
  168    H    GLY  22           HN       GLY  22  -7.771   0.071   4.806
  169   1HA   GLY  22          HA2       GLY  22  -9.550  -1.486   5.803
  170   2HA   GLY  22          HA1       GLY  22 -10.599  -0.068   5.770
  171    H    LYS  23           HN       LYS  23  -8.478  -0.119   3.114
  172    HA   LYS  23           HA       LYS  23 -10.502  -1.517   1.408
  173   1HB   LYS  23          HB2       LYS  23 -10.439   1.148   1.639
  174   2HB   LYS  23          HB1       LYS  23  -9.157   0.970   0.439
  175   1HG   LYS  23          HG2       LYS  23 -10.614  -0.117  -1.104
  176   2HG   LYS  23          HG1       LYS  23 -11.852  -0.361   0.129
  177   1HD   LYS  23          HD2       LYS  23 -12.124   2.108   0.302
  178   2HD   LYS  23          HD1       LYS  23 -10.956   2.303  -1.007
  179   1HE   LYS  23          HE2       LYS  23 -12.414   1.453  -2.617
  180   2HE   LYS  23          HE1       LYS  23 -13.335   0.509  -1.429
  181   1HZ   LYS  23          HZ1       LYS  23 -13.235   3.478  -1.522
  182   2HZ   LYS  23          HZ2       LYS  23 -14.169   2.532  -0.464
  183   3HZ   LYS  23          HZ3       LYS  23 -14.512   2.543  -2.128
  184    H    ALA  24           HN       ALA  24  -9.568  -2.825  -0.139
  185    HA   ALA  24           HA       ALA  24  -6.634  -3.086  -0.170
  186   1HB   ALA  24          HB1       ALA  24  -8.147  -5.029  -0.091
  187   2HB   ALA  24          HB2       ALA  24  -7.200  -5.056  -1.579
  188   3HB   ALA  24          HB3       ALA  24  -8.881  -4.527  -1.614
  189    H    ALA  25           HN       ALA  25  -6.386  -0.845  -1.175
  190    HA   ALA  25           HA       ALA  25  -6.308  -1.111  -4.132
  191   1HB   ALA  25          HB1       ALA  25  -8.084   0.640  -2.516
  192   2HB   ALA  25          HB2       ALA  25  -8.329  -0.018  -4.133
  193   3HB   ALA  25          HB3       ALA  25  -7.311   1.403  -3.904
  194    H    GLY  26           HN       GLY  26  -3.993  -1.031  -3.911
  195   1HA   GLY  26          HA2       GLY  26  -2.894   1.658  -3.704
  196   2HA   GLY  26          HA1       GLY  26  -2.429   0.629  -2.348
  197    H    LYS  27           HN       LYS  27  -0.324   1.388  -3.716
  198    HA   LYS  27           HA       LYS  27   0.451  -1.031  -5.281
  199   1HB   LYS  27          HB2       LYS  27   0.983   1.835  -6.123
  200   2HB   LYS  27          HB1       LYS  27   1.336   0.376  -7.051
  201   1HG   LYS  27          HG2       LYS  27  -1.147  -0.138  -6.997
  202   2HG   LYS  27          HG1       LYS  27  -1.391   1.475  -6.323
  203   1HD   LYS  27          HD2       LYS  27  -0.158   0.793  -9.008
  204   2HD   LYS  27          HD1       LYS  27  -1.692   1.617  -8.723
  205   1HE   LYS  27          HE2       LYS  27  -0.474   3.539  -8.917
  206   2HE   LYS  27          HE1       LYS  27   0.115   3.164  -7.286
  207   1HZ   LYS  27          HZ1       LYS  27   1.786   3.398  -9.273
  208   2HZ   LYS  27          HZ2       LYS  27   1.332   1.788  -9.574
  209   3HZ   LYS  27          HZ3       LYS  27   2.021   2.215  -8.080
  210    H    CYS  28           HN       CYS  28   3.007  -0.562  -5.838
  211    HA   CYS  28           HA       CYS  28   4.279   0.484  -3.333
  212   1HB   CYS  28          HB2       CYS  28   4.223  -1.884  -3.096
  213   2HB   CYS  28          HB1       CYS  28   4.625  -2.141  -4.794
  214    H    MET  29           HN       MET  29   5.661   2.098  -3.917
  215    HA   MET  29           HA       MET  29   7.396   1.732  -6.310
  216   1HB   MET  29          HB2       MET  29   6.769   4.049  -7.033
  217   2HB   MET  29          HB1       MET  29   5.404   2.932  -7.075
  218   1HG   MET  29          HG2       MET  29   4.275   4.127  -5.532
  219   2HG   MET  29          HG1       MET  29   5.673   4.173  -4.457
  220   1HE   MET  29          HE1       MET  29   4.786   4.964  -7.857
  221   2HE   MET  29          HE2       MET  29   5.618   6.461  -8.271
  222   3HE   MET  29          HE3       MET  29   3.987   6.523  -7.610
  223    H    ASN  30           HN       ASN  30   9.413   2.794  -6.059
  224    HA   ASN  30           HA       ASN  30  11.177   3.831  -4.868
  225   1HB   ASN  30          HB2       ASN  30   8.770   5.411  -4.679
  226   2HB   ASN  30          HB1       ASN  30   9.691   5.569  -3.182
  227   1HD2  ASN  30          HD21      ASN  30   9.587   6.482  -6.533
  228   2HD2  ASN  30          HD22      ASN  30  11.063   7.320  -6.566
  229    H    GLY  31           HN       GLY  31   9.693   1.450  -3.729
  230   1HA   GLY  31          HA2       GLY  31   9.840   0.166  -1.768
  231   2HA   GLY  31          HA1       GLY  31  11.018   1.341  -1.180
  232    H    LYS  32           HN       LYS  32   7.790   2.283  -2.181
  233    HA   LYS  32           HA       LYS  32   7.102   2.759   0.700
  234   1HB   LYS  32          HB2       LYS  32   7.196   4.509  -1.700
  235   2HB   LYS  32          HB1       LYS  32   5.816   4.747  -0.627
  236   1HG   LYS  32          HG2       LYS  32   7.933   4.520   1.140
  237   2HG   LYS  32          HG1       LYS  32   8.641   5.415  -0.204
  238   1HD   LYS  32          HD2       LYS  32   7.716   7.112   1.140
  239   2HD   LYS  32          HD1       LYS  32   6.480   6.855  -0.091
  240   1HE   LYS  32          HE2       LYS  32   4.992   6.385   1.549
  241   2HE   LYS  32          HE1       LYS  32   5.984   4.990   2.020
  242   1HZ   LYS  32          HZ1       LYS  32   7.332   6.360   3.389
  243   2HZ   LYS  32          HZ2       LYS  32   5.720   6.715   3.790
  244   3HZ   LYS  32          HZ3       LYS  32   6.608   7.781   2.810
  245    H    CYS  33           HN       CYS  33   4.760   2.801   1.117
  246    HA   CYS  33           HA       CYS  33   3.254   1.036  -0.775
  247   1HB   CYS  33          HB2       CYS  33   3.839   0.825   1.894
  248   2HB   CYS  33          HB1       CYS  33   2.247   1.574   1.951
  249    H    LYS  34           HN       LYS  34   1.751   2.126  -2.000
  250    HA   LYS  34           HA       LYS  34   0.655   4.704  -0.952
  251   1HB   LYS  34          HB2       LYS  34   1.019   3.442  -3.671
  252   2HB   LYS  34          HB1       LYS  34  -0.032   4.840  -3.450
  253   1HG   LYS  34          HG2       LYS  34   2.019   5.884  -2.219
  254   2HG   LYS  34          HG1       LYS  34   2.945   4.640  -3.059
  255   1HD   LYS  34          HD2       LYS  34   1.114   6.663  -4.384
  256   2HD   LYS  34          HD1       LYS  34   2.877   6.734  -4.371
  257   1HE   LYS  34          HE2       LYS  34   2.973   5.335  -6.147
  258   2HE   LYS  34          HE1       LYS  34   2.014   4.122  -5.275
  259   1HZ   LYS  34          HZ1       LYS  34   0.684   6.536  -6.292
  260   2HZ   LYS  34          HZ2       LYS  34   0.046   4.982  -6.035
  261   3HZ   LYS  34          HZ3       LYS  34   1.037   5.284  -7.381
  262    H    CYS  35           HN       CYS  35  -1.434   4.679  -0.220
  263    HA   CYS  35           HA       CYS  35  -3.232   2.463  -1.155
  264   1HB   CYS  35          HB2       CYS  35  -3.257   3.986   1.471
  265   2HB   CYS  35          HB1       CYS  35  -4.211   2.558   1.074
  266    H    TYR  36           HN       TYR  36  -5.299   3.078  -1.859
  267    HA   TYR  36           HA       TYR  36  -5.782   6.024  -2.052
  268   1HB   TYR  36          HB2       TYR  36  -6.513   3.614  -3.713
  269   2HB   TYR  36          HB1       TYR  36  -7.331   5.160  -3.939
  270    HD1  TYR  36           HD1      TYR  36  -6.194   7.060  -4.911
  271    HD2  TYR  36           HD2      TYR  36  -4.081   3.404  -4.129
  272    HE1  TYR  36           HE1      TYR  36  -4.285   7.874  -6.270
  273    HE2  TYR  36           HE2      TYR  36  -2.173   4.215  -5.489
  274    HH   TYR  36           HH       TYR  36  -1.751   5.828  -7.287
  275    HA   PRO  37           HA       PRO  37  -9.067   5.243   0.910
  276   1HB   PRO  37          HB2       PRO  37 -10.199   7.803   0.248
  277   2HB   PRO  37          HB1       PRO  37  -9.252   7.370   1.674
  278   1HG   PRO  37          HG2       PRO  37  -8.443   9.006  -0.534
  279   2HG   PRO  37          HG1       PRO  37  -7.494   8.549   0.882
  280   1HD   PRO  37          HD2       PRO  37  -7.187   7.617  -1.836
  281   2HD   PRO  37          HD1       PRO  37  -6.217   7.174  -0.409
  Start of MODEL   21
    1   1H    VAL   1          HT1       VAL   1  -3.215   9.861   3.081
    2   2H    VAL   1          HT2       VAL   1  -2.168   9.317   1.859
    3   3H    VAL   1          HT3       VAL   1  -1.618   9.435   3.463
    4    HA   VAL   1           HA       VAL   1  -3.050   7.655   4.163
    5    HB   VAL   1           HB       VAL   1  -4.545   6.643   2.445
    6   1HG1  VAL   1          HG11      VAL   1  -5.118   8.735   3.910
    7   2HG1  VAL   1          HG12      VAL   1  -6.195   8.304   2.582
    8   3HG1  VAL   1          HG13      VAL   1  -5.029   9.613   2.383
    9   1HG2  VAL   1          HG21      VAL   1  -3.952   8.981   0.654
   10   2HG2  VAL   1          HG22      VAL   1  -4.637   7.409   0.241
   11   3HG2  VAL   1          HG23      VAL   1  -2.914   7.557   0.582
   12    H    PHE   2           HN       PHE   2  -0.358   8.059   3.173
   13    HA   PHE   2           HA       PHE   2   0.157   5.523   1.662
   14   1HB   PHE   2          HB2       PHE   2   1.394   8.233   1.858
   15   2HB   PHE   2          HB1       PHE   2   2.484   6.876   1.573
   16    HD1  PHE   2           HD1      PHE   2  -1.054   7.172   0.443
   17    HD2  PHE   2           HD2      PHE   2   3.084   7.227  -0.704
   18    HE1  PHE   2           HE1      PHE   2  -1.718   7.139  -1.944
   19    HE2  PHE   2           HE2      PHE   2   2.420   7.195  -3.093
   20    HZ   PHE   2           HZ       PHE   2   0.020   7.151  -3.712
   21    H    ILE   3           HN       ILE   3   1.707   4.044   2.522
   22    HA   ILE   3           HA       ILE   3   2.656   4.640   5.308
   23    HB   ILE   3           HB       ILE   3   2.237   2.150   5.675
   24   1HG1  ILE   3          HG12      ILE   3   0.259   2.137   3.487
   25   2HG1  ILE   3          HG11      ILE   3   1.937   2.103   2.944
   26   1HG2  ILE   3          HG21      ILE   3  -0.159   3.863   4.948
   27   2HG2  ILE   3          HG22      ILE   3   0.705   3.930   6.484
   28   3HG2  ILE   3          HG23      ILE   3  -0.170   2.469   6.028
   29   1HD1  ILE   3          HD11      ILE   3   2.320   0.222   4.610
   30   2HD1  ILE   3          HD12      ILE   3   1.272  -0.185   3.252
   31   3HD1  ILE   3          HD13      ILE   3   0.571   0.169   4.830
   32    H    ASN   4           HN       ASN   4   4.785   4.032   5.725
   33    HA   ASN   4           HA       ASN   4   6.357   3.074   3.380
   34   1HB   ASN   4          HB2       ASN   4   8.251   3.977   4.739
   35   2HB   ASN   4          HB1       ASN   4   6.998   5.184   4.446
   36   1HD2  ASN   4          HD21      ASN   4   8.775   5.401   6.683
   37   2HD2  ASN   4          HD22      ASN   4   7.874   5.183   8.106
   38    H    ALA   5           HN       ALA   5   5.273   0.847   4.051
   39    HA   ALA   5           HA       ALA   5   6.525  -0.443   6.392
   40   1HB   ALA   5          HB1       ALA   5   4.280  -0.823   4.583
   41   2HB   ALA   5          HB2       ALA   5   4.533  -1.503   6.192
   42   3HB   ALA   5          HB3       ALA   5   5.191  -2.322   4.774
   43    H    LYS   6           HN       LYS   6   7.819   0.428   3.586
   44    HA   LYS   6           HA       LYS   6   9.535  -0.415   2.190
   45   1HB   LYS   6          HB2       LYS   6  10.034  -2.250   4.545
   46   2HB   LYS   6          HB1       LYS   6  11.221  -1.568   3.435
   47   1HG   LYS   6          HG2       LYS   6  11.389   0.339   4.634
   48   2HG   LYS   6          HG1       LYS   6   9.640   0.499   4.780
   49   1HD   LYS   6          HD2       LYS   6  10.014  -1.599   6.428
   50   2HD   LYS   6          HD1       LYS   6  11.583  -0.815   6.611
   51   1HE   LYS   6          HE2       LYS   6  10.503   1.290   7.251
   52   2HE   LYS   6          HE1       LYS   6   8.903   0.574   6.976
   53   1HZ   LYS   6          HZ1       LYS   6  10.773   0.127   9.150
   54   2HZ   LYS   6          HZ2       LYS   6  10.041  -1.275   8.529
   55   3HZ   LYS   6          HZ3       LYS   6   9.083  -0.007   9.131
   56    H    CYS   7           HN       CYS   7   7.325  -1.502   1.244
   57    HA   CYS   7           HA       CYS   7   7.075  -4.372   1.523
   58   1HB   CYS   7          HB2       CYS   7   5.467  -4.091  -0.276
   59   2HB   CYS   7          HB1       CYS   7   5.309  -2.724   0.825
   60    H    ARG   8           HN       ARG   8   7.539  -5.940  -0.203
   61    HA   ARG   8           HA       ARG   8  10.061  -5.280  -1.653
   62   1HB   ARG   8          HB2       ARG   8   8.644  -7.813  -0.793
   63   2HB   ARG   8          HB1       ARG   8  10.043  -7.843  -1.866
   64   1HG   ARG   8          HG2       ARG   8  10.736  -6.123   0.265
   65   2HG   ARG   8          HG1       ARG   8   9.973  -7.533   1.003
   66   1HD   ARG   8          HD2       ARG   8  11.645  -8.556  -1.036
   67   2HD   ARG   8          HD1       ARG   8  12.604  -7.333  -0.176
   68    HE   ARG   8           HE       ARG   8  11.359  -9.730   1.069
   69   1HH1  ARG   8          HH11      ARG   8  11.270  -7.235   2.803
   70   2HH1  ARG   8          HH12      ARG   8  12.741  -7.395   3.703
   71   1HH2  ARG   8          HH21      ARG   8  14.098  -9.765   1.565
   72   2HH2  ARG   8          HH22      ARG   8  14.342  -8.831   3.003
   73    H    GLY   9           HN       GLY   9   6.693  -5.847  -2.174
   74   1HA   GLY   9          HA2       GLY   9   7.170  -5.783  -5.109
   75   2HA   GLY   9          HA1       GLY   9   6.119  -7.037  -4.450
   76    H    SER  10           HN       SER  10   5.419  -4.867  -6.296
   77    HA   SER  10           HA       SER  10   4.072  -2.682  -5.166
   78   1HB   SER  10          HB2       SER  10   3.976  -2.543  -7.429
   79   2HB   SER  10          HB1       SER  10   4.038  -4.293  -7.619
   80    HG   SER  10           HG       SER  10   2.032  -3.412  -8.294
   81    HA   PRO  11           HA       PRO  11   0.104  -5.489  -4.878
   82   1HB   PRO  11          HB2       PRO  11   1.031  -8.173  -4.420
   83   2HB   PRO  11          HB1       PRO  11   0.056  -7.567  -5.763
   84   1HG   PRO  11          HG2       PRO  11   2.791  -8.399  -5.832
   85   2HG   PRO  11          HG1       PRO  11   1.832  -7.736  -7.158
   86   1HD   PRO  11          HD2       PRO  11   3.979  -6.470  -5.694
   87   2HD   PRO  11          HD1       PRO  11   3.061  -5.819  -7.073
   88    H    GLU  12           HN       GLU  12   3.075  -6.137  -3.077
   89    HA   GLU  12           HA       GLU  12   2.068  -7.181  -0.667
   90   1HB   GLU  12          HB2       GLU  12   4.439  -6.873  -1.162
   91   2HB   GLU  12          HB1       GLU  12   4.233  -5.122  -1.189
   92   1HG   GLU  12          HG2       GLU  12   4.969  -5.359   0.985
   93   2HG   GLU  12          HG1       GLU  12   3.241  -5.585   1.252
   94    H    CYS  13           HN       CYS  13   1.842  -3.906  -1.942
   95    HA   CYS  13           HA       CYS  13   1.036  -2.604   0.503
   96   1HB   CYS  13          HB2       CYS  13   1.890  -1.296  -1.291
   97   2HB   CYS  13          HB1       CYS  13   0.794  -2.037  -2.456
   98    H    LEU  14           HN       LEU  14  -0.767  -4.253  -2.100
   99    HA   LEU  14           HA       LEU  14  -3.375  -3.455  -1.628
  100   1HB   LEU  14          HB2       LEU  14  -1.959  -5.782  -2.645
  101   2HB   LEU  14          HB1       LEU  14  -3.473  -6.249  -1.878
  102    HG   LEU  14           HG       LEU  14  -3.948  -5.774  -4.197
  103   1HD1  LEU  14          HD11      LEU  14  -5.118  -4.376  -2.038
  104   2HD1  LEU  14          HD12      LEU  14  -5.842  -4.710  -3.611
  105   3HD1  LEU  14          HD13      LEU  14  -4.960  -3.205  -3.348
  106   1HD2  LEU  14          HD21      LEU  14  -3.089  -3.985  -5.380
  107   2HD2  LEU  14          HD22      LEU  14  -1.804  -4.173  -4.187
  108   3HD2  LEU  14          HD23      LEU  14  -3.042  -2.937  -3.962
  109    HA   PRO  15           HA       PRO  15  -3.788  -6.603   2.049
  110   1HB   PRO  15          HB2       PRO  15  -1.128  -7.177   2.975
  111   2HB   PRO  15          HB1       PRO  15  -2.307  -8.309   2.308
  112   1HG   PRO  15          HG2       PRO  15   0.103  -7.332   1.076
  113   2HG   PRO  15          HG1       PRO  15  -1.057  -8.498   0.432
  114   1HD   PRO  15          HD2       PRO  15  -0.631  -5.791  -0.433
  115   2HD   PRO  15          HD1       PRO  15  -1.843  -6.948  -1.031
  116    H    LYS  16           HN       LYS  16  -0.726  -4.742   2.139
  117    HA   LYS  16           HA       LYS  16  -0.893  -3.753   4.785
  118   1HB   LYS  16          HB2       LYS  16   0.237  -2.669   2.194
  119   2HB   LYS  16          HB1       LYS  16   0.503  -1.867   3.742
  120   1HG   LYS  16          HG2       LYS  16   1.175  -4.775   3.216
  121   2HG   LYS  16          HG1       LYS  16   2.343  -3.458   3.095
  122   1HD   LYS  16          HD2       LYS  16   2.671  -3.540   5.316
  123   2HD   LYS  16          HD1       LYS  16   0.963  -3.181   5.581
  124   1HE   LYS  16          HE2       LYS  16   0.620  -5.298   6.301
  125   2HE   LYS  16          HE1       LYS  16   1.229  -5.934   4.760
  126   1HZ   LYS  16          HZ1       LYS  16   2.852  -5.087   7.100
  127   2HZ   LYS  16          HZ2       LYS  16   3.503  -5.493   5.584
  128   3HZ   LYS  16          HZ3       LYS  16   2.684  -6.665   6.502
  129    H    CYS  17           HN       CYS  17  -2.299  -2.461   1.773
  130    HA   CYS  17           HA       CYS  17  -3.307  -0.012   2.829
  131   1HB   CYS  17          HB2       CYS  17  -3.095  -0.978   0.411
  132   2HB   CYS  17          HB1       CYS  17  -4.691  -1.660   0.719
  133    H    LYS  18           HN       LYS  18  -4.923  -3.194   2.456
  134    HA   LYS  18           HA       LYS  18  -7.401  -2.394   3.678
  135   1HB   LYS  18          HB2       LYS  18  -7.057  -4.365   2.210
  136   2HB   LYS  18          HB1       LYS  18  -6.051  -5.107   3.454
  137   1HG   LYS  18          HG2       LYS  18  -8.017  -4.953   5.026
  138   2HG   LYS  18          HG1       LYS  18  -8.996  -4.429   3.656
  139   1HD   LYS  18          HD2       LYS  18  -7.399  -6.861   3.160
  140   2HD   LYS  18          HD1       LYS  18  -8.657  -7.044   4.383
  141   1HE   LYS  18          HE2       LYS  18 -10.362  -6.768   2.859
  142   2HE   LYS  18          HE1       LYS  18  -9.433  -5.613   1.881
  143   1HZ   LYS  18          HZ1       LYS  18  -8.538  -8.410   2.111
  144   2HZ   LYS  18          HZ2       LYS  18  -8.230  -7.285   0.875
  145   3HZ   LYS  18          HZ3       LYS  18  -9.760  -8.012   1.005
  146    H    GLU  19           HN       GLU  19  -4.291  -3.210   4.974
  147    HA   GLU  19           HA       GLU  19  -5.359  -3.804   7.674
  148   1HB   GLU  19          HB2       GLU  19  -3.158  -4.581   6.145
  149   2HB   GLU  19          HB1       GLU  19  -2.469  -3.500   7.357
  150   1HG   GLU  19          HG2       GLU  19  -3.592  -4.793   9.142
  151   2HG   GLU  19          HG1       GLU  19  -4.253  -5.886   7.924
  152    H    ALA  20           HN       ALA  20  -4.312  -1.094   5.853
  153    HA   ALA  20           HA       ALA  20  -3.579   0.448   8.302
  154   1HB   ALA  20          HB1       ALA  20  -2.436   1.878   6.807
  155   2HB   ALA  20          HB2       ALA  20  -3.423   1.374   5.435
  156   3HB   ALA  20          HB3       ALA  20  -2.209   0.280   6.098
  157    H    ILE  21           HN       ILE  21  -5.277   1.319   5.265
  158    HA   ILE  21           HA       ILE  21  -7.034   3.146   6.763
  159    HB   ILE  21           HB       ILE  21  -7.894   3.561   4.403
  160   1HG1  ILE  21          HG12      ILE  21  -5.529   1.979   3.451
  161   2HG1  ILE  21          HG11      ILE  21  -7.047   1.138   3.769
  162   1HG2  ILE  21          HG21      ILE  21  -6.132   4.951   5.362
  163   2HG2  ILE  21          HG22      ILE  21  -5.770   4.638   3.664
  164   3HG2  ILE  21          HG23      ILE  21  -4.914   3.753   4.927
  165   1HD1  ILE  21          HD11      ILE  21  -7.974   1.943   1.879
  166   2HD1  ILE  21          HD12      ILE  21  -6.376   2.544   1.437
  167   3HD1  ILE  21          HD13      ILE  21  -7.509   3.595   2.289
  168    H    GLY  22           HN       GLY  22  -7.240  -0.033   5.239
  169   1HA   GLY  22          HA2       GLY  22  -8.948  -1.579   6.176
  170   2HA   GLY  22          HA1       GLY  22 -10.054  -0.207   6.237
  171    H    LYS  23           HN       LYS  23  -8.052  -0.386   3.437
  172    HA   LYS  23           HA       LYS  23 -10.093  -1.872   1.877
  173   1HB   LYS  23          HB2       LYS  23  -9.651   1.060   1.929
  174   2HB   LYS  23          HB1       LYS  23  -9.812   0.347   0.324
  175   1HG   LYS  23          HG2       LYS  23 -11.774  -0.672   2.260
  176   2HG   LYS  23          HG1       LYS  23 -11.921   1.058   1.952
  177   1HD   LYS  23          HD2       LYS  23 -12.680   0.728  -0.157
  178   2HD   LYS  23          HD1       LYS  23 -11.475  -0.518  -0.484
  179   1HE   LYS  23          HE2       LYS  23 -13.507  -1.383   1.456
  180   2HE   LYS  23          HE1       LYS  23 -14.178  -1.000  -0.142
  181   1HZ   LYS  23          HZ1       LYS  23 -11.650  -2.482   0.009
  182   2HZ   LYS  23          HZ2       LYS  23 -12.868  -2.543  -1.175
  183   3HZ   LYS  23          HZ3       LYS  23 -13.089  -3.324   0.317
  184    H    ALA  24           HN       ALA  24  -8.946  -3.192   0.535
  185    HA   ALA  24           HA       ALA  24  -6.099  -2.719   0.017
  186   1HB   ALA  24          HB1       ALA  24  -6.858  -4.852  -1.517
  187   2HB   ALA  24          HB2       ALA  24  -8.142  -4.836  -0.307
  188   3HB   ALA  24          HB3       ALA  24  -6.457  -4.970   0.196
  189    H    ALA  25           HN       ALA  25  -6.370  -0.663  -1.228
  190    HA   ALA  25           HA       ALA  25  -6.866  -1.239  -4.107
  191   1HB   ALA  25          HB1       ALA  25  -8.918  -0.287  -3.810
  192   2HB   ALA  25          HB2       ALA  25  -8.021   1.232  -3.784
  193   3HB   ALA  25          HB3       ALA  25  -8.456   0.437  -2.270
  194    H    GLY  26           HN       GLY  26  -4.573  -0.960  -4.407
  195   1HA   GLY  26          HA2       GLY  26  -3.657   1.602  -5.082
  196   2HA   GLY  26          HA1       GLY  26  -3.143   1.336  -3.418
  197    H    LYS  27           HN       LYS  27  -0.918   1.397  -4.279
  198    HA   LYS  27           HA       LYS  27  -0.046  -1.311  -5.166
  199   1HB   LYS  27          HB2       LYS  27   0.190   1.291  -6.645
  200   2HB   LYS  27          HB1       LYS  27   1.479   0.101  -6.812
  201   1HG   LYS  27          HG2       LYS  27   0.131  -1.418  -7.907
  202   2HG   LYS  27          HG1       LYS  27  -1.334  -0.860  -7.101
  203   1HD   LYS  27          HD2       LYS  27   0.140   0.880  -9.078
  204   2HD   LYS  27          HD1       LYS  27  -1.085  -0.280  -9.597
  205   1HE   LYS  27          HE2       LYS  27  -2.684   1.237  -9.080
  206   2HE   LYS  27          HE1       LYS  27  -2.169   1.166  -7.383
  207   1HZ   LYS  27          HZ1       LYS  27  -0.758   2.752  -9.457
  208   2HZ   LYS  27          HZ2       LYS  27  -0.504   2.790  -7.777
  209   3HZ   LYS  27          HZ3       LYS  27  -1.943   3.406  -8.436
  210    H    CYS  28           HN       CYS  28   2.659  -0.675  -5.571
  211    HA   CYS  28           HA       CYS  28   3.478   0.737  -3.064
  212   1HB   CYS  28          HB2       CYS  28   3.272  -1.980  -3.258
  213   2HB   CYS  28          HB1       CYS  28   4.950  -1.734  -3.746
  214    H    MET  29           HN       MET  29   5.102   2.144  -3.495
  215    HA   MET  29           HA       MET  29   7.035   1.537  -5.686
  216   1HB   MET  29          HB2       MET  29   5.036   2.980  -6.401
  217   2HB   MET  29          HB1       MET  29   5.680   4.221  -5.326
  218   1HG   MET  29          HG2       MET  29   7.642   4.483  -6.600
  219   2HG   MET  29          HG1       MET  29   7.437   2.926  -7.404
  220   1HE   MET  29          HE1       MET  29   5.184   3.067  -9.995
  221   2HE   MET  29          HE2       MET  29   4.058   3.280  -8.657
  222   3HE   MET  29          HE3       MET  29   5.489   2.277  -8.442
  223    H    ASN  30           HN       ASN  30   8.965   3.055  -5.514
  224    HA   ASN  30           HA       ASN  30  10.730   3.878  -4.159
  225   1HB   ASN  30          HB2       ASN  30   8.189   5.253  -3.565
  226   2HB   ASN  30          HB1       ASN  30   9.404   5.423  -2.298
  227   1HD2  ASN  30          HD21      ASN  30   8.378   7.373  -4.473
  228   2HD2  ASN  30          HD22      ASN  30   9.800   7.942  -5.204
  229    H    GLY  31           HN       GLY  31   9.142   1.368  -3.278
  230   1HA   GLY  31          HA2       GLY  31   9.431  -0.160  -1.506
  231   2HA   GLY  31          HA1       GLY  31  10.525   1.001  -0.749
  232    H    LYS  32           HN       LYS  32   7.202   1.703  -1.723
  233    HA   LYS  32           HA       LYS  32   6.305   1.614   1.111
  234   1HB   LYS  32          HB2       LYS  32   6.312   4.078  -0.663
  235   2HB   LYS  32          HB1       LYS  32   5.605   3.993   0.951
  236   1HG   LYS  32          HG2       LYS  32   7.852   3.351   1.849
  237   2HG   LYS  32          HG1       LYS  32   8.526   3.599   0.239
  238   1HD   LYS  32          HD2       LYS  32   8.026   5.928   0.276
  239   2HD   LYS  32          HD1       LYS  32   6.977   5.754   1.683
  240   1HE   LYS  32          HE2       LYS  32   8.913   6.536   2.721
  241   2HE   LYS  32          HE1       LYS  32   9.234   4.792   2.771
  242   1HZ   LYS  32          HZ1       LYS  32  10.697   4.906   1.058
  243   2HZ   LYS  32          HZ2       LYS  32  10.914   6.485   1.647
  244   3HZ   LYS  32          HZ3       LYS  32   9.907   6.206   0.308
  245    H    CYS  33           HN       CYS  33   4.037   1.404   1.292
  246    HA   CYS  33           HA       CYS  33   2.630   0.512  -1.129
  247   1HB   CYS  33          HB2       CYS  33   2.236  -0.799   0.772
  248   2HB   CYS  33          HB1       CYS  33   2.191   0.596   1.843
  249    H    LYS  34           HN       LYS  34   0.998   1.641  -2.181
  250    HA   LYS  34           HA       LYS  34   0.382   4.400  -1.175
  251   1HB   LYS  34          HB2       LYS  34   0.264   3.300  -3.999
  252   2HB   LYS  34          HB1       LYS  34   0.189   4.993  -3.516
  253   1HG   LYS  34          HG2       LYS  34   2.438   5.155  -3.387
  254   2HG   LYS  34          HG1       LYS  34   2.567   3.651  -2.475
  255   1HD   LYS  34          HD2       LYS  34   3.629   3.009  -4.427
  256   2HD   LYS  34          HD1       LYS  34   1.968   2.581  -4.840
  257   1HE   LYS  34          HE2       LYS  34   2.408   5.372  -5.444
  258   2HE   LYS  34          HE1       LYS  34   3.648   4.381  -6.237
  259   1HZ   LYS  34          HZ1       LYS  34   1.877   2.879  -6.985
  260   2HZ   LYS  34          HZ2       LYS  34   1.670   4.448  -7.602
  261   3HZ   LYS  34          HZ3       LYS  34   0.713   3.909  -6.306
  262    H    CYS  35           HN       CYS  35  -1.839   5.060  -1.276
  263    HA   CYS  35           HA       CYS  35  -3.829   2.990  -2.099
  264   1HB   CYS  35          HB2       CYS  35  -3.535   4.360   0.587
  265   2HB   CYS  35          HB1       CYS  35  -5.006   3.515   0.101
  266    H    TYR  36           HN       TYR  36  -5.829   3.891  -2.772
  267    HA   TYR  36           HA       TYR  36  -5.933   6.890  -2.880
  268   1HB   TYR  36          HB2       TYR  36  -6.763   4.776  -4.891
  269   2HB   TYR  36          HB1       TYR  36  -7.085   6.499  -5.082
  270    HD1  TYR  36           HD1      TYR  36  -4.526   7.572  -3.871
  271    HD2  TYR  36           HD2      TYR  36  -5.229   4.406  -6.690
  272    HE1  TYR  36           HE1      TYR  36  -2.254   7.898  -4.802
  273    HE2  TYR  36           HE2      TYR  36  -2.955   4.734  -7.621
  274    HH   TYR  36           HH       TYR  36  -0.935   5.710  -7.238
  275    HA   PRO  37           HA       PRO  37  -9.617   5.720  -0.461
  276   1HB   PRO  37          HB2       PRO  37 -10.050   8.540  -0.086
  277   2HB   PRO  37          HB1       PRO  37  -9.469   7.362   1.095
  278   1HG   PRO  37          HG2       PRO  37  -7.973   9.440  -0.197
  279   2HG   PRO  37          HG1       PRO  37  -7.394   8.255   0.976
  280   1HD   PRO  37          HD2       PRO  37  -6.828   8.367  -1.851
  281   2HD   PRO  37          HD1       PRO  37  -6.248   7.171  -0.668
  Start of MODEL   22
    1   1H    VAL   1          HT1       VAL   1   0.004  10.634   2.199
    2   2H    VAL   1          HT2       VAL   1  -1.324  10.946   1.186
    3   3H    VAL   1          HT3       VAL   1  -0.182   9.766   0.754
    4    HA   VAL   1           HA       VAL   1  -1.556   9.421   3.318
    5    HB   VAL   1           HB       VAL   1  -3.318  10.180   1.804
    6   1HG1  VAL   1          HG11      VAL   1  -2.305   9.870  -0.343
    7   2HG1  VAL   1          HG12      VAL   1  -3.707   8.801  -0.307
    8   3HG1  VAL   1          HG13      VAL   1  -2.089   8.142  -0.065
    9   1HG2  VAL   1          HG21      VAL   1  -3.854   7.313   1.510
   10   2HG2  VAL   1          HG22      VAL   1  -4.718   8.523   2.460
   11   3HG2  VAL   1          HG23      VAL   1  -3.284   7.739   3.124
   12    H    PHE   2           HN       PHE   2   0.973   8.504   2.471
   13    HA   PHE   2           HA       PHE   2   0.429   5.644   1.736
   14   1HB   PHE   2          HB2       PHE   2   2.921   7.344   1.387
   15   2HB   PHE   2          HB1       PHE   2   2.710   5.691   0.810
   16    HD1  PHE   2           HD1      PHE   2  -0.350   6.251   0.153
   17    HD2  PHE   2           HD2      PHE   2   3.352   8.150  -0.914
   18    HE1  PHE   2           HE1      PHE   2  -1.388   7.103  -1.929
   19    HE2  PHE   2           HE2      PHE   2   2.312   9.004  -2.997
   20    HZ   PHE   2           HZ       PHE   2  -0.059   8.481  -3.505
   21    H    ILE   3           HN       ILE   3   1.947   4.076   2.764
   22    HA   ILE   3           HA       ILE   3   2.683   4.944   5.537
   23    HB   ILE   3           HB       ILE   3   2.541   2.378   5.880
   24   1HG1  ILE   3          HG12      ILE   3   0.800   2.454   3.432
   25   2HG1  ILE   3          HG11      ILE   3   2.528   2.147   3.257
   26   1HG2  ILE   3          HG21      ILE   3  -0.136   2.664   5.516
   27   2HG2  ILE   3          HG22      ILE   3   0.368   4.353   5.471
   28   3HG2  ILE   3          HG23      ILE   3   0.736   3.359   6.880
   29   1HD1  ILE   3          HD11      ILE   3   0.493   0.308   4.038
   30   2HD1  ILE   3          HD12      ILE   3   1.550   0.555   5.428
   31   3HD1  ILE   3          HD13      ILE   3   2.226   0.011   3.893
   32    H    ASN   4           HN       ASN   4   4.729   4.159   6.376
   33    HA   ASN   4           HA       ASN   4   6.751   3.707   4.236
   34   1HB   ASN   4          HB2       ASN   4   8.305   4.399   6.072
   35   2HB   ASN   4          HB1       ASN   4   7.043   5.594   5.764
   36   1HD2  ASN   4          HD21      ASN   4   8.428   5.315   8.318
   37   2HD2  ASN   4          HD22      ASN   4   7.268   4.858   9.470
   38    H    ALA   5           HN       ALA   5   5.393   1.384   4.562
   39    HA   ALA   5           HA       ALA   5   6.758  -0.269   6.618
   40   1HB   ALA   5          HB1       ALA   5   4.885  -1.558   6.426
   41   2HB   ALA   5          HB2       ALA   5   4.940  -1.524   4.664
   42   3HB   ALA   5          HB3       ALA   5   4.217  -0.181   5.548
   43    H    LYS   6           HN       LYS   6   7.854   0.897   3.881
   44    HA   LYS   6           HA       LYS   6   9.268   0.130   2.142
   45   1HB   LYS   6          HB2       LYS   6   9.819  -1.374   4.659
   46   2HB   LYS   6          HB1       LYS   6  10.615  -1.948   3.193
   47   1HG   LYS   6          HG2       LYS   6  10.693   0.919   4.179
   48   2HG   LYS   6          HG1       LYS   6  11.981  -0.261   4.428
   49   1HD   LYS   6          HD2       LYS   6  11.557  -0.487   1.731
   50   2HD   LYS   6          HD1       LYS   6  11.244   1.229   1.991
   51   1HE   LYS   6          HE2       LYS   6  13.670   0.709   1.501
   52   2HE   LYS   6          HE1       LYS   6  13.428   1.505   3.069
   53   1HZ   LYS   6          HZ1       LYS   6  13.889  -0.373   4.202
   54   2HZ   LYS   6          HZ2       LYS   6  14.726  -0.809   2.791
   55   3HZ   LYS   6          HZ3       LYS   6  13.151  -1.385   3.059
   56    H    CYS   7           HN       CYS   7   7.462  -0.621   0.768
   57    HA   CYS   7           HA       CYS   7   6.411  -3.308   0.950
   58   1HB   CYS   7          HB2       CYS   7   5.586  -2.726  -1.357
   59   2HB   CYS   7          HB1       CYS   7   5.227  -1.486  -0.156
   60    H    ARG   8           HN       ARG   8   6.703  -4.437  -1.545
   61    HA   ARG   8           HA       ARG   8   9.649  -4.664  -2.008
   62   1HB   ARG   8          HB2       ARG   8   7.655  -6.786  -1.215
   63   2HB   ARG   8          HB1       ARG   8   9.142  -7.211  -2.062
   64   1HG   ARG   8          HG2       ARG   8   9.442  -5.384   0.261
   65   2HG   ARG   8          HG1       ARG   8   8.985  -7.047   0.634
   66   1HD   ARG   8          HD2       ARG   8  11.010  -7.891  -0.041
   67   2HD   ARG   8          HD1       ARG   8  11.171  -6.717  -1.361
   68    HE   ARG   8           HE       ARG   8  12.096  -5.144   0.184
   69   1HH1  ARG   8          HH11      ARG   8  13.030  -7.919   1.323
   70   2HH1  ARG   8          HH12      ARG   8  12.821  -7.616   3.017
   71   1HH2  ARG   8          HH21      ARG   8  10.900  -4.768   2.540
   72   2HH2  ARG   8          HH22      ARG   8  11.615  -5.833   3.706
   73    H    GLY   9           HN       GLY   9   6.346  -5.335  -3.148
   74   1HA   GLY   9          HA2       GLY   9   7.399  -5.185  -5.931
   75   2HA   GLY   9          HA1       GLY   9   6.353  -6.531  -5.484
   76    H    SER  10           HN       SER  10   4.229  -5.701  -4.319
   77    HA   SER  10           HA       SER  10   3.139  -3.140  -4.767
   78   1HB   SER  10          HB2       SER  10   3.647  -4.637  -7.158
   79   2HB   SER  10          HB1       SER  10   1.905  -4.459  -6.977
   80    HG   SER  10           HG       SER  10   3.620  -2.665  -7.822
   81    HA   PRO  11           HA       PRO  11  -0.544  -6.331  -4.700
   82   1HB   PRO  11          HB2       PRO  11   0.634  -8.918  -4.242
   83   2HB   PRO  11          HB1       PRO  11  -0.344  -8.390  -5.614
   84   1HG   PRO  11          HG2       PRO  11   2.490  -8.896  -5.545
   85   2HG   PRO  11          HG1       PRO  11   1.499  -8.421  -6.927
   86   1HD   PRO  11          HD2       PRO  11   3.428  -6.825  -5.546
   87   2HD   PRO  11          HD1       PRO  11   2.348  -6.310  -6.863
   88    H    GLU  12           HN       GLU  12   2.426  -6.724  -2.840
   89    HA   GLU  12           HA       GLU  12   1.334  -7.814  -0.439
   90   1HB   GLU  12          HB2       GLU  12   3.718  -6.216  -1.277
   91   2HB   GLU  12          HB1       GLU  12   3.386  -6.337   0.452
   92   1HG   GLU  12          HG2       GLU  12   3.971  -8.527   0.530
   93   2HG   GLU  12          HG1       GLU  12   3.139  -8.893  -0.982
   94    H    CYS  13           HN       CYS  13   1.147  -4.618  -1.829
   95    HA   CYS  13           HA       CYS  13   0.537  -3.154   0.585
   96   1HB   CYS  13          HB2       CYS  13   1.124  -2.572  -2.015
   97   2HB   CYS  13          HB1       CYS  13  -0.618  -2.299  -2.011
   98    H    LEU  14           HN       LEU  14  -1.388  -5.045  -1.697
   99    HA   LEU  14           HA       LEU  14  -3.983  -4.146  -1.087
  100   1HB   LEU  14          HB2       LEU  14  -2.659  -6.439  -2.266
  101   2HB   LEU  14          HB1       LEU  14  -4.084  -6.949  -1.361
  102    HG   LEU  14           HG       LEU  14  -4.541  -6.341  -3.773
  103   1HD1  LEU  14          HD11      LEU  14  -6.261  -4.396  -2.740
  104   2HD1  LEU  14          HD12      LEU  14  -5.903  -5.436  -1.361
  105   3HD1  LEU  14          HD13      LEU  14  -6.582  -6.128  -2.834
  106   1HD2  LEU  14          HD21      LEU  14  -3.028  -4.050  -3.008
  107   2HD2  LEU  14          HD22      LEU  14  -4.665  -3.501  -3.366
  108   3HD2  LEU  14          HD23      LEU  14  -3.749  -4.393  -4.581
  109    HA   PRO  15           HA       PRO  15  -4.163  -7.392   2.529
  110   1HB   PRO  15          HB2       PRO  15  -1.444  -7.958   3.278
  111   2HB   PRO  15          HB1       PRO  15  -2.658  -9.087   2.669
  112   1HG   PRO  15          HG2       PRO  15  -0.341  -8.059   1.300
  113   2HG   PRO  15          HG1       PRO  15  -1.524  -9.235   0.718
  114   1HD   PRO  15          HD2       PRO  15  -1.195  -6.526  -0.160
  115   2HD   PRO  15          HD1       PRO  15  -2.452  -7.682  -0.658
  116    H    LYS  16           HN       LYS  16  -1.071  -5.569   2.587
  117    HA   LYS  16           HA       LYS  16  -1.263  -4.627   5.268
  118   1HB   LYS  16          HB2       LYS  16   0.178  -3.946   2.751
  119   2HB   LYS  16          HB1       LYS  16   0.178  -2.716   4.016
  120   1HG   LYS  16          HG2       LYS  16   1.500  -3.956   5.402
  121   2HG   LYS  16          HG1       LYS  16   0.722  -5.472   4.946
  122   1HD   LYS  16          HD2       LYS  16   1.918  -5.157   2.666
  123   2HD   LYS  16          HD1       LYS  16   2.930  -3.994   3.524
  124   1HE   LYS  16          HE2       LYS  16   3.826  -5.640   4.955
  125   2HE   LYS  16          HE1       LYS  16   2.491  -6.767   4.642
  126   1HZ   LYS  16          HZ1       LYS  16   3.209  -6.774   2.275
  127   2HZ   LYS  16          HZ2       LYS  16   4.343  -7.467   3.335
  128   3HZ   LYS  16          HZ3       LYS  16   4.590  -5.900   2.729
  129    H    CYS  17           HN       CYS  17  -2.277  -3.068   2.202
  130    HA   CYS  17           HA       CYS  17  -3.283  -0.658   3.369
  131   1HB   CYS  17          HB2       CYS  17  -2.779  -1.326   0.921
  132   2HB   CYS  17          HB1       CYS  17  -4.391  -2.044   0.922
  133    H    LYS  18           HN       LYS  18  -4.916  -3.737   2.563
  134    HA   LYS  18           HA       LYS  18  -7.560  -3.006   3.298
  135   1HB   LYS  18          HB2       LYS  18  -6.662  -5.081   2.110
  136   2HB   LYS  18          HB1       LYS  18  -6.228  -5.698   3.704
  137   1HG   LYS  18          HG2       LYS  18  -8.766  -5.026   4.227
  138   2HG   LYS  18          HG1       LYS  18  -8.925  -5.307   2.492
  139   1HD   LYS  18          HD2       LYS  18  -7.751  -7.267   4.486
  140   2HD   LYS  18          HD1       LYS  18  -9.357  -7.378   3.769
  141   1HE   LYS  18          HE2       LYS  18  -8.422  -7.669   1.549
  142   2HE   LYS  18          HE1       LYS  18  -6.784  -7.350   2.153
  143   1HZ   LYS  18          HZ1       LYS  18  -7.275  -9.224   3.792
  144   2HZ   LYS  18          HZ2       LYS  18  -6.950  -9.665   2.183
  145   3HZ   LYS  18          HZ3       LYS  18  -8.549  -9.645   2.754
  146    H    GLU  19           HN       GLU  19  -4.777  -3.885   5.266
  147    HA   GLU  19           HA       GLU  19  -6.487  -3.892   7.718
  148   1HB   GLU  19          HB2       GLU  19  -4.759  -5.724   6.952
  149   2HB   GLU  19          HB1       GLU  19  -3.566  -4.595   7.595
  150   1HG   GLU  19          HG2       GLU  19  -5.028  -4.527   9.714
  151   2HG   GLU  19          HG1       GLU  19  -5.823  -5.962   9.062
  152    H    ALA  20           HN       ALA  20  -4.751  -1.724   5.922
  153    HA   ALA  20           HA       ALA  20  -3.720  -0.255   8.323
  154   1HB   ALA  20          HB1       ALA  20  -2.418   0.957   6.456
  155   2HB   ALA  20          HB2       ALA  20  -3.007  -0.315   5.384
  156   3HB   ALA  20          HB3       ALA  20  -1.983  -0.725   6.760
  157    H    ILE  21           HN       ILE  21  -4.994   0.565   5.071
  158    HA   ILE  21           HA       ILE  21  -6.208   3.031   6.164
  159    HB   ILE  21           HB       ILE  21  -4.880   2.764   3.985
  160   1HG1  ILE  21          HG12      ILE  21  -7.670   3.949   3.988
  161   2HG1  ILE  21          HG11      ILE  21  -6.157   4.779   4.356
  162   1HG2  ILE  21          HG21      ILE  21  -7.508   1.526   3.113
  163   2HG2  ILE  21          HG22      ILE  21  -5.972   0.672   3.255
  164   3HG2  ILE  21          HG23      ILE  21  -6.166   1.944   2.048
  165   1HD1  ILE  21          HD11      ILE  21  -7.022   5.210   2.026
  166   2HD1  ILE  21          HD12      ILE  21  -6.759   3.502   1.676
  167   3HD1  ILE  21          HD13      ILE  21  -5.391   4.539   2.076
  168    H    GLY  22           HN       GLY  22  -7.215  -0.036   4.655
  169   1HA   GLY  22          HA2       GLY  22  -9.302  -1.101   5.439
  170   2HA   GLY  22          HA1       GLY  22  -9.989   0.516   5.621
  171    H    LYS  23           HN       LYS  23  -8.002  -0.262   2.875
  172    HA   LYS  23           HA       LYS  23 -10.374  -0.685   1.133
  173   1HB   LYS  23          HB2       LYS  23  -8.897   1.784   1.514
  174   2HB   LYS  23          HB1       LYS  23  -8.768   1.241  -0.160
  175   1HG   LYS  23          HG2       LYS  23 -11.476   0.898   0.821
  176   2HG   LYS  23          HG1       LYS  23 -10.949   2.572   1.007
  177   1HD   LYS  23          HD2       LYS  23 -11.681   2.667  -1.177
  178   2HD   LYS  23          HD1       LYS  23 -10.017   2.152  -1.463
  179   1HE   LYS  23          HE2       LYS  23 -10.653   0.060  -2.147
  180   2HE   LYS  23          HE1       LYS  23 -11.951  -0.042  -0.941
  181   1HZ   LYS  23          HZ1       LYS  23 -12.358   0.461  -3.553
  182   2HZ   LYS  23          HZ2       LYS  23 -12.299   2.036  -2.920
  183   3HZ   LYS  23          HZ3       LYS  23 -13.423   0.917  -2.314
  184    H    ALA  24           HN       ALA  24  -9.837  -2.258  -0.326
  185    HA   ALA  24           HA       ALA  24  -7.119  -3.277  -0.510
  186   1HB   ALA  24          HB1       ALA  24  -9.622  -4.284  -0.799
  187   2HB   ALA  24          HB2       ALA  24  -8.188  -5.068  -1.462
  188   3HB   ALA  24          HB3       ALA  24  -9.190  -4.048  -2.493
  189    H    ALA  25           HN       ALA  25  -6.929  -0.628  -1.325
  190    HA   ALA  25           HA       ALA  25  -6.362  -0.944  -4.245
  191   1HB   ALA  25          HB1       ALA  25  -8.357   0.290  -4.288
  192   2HB   ALA  25          HB2       ALA  25  -7.144   1.572  -4.266
  193   3HB   ALA  25          HB3       ALA  25  -7.982   1.125  -2.780
  194    H    GLY  26           HN       GLY  26  -4.136  -0.789  -4.272
  195   1HA   GLY  26          HA2       GLY  26  -2.797   1.638  -3.631
  196   2HA   GLY  26          HA1       GLY  26  -2.563   0.512  -2.292
  197    H    LYS  27           HN       LYS  27  -0.301   1.215  -3.563
  198    HA   LYS  27           HA       LYS  27   0.480  -1.302  -4.934
  199   1HB   LYS  27          HB2       LYS  27   0.754   1.495  -6.083
  200   2HB   LYS  27          HB1       LYS  27   1.490   0.053  -6.783
  201   1HG   LYS  27          HG2       LYS  27  -0.882  -0.942  -6.801
  202   2HG   LYS  27          HG1       LYS  27  -1.446   0.705  -6.518
  203   1HD   LYS  27          HD2       LYS  27   0.138  -0.328  -8.879
  204   2HD   LYS  27          HD1       LYS  27  -1.467   0.403  -8.891
  205   1HE   LYS  27          HE2       LYS  27   1.069   1.857  -8.052
  206   2HE   LYS  27          HE1       LYS  27   0.289   2.016  -9.637
  207   1HZ   LYS  27          HZ1       LYS  27  -1.130   3.452  -8.743
  208   2HZ   LYS  27          HZ2       LYS  27  -0.427   3.258  -7.210
  209   3HZ   LYS  27          HZ3       LYS  27  -1.701   2.246  -7.697
  210    H    CYS  28           HN       CYS  28   3.030  -0.786  -5.597
  211    HA   CYS  28           HA       CYS  28   4.282   0.333  -3.107
  212   1HB   CYS  28          HB2       CYS  28   4.514  -2.026  -3.032
  213   2HB   CYS  28          HB1       CYS  28   4.809  -2.137  -4.766
  214    H    MET  29           HN       MET  29   5.534   2.092  -3.578
  215    HA   MET  29           HA       MET  29   7.136   2.106  -6.086
  216   1HB   MET  29          HB2       MET  29   4.753   3.213  -6.208
  217   2HB   MET  29          HB1       MET  29   5.519   4.520  -5.304
  218   1HG   MET  29          HG2       MET  29   7.142   3.593  -7.563
  219   2HG   MET  29          HG1       MET  29   5.574   4.234  -8.058
  220   1HE   MET  29          HE1       MET  29   5.007   6.126  -8.429
  221   2HE   MET  29          HE2       MET  29   5.853   7.660  -8.249
  222   3HE   MET  29          HE3       MET  29   4.825   7.072  -6.945
  223    H    ASN  30           HN       ASN  30   9.131   3.070  -5.741
  224    HA   ASN  30           HA       ASN  30  10.867   4.218  -4.616
  225   1HB   ASN  30          HB2       ASN  30   8.597   5.771  -4.518
  226   2HB   ASN  30          HB1       ASN  30   9.013   5.631  -2.810
  227   1HD2  ASN  30          HD21      ASN  30  10.278   6.701  -5.971
  228   2HD2  ASN  30          HD22      ASN  30  11.505   7.685  -5.332
  229    H    GLY  31           HN       GLY  31   9.064   1.876  -3.336
  230   1HA   GLY  31          HA2       GLY  31   9.711   0.439  -1.537
  231   2HA   GLY  31          HA1       GLY  31  10.717   1.738  -0.894
  232    H    LYS  32           HN       LYS  32   7.472   2.494  -1.845
  233    HA   LYS  32           HA       LYS  32   6.664   2.567   1.046
  234   1HB   LYS  32          HB2       LYS  32   6.030   4.512  -1.201
  235   2HB   LYS  32          HB1       LYS  32   5.531   4.682   0.482
  236   1HG   LYS  32          HG2       LYS  32   8.202   4.344   0.814
  237   2HG   LYS  32          HG1       LYS  32   8.186   5.141  -0.759
  238   1HD   LYS  32          HD2       LYS  32   6.988   7.025   0.106
  239   2HD   LYS  32          HD1       LYS  32   6.638   6.191   1.619
  240   1HE   LYS  32          HE2       LYS  32   9.273   6.044   1.807
  241   2HE   LYS  32          HE1       LYS  32   9.214   7.432   0.701
  242   1HZ   LYS  32          HZ1       LYS  32   8.246   7.207   3.443
  243   2HZ   LYS  32          HZ2       LYS  32   7.270   8.089   2.368
  244   3HZ   LYS  32          HZ3       LYS  32   8.886   8.551   2.629
  245    H    CYS  33           HN       CYS  33   4.276   2.462   1.341
  246    HA   CYS  33           HA       CYS  33   2.989   0.773  -0.779
  247   1HB   CYS  33          HB2       CYS  33   3.443   0.383   1.923
  248   2HB   CYS  33          HB1       CYS  33   1.783   0.969   1.902
  249    H    LYS  34           HN       LYS  34   1.799   2.219  -2.057
  250    HA   LYS  34           HA       LYS  34   0.493   4.556  -0.816
  251   1HB   LYS  34          HB2       LYS  34   0.645   3.487  -3.651
  252   2HB   LYS  34          HB1       LYS  34  -0.040   5.050  -3.204
  253   1HG   LYS  34          HG2       LYS  34   2.024   5.954  -2.653
  254   2HG   LYS  34          HG1       LYS  34   2.727   4.382  -2.271
  255   1HD   LYS  34          HD2       LYS  34   3.738   4.678  -4.305
  256   2HD   LYS  34          HD1       LYS  34   2.219   4.006  -4.894
  257   1HE   LYS  34          HE2       LYS  34   2.258   6.951  -4.423
  258   2HE   LYS  34          HE1       LYS  34   3.188   6.353  -5.810
  259   1HZ   LYS  34          HZ1       LYS  34   1.208   6.279  -6.832
  260   2HZ   LYS  34          HZ2       LYS  34   0.331   6.351  -5.379
  261   3HZ   LYS  34          HZ3       LYS  34   0.943   4.867  -5.931
  262    H    CYS  35           HN       CYS  35  -1.787   4.930  -0.922
  263    HA   CYS  35           HA       CYS  35  -3.526   2.624  -1.664
  264   1HB   CYS  35          HB2       CYS  35  -3.161   3.922   1.034
  265   2HB   CYS  35          HB1       CYS  35  -4.686   3.140   0.621
  266    H    TYR  36           HN       TYR  36  -5.443   3.347  -2.586
  267    HA   TYR  36           HA       TYR  36  -5.830   6.291  -2.784
  268   1HB   TYR  36          HB2       TYR  36  -6.515   3.836  -4.322
  269   2HB   TYR  36          HB1       TYR  36  -7.650   5.180  -4.446
  270    HD1  TYR  36           HD1      TYR  36  -7.200   5.876  -6.695
  271    HD2  TYR  36           HD2      TYR  36  -3.996   5.484  -3.863
  272    HE1  TYR  36           HE1      TYR  36  -5.668   7.027  -8.270
  273    HE2  TYR  36           HE2      TYR  36  -2.463   6.634  -5.437
  274    HH   TYR  36           HH       TYR  36  -2.856   8.383  -7.435
  275    HA   PRO  37           HA       PRO  37  -9.257   6.450  -0.025
  276   1HB   PRO  37          HB2       PRO  37 -10.836   8.094  -1.780
  277   2HB   PRO  37          HB1       PRO  37  -9.874   8.601  -0.387
  278   1HG   PRO  37          HG2       PRO  37  -9.313   9.040  -3.169
  279   2HG   PRO  37          HG1       PRO  37  -8.358   9.549  -1.774
  280   1HD   PRO  37          HD2       PRO  37  -7.731   7.480  -3.678
  281   2HD   PRO  37          HD1       PRO  37  -6.783   7.974  -2.255
  Start of MODEL   23
    1   1H    VAL   1          HT1       VAL   1  -4.526   6.691   2.439
    2   2H    VAL   1          HT2       VAL   1  -3.391   5.455   2.704
    3   3H    VAL   1          HT3       VAL   1  -3.839   5.876   1.120
    4    HA   VAL   1           HA       VAL   1  -2.738   7.966   1.253
    5    HB   VAL   1           HB       VAL   1  -1.634   8.419   3.575
    6   1HG1  VAL   1          HG11      VAL   1  -4.657   8.495   3.389
    7   2HG1  VAL   1          HG12      VAL   1  -3.596   9.627   2.551
    8   3HG1  VAL   1          HG13      VAL   1  -3.618   9.580   4.314
    9   1HG2  VAL   1          HG21      VAL   1  -3.858   6.534   4.415
   10   2HG2  VAL   1          HG22      VAL   1  -2.709   7.363   5.466
   11   3HG2  VAL   1          HG23      VAL   1  -2.155   6.080   4.392
   12    H    PHE   2           HN       PHE   2  -0.194   8.142   2.400
   13    HA   PHE   2           HA       PHE   2   1.123   5.715   1.250
   14   1HB   PHE   2          HB2       PHE   2   2.061   8.556   1.758
   15   2HB   PHE   2          HB1       PHE   2   3.051   7.295   1.028
   16    HD1  PHE   2           HD1      PHE   2   2.578   9.787  -0.440
   17    HD2  PHE   2           HD2      PHE   2   0.180   6.226  -0.243
   18    HE1  PHE   2           HE1      PHE   2   1.610  10.312  -2.659
   19    HE2  PHE   2           HE2      PHE   2  -0.785   6.753  -2.461
   20    HZ   PHE   2           HZ       PHE   2  -0.071   8.797  -3.672
   21    H    ILE   3           HN       ILE   3   2.565   4.531   2.493
   22    HA   ILE   3           HA       ILE   3   3.170   5.519   5.259
   23    HB   ILE   3           HB       ILE   3   2.753   3.056   5.906
   24   1HG1  ILE   3          HG12      ILE   3   1.430   3.158   3.177
   25   2HG1  ILE   3          HG11      ILE   3   2.766   2.111   3.655
   26   1HG2  ILE   3          HG21      ILE   3   0.100   3.828   5.141
   27   2HG2  ILE   3          HG22      ILE   3   0.998   5.279   5.588
   28   3HG2  ILE   3          HG23      ILE   3   0.857   3.943   6.730
   29   1HD1  ILE   3          HD11      ILE   3  -0.115   1.823   4.172
   30   2HD1  ILE   3          HD12      ILE   3   0.893   1.573   5.599
   31   3HD1  ILE   3          HD13      ILE   3   1.152   0.597   4.154
   32    H    ASN   4           HN       ASN   4   5.288   5.078   5.898
   33    HA   ASN   4           HA       ASN   4   7.140   4.044   3.881
   34   1HB   ASN   4          HB2       ASN   4   8.808   4.717   5.531
   35   2HB   ASN   4          HB1       ASN   4   7.563   5.963   5.445
   36   1HD2  ASN   4          HD21      ASN   4   9.379   4.357   7.676
   37   2HD2  ASN   4          HD22      ASN   4   8.303   4.356   8.989
   38    H    ALA   5           HN       ALA   5   6.031   1.835   3.870
   39    HA   ALA   5           HA       ALA   5   6.863   0.133   6.189
   40   1HB   ALA   5          HB1       ALA   5   5.046  -1.267   5.561
   41   2HB   ALA   5          HB2       ALA   5   4.974  -0.578   3.939
   42   3HB   ALA   5          HB3       ALA   5   4.436   0.371   5.326
   43    H    LYS   6           HN       LYS   6   8.344   1.098   3.557
   44    HA   LYS   6           HA       LYS   6   9.793   0.116   1.952
   45   1HB   LYS   6          HB2       LYS   6  10.727  -0.325   4.279
   46   2HB   LYS   6          HB1       LYS   6  10.028  -1.940   4.164
   47   1HG   LYS   6          HG2       LYS   6  12.326  -2.096   3.444
   48   2HG   LYS   6          HG1       LYS   6  11.311  -2.248   2.010
   49   1HD   LYS   6          HD2       LYS   6  11.760  -0.018   1.324
   50   2HD   LYS   6          HD1       LYS   6  12.420   0.418   2.901
   51   1HE   LYS   6          HE2       LYS   6  14.339   0.104   1.517
   52   2HE   LYS   6          HE1       LYS   6  14.208  -1.413   2.427
   53   1HZ   LYS   6          HZ1       LYS   6  13.143  -2.470   0.646
   54   2HZ   LYS   6          HZ2       LYS   6  14.420  -1.615  -0.080
   55   3HZ   LYS   6          HZ3       LYS   6  12.834  -1.012  -0.164
   56    H    CYS   7           HN       CYS   7   7.078  -0.621   1.485
   57    HA   CYS   7           HA       CYS   7   6.368  -3.303   1.368
   58   1HB   CYS   7          HB2       CYS   7   5.106  -2.647  -0.669
   59   2HB   CYS   7          HB1       CYS   7   4.999  -1.411   0.584
   60    H    ARG   8           HN       ARG   8   6.684  -4.983  -0.243
   61    HA   ARG   8           HA       ARG   8   9.358  -4.827  -1.556
   62   1HB   ARG   8          HB2       ARG   8   7.579  -6.927  -0.403
   63   2HB   ARG   8          HB1       ARG   8   8.626  -7.410  -1.736
   64   1HG   ARG   8          HG2       ARG   8   9.723  -5.854   0.601
   65   2HG   ARG   8          HG1       ARG   8   9.564  -7.609   0.678
   66   1HD   ARG   8          HD2       ARG   8  10.773  -7.418  -1.724
   67   2HD   ARG   8          HD1       ARG   8  11.427  -5.956  -0.959
   68    HE   ARG   8           HE       ARG   8  11.553  -8.630   0.384
   69   1HH1  ARG   8          HH11      ARG   8  13.401  -6.480  -1.382
   70   2HH1  ARG   8          HH12      ARG   8  14.672  -6.326  -0.215
   71   1HH2  ARG   8          HH21      ARG   8  12.967  -8.060   2.260
   72   2HH2  ARG   8          HH22      ARG   8  14.426  -7.222   1.848
   73    H    GLY   9           HN       GLY   9   5.923  -5.337  -2.241
   74   1HA   GLY   9          HA2       GLY   9   6.468  -4.868  -5.097
   75   2HA   GLY   9          HA1       GLY   9   5.773  -6.442  -4.709
   76    H    SER  10           HN       SER  10   4.227  -5.033  -6.302
   77    HA   SER  10           HA       SER  10   2.447  -3.135  -5.067
   78   1HB   SER  10          HB2       SER  10   1.458  -4.774  -7.313
   79   2HB   SER  10          HB1       SER  10   1.633  -3.026  -7.190
   80    HG   SER  10           HG       SER  10   3.114  -3.844  -8.680
   81    HA   PRO  11           HA       PRO  11  -0.536  -6.976  -4.795
   82   1HB   PRO  11          HB2       PRO  11   1.152  -9.273  -4.385
   83   2HB   PRO  11          HB1       PRO  11   0.012  -8.976  -5.701
   84   1HG   PRO  11          HG2       PRO  11   2.871  -8.956  -5.827
   85   2HG   PRO  11          HG1       PRO  11   1.728  -8.620  -7.131
   86   1HD   PRO  11          HD2       PRO  11   3.431  -6.760  -5.732
   87   2HD   PRO  11          HD1       PRO  11   2.306  -6.415  -7.067
   88    H    GLU  12           HN       GLU  12   2.498  -6.583  -3.105
   89    HA   GLU  12           HA       GLU  12   1.509  -7.740  -0.585
   90   1HB   GLU  12          HB2       GLU  12   3.994  -6.389  -1.609
   91   2HB   GLU  12          HB1       GLU  12   3.766  -6.580   0.130
   92   1HG   GLU  12          HG2       GLU  12   3.244  -8.974  -1.564
   93   2HG   GLU  12          HG1       GLU  12   4.928  -8.482  -1.377
   94    H    CYS  13           HN       CYS  13   1.990  -4.521  -2.013
   95    HA   CYS  13           HA       CYS  13   1.403  -3.015   0.385
   96   1HB   CYS  13          HB2       CYS  13   2.598  -2.175  -1.643
   97   2HB   CYS  13          HB1       CYS  13   1.090  -2.295  -2.551
   98    H    LEU  14           HN       LEU  14  -0.567  -4.429  -2.190
   99    HA   LEU  14           HA       LEU  14  -3.000  -3.078  -1.848
  100   1HB   LEU  14          HB2       LEU  14  -1.997  -5.600  -2.892
  101   2HB   LEU  14          HB1       LEU  14  -3.611  -5.793  -2.208
  102    HG   LEU  14           HG       LEU  14  -3.854  -3.420  -3.577
  103   1HD1  LEU  14          HD11      LEU  14  -2.904  -4.488  -5.901
  104   2HD1  LEU  14          HD12      LEU  14  -1.672  -5.031  -4.762
  105   3HD1  LEU  14          HD13      LEU  14  -2.019  -3.310  -4.930
  106   1HD2  LEU  14          HD21      LEU  14  -5.493  -4.589  -4.641
  107   2HD2  LEU  14          HD22      LEU  14  -5.022  -5.908  -3.569
  108   3HD2  LEU  14          HD23      LEU  14  -4.371  -5.826  -5.207
  109    HA   PRO  15           HA       PRO  15  -4.197  -6.252   1.639
  110   1HB   PRO  15          HB2       PRO  15  -1.727  -7.292   2.683
  111   2HB   PRO  15          HB1       PRO  15  -3.044  -8.187   1.920
  112   1HG   PRO  15          HG2       PRO  15  -0.440  -7.571   0.835
  113   2HG   PRO  15          HG1       PRO  15  -1.724  -8.551   0.118
  114   1HD   PRO  15          HD2       PRO  15  -0.862  -5.962  -0.725
  115   2HD   PRO  15          HD1       PRO  15  -2.265  -6.879  -1.329
  116    H    LYS  16           HN       LYS  16  -0.918  -4.837   1.935
  117    HA   LYS  16           HA       LYS  16  -1.007  -3.974   4.615
  118   1HB   LYS  16          HB2       LYS  16   0.170  -2.662   2.140
  119   2HB   LYS  16          HB1       LYS  16   0.628  -2.264   3.797
  120   1HG   LYS  16          HG2       LYS  16   0.733  -5.125   2.896
  121   2HG   LYS  16          HG1       LYS  16   2.036  -4.029   2.437
  122   1HD   LYS  16          HD2       LYS  16   2.328  -3.424   4.839
  123   2HD   LYS  16          HD1       LYS  16   1.097  -4.615   5.260
  124   1HE   LYS  16          HE2       LYS  16   3.602  -5.320   3.696
  125   2HE   LYS  16          HE1       LYS  16   3.472  -5.483   5.459
  126   1HZ   LYS  16          HZ1       LYS  16   1.319  -6.707   4.980
  127   2HZ   LYS  16          HZ2       LYS  16   2.758  -7.537   4.620
  128   3HZ   LYS  16          HZ3       LYS  16   1.852  -6.821   3.374
  129    H    CYS  17           HN       CYS  17  -2.277  -2.384   1.689
  130    HA   CYS  17           HA       CYS  17  -3.199   0.006   3.034
  131   1HB   CYS  17          HB2       CYS  17  -3.921  -1.388   0.438
  132   2HB   CYS  17          HB1       CYS  17  -4.517   0.212   0.878
  133    H    LYS  18           HN       LYS  18  -4.522  -3.204   2.514
  134    HA   LYS  18           HA       LYS  18  -7.281  -2.575   3.129
  135   1HB   LYS  18          HB2       LYS  18  -6.309  -4.587   1.902
  136   2HB   LYS  18          HB1       LYS  18  -5.789  -5.193   3.474
  137   1HG   LYS  18          HG2       LYS  18  -7.958  -5.594   4.194
  138   2HG   LYS  18          HG1       LYS  18  -8.647  -4.356   3.140
  139   1HD   LYS  18          HD2       LYS  18  -9.279  -6.177   1.902
  140   2HD   LYS  18          HD1       LYS  18  -7.638  -6.036   1.272
  141   1HE   LYS  18          HE2       LYS  18  -7.590  -7.523   3.751
  142   2HE   LYS  18          HE1       LYS  18  -8.738  -8.264   2.619
  143   1HZ   LYS  18          HZ1       LYS  18  -7.087  -8.222   0.900
  144   2HZ   LYS  18          HZ2       LYS  18  -6.418  -8.996   2.257
  145   3HZ   LYS  18          HZ3       LYS  18  -5.993  -7.392   1.893
  146    H    GLU  19           HN       GLU  19  -4.413  -3.104   5.032
  147    HA   GLU  19           HA       GLU  19  -5.943  -3.613   7.520
  148   1HB   GLU  19          HB2       GLU  19  -3.599  -4.539   6.597
  149   2HB   GLU  19          HB1       GLU  19  -2.999  -3.116   7.449
  150   1HG   GLU  19          HG2       GLU  19  -4.412  -3.913   9.441
  151   2HG   GLU  19          HG1       GLU  19  -4.554  -5.446   8.580
  152    H    ALA  20           HN       ALA  20  -4.293  -0.998   5.858
  153    HA   ALA  20           HA       ALA  20  -4.142   0.747   8.208
  154   1HB   ALA  20          HB1       ALA  20  -4.020   1.983   5.555
  155   2HB   ALA  20          HB2       ALA  20  -2.983   0.562   5.683
  156   3HB   ALA  20          HB3       ALA  20  -2.779   1.904   6.809
  157    H    ILE  21           HN       ILE  21  -6.175   0.576   5.266
  158    HA   ILE  21           HA       ILE  21  -8.151   2.358   6.659
  159    HB   ILE  21           HB       ILE  21  -8.713   2.952   4.192
  160   1HG1  ILE  21          HG12      ILE  21  -5.873   2.028   3.741
  161   2HG1  ILE  21          HG11      ILE  21  -7.240   0.963   3.413
  162   1HG2  ILE  21          HG21      ILE  21  -7.070   4.707   4.199
  163   2HG2  ILE  21          HG22      ILE  21  -5.975   3.757   5.204
  164   3HG2  ILE  21          HG23      ILE  21  -7.477   4.383   5.884
  165   1HD1  ILE  21          HD11      ILE  21  -6.704   2.105   1.356
  166   2HD1  ILE  21          HD12      ILE  21  -6.694   3.669   2.168
  167   3HD1  ILE  21          HD13      ILE  21  -8.210   2.790   1.966
  168    H    GLY  22           HN       GLY  22  -7.645  -0.448   4.562
  169   1HA   GLY  22          HA2       GLY  22  -9.069  -2.399   4.636
  170   2HA   GLY  22          HA1       GLY  22 -10.364  -1.394   5.286
  171    H    LYS  23           HN       LYS  23  -8.387  -0.613   2.448
  172    HA   LYS  23           HA       LYS  23 -10.868  -0.877   0.784
  173   1HB   LYS  23          HB2       LYS  23  -8.658   1.182   0.881
  174   2HB   LYS  23          HB1       LYS  23  -9.753   1.057  -0.497
  175   1HG   LYS  23          HG2       LYS  23 -11.141   1.044   2.090
  176   2HG   LYS  23          HG1       LYS  23 -10.242   2.532   1.787
  177   1HD   LYS  23          HD2       LYS  23 -11.617   3.165   0.087
  178   2HD   LYS  23          HD1       LYS  23 -11.769   1.519  -0.530
  179   1HE   LYS  23          HE2       LYS  23 -13.051   1.606   2.028
  180   2HE   LYS  23          HE1       LYS  23 -13.658   2.962   1.058
  181   1HZ   LYS  23          HZ1       LYS  23 -14.778   0.745   0.671
  182   2HZ   LYS  23          HZ2       LYS  23 -13.328   0.235  -0.051
  183   3HZ   LYS  23          HZ3       LYS  23 -14.198   1.536  -0.713
  184    H    ALA  24           HN       ALA  24  -7.685  -1.926   1.241
  185    HA   ALA  24           HA       ALA  24  -6.129  -3.041  -0.175
  186   1HB   ALA  24          HB1       ALA  24  -7.196  -4.948  -1.138
  187   2HB   ALA  24          HB2       ALA  24  -8.706  -4.068  -1.382
  188   3HB   ALA  24          HB3       ALA  24  -8.193  -4.509   0.248
  189    H    ALA  25           HN       ALA  25  -6.537  -0.446  -1.163
  190    HA   ALA  25           HA       ALA  25  -6.490  -0.938  -4.117
  191   1HB   ALA  25          HB1       ALA  25  -7.695   1.501  -2.793
  192   2HB   ALA  25          HB2       ALA  25  -8.649   0.055  -3.126
  193   3HB   ALA  25          HB3       ALA  25  -7.910   0.950  -4.454
  194    H    GLY  26           HN       GLY  26  -4.074  -0.927  -3.373
  195   1HA   GLY  26          HA2       GLY  26  -3.041   1.797  -3.844
  196   2HA   GLY  26          HA1       GLY  26  -2.557   1.042  -2.325
  197    H    LYS  27           HN       LYS  27  -0.426   1.513  -3.713
  198    HA   LYS  27           HA       LYS  27   0.329  -1.118  -4.909
  199   1HB   LYS  27          HB2       LYS  27   1.083   1.531  -6.155
  200   2HB   LYS  27          HB1       LYS  27   1.156  -0.074  -6.882
  201   1HG   LYS  27          HG2       LYS  27  -1.296  -0.216  -6.867
  202   2HG   LYS  27          HG1       LYS  27  -1.396   1.362  -6.086
  203   1HD   LYS  27          HD2       LYS  27  -0.160   2.331  -8.058
  204   2HD   LYS  27          HD1       LYS  27  -0.311   0.763  -8.851
  205   1HE   LYS  27          HE2       LYS  27  -2.348   1.434  -9.594
  206   2HE   LYS  27          HE1       LYS  27  -2.905   1.398  -7.909
  207   1HZ   LYS  27          HZ1       LYS  27  -1.765   3.631  -7.691
  208   2HZ   LYS  27          HZ2       LYS  27  -3.203   3.607  -8.596
  209   3HZ   LYS  27          HZ3       LYS  27  -1.700   3.664  -9.386
  210    H    CYS  28           HN       CYS  28   2.815  -1.136  -5.230
  211    HA   CYS  28           HA       CYS  28   4.086   0.167  -2.852
  212   1HB   CYS  28          HB2       CYS  28   4.148  -2.247  -2.842
  213   2HB   CYS  28          HB1       CYS  28   4.703  -2.292  -4.515
  214    H    MET  29           HN       MET  29   5.494   1.825  -3.287
  215    HA   MET  29           HA       MET  29   6.908   1.832  -5.928
  216   1HB   MET  29          HB2       MET  29   4.996   3.305  -6.101
  217   2HB   MET  29          HB1       MET  29   5.375   4.057  -4.551
  218   1HG   MET  29          HG2       MET  29   6.160   5.545  -6.274
  219   2HG   MET  29          HG1       MET  29   7.580   4.789  -5.551
  220   1HE   MET  29          HE1       MET  29   4.823   3.924  -8.240
  221   2HE   MET  29          HE2       MET  29   5.774   4.204  -9.697
  222   3HE   MET  29          HE3       MET  29   5.524   5.519  -8.552
  223    H    ASN  30           HN       ASN  30   9.081   2.085  -5.626
  224    HA   ASN  30           HA       ASN  30  11.132   2.582  -4.565
  225   1HB   ASN  30          HB2       ASN  30   9.368   4.803  -4.495
  226   2HB   ASN  30          HB1       ASN  30  10.169   4.751  -2.924
  227   1HD2  ASN  30          HD21      ASN  30  12.697   4.244  -3.191
  228   2HD2  ASN  30          HD22      ASN  30  13.478   5.133  -4.408
  229    H    GLY  31           HN       GLY  31   8.996   0.866  -3.152
  230   1HA   GLY  31          HA2       GLY  31   9.276  -0.445  -1.172
  231   2HA   GLY  31          HA1       GLY  31  10.419   0.756  -0.569
  232    H    LYS  32           HN       LYS  32   7.758   2.388  -1.741
  233    HA   LYS  32           HA       LYS  32   6.665   2.654   1.029
  234   1HB   LYS  32          HB2       LYS  32   7.142   4.403  -1.308
  235   2HB   LYS  32          HB1       LYS  32   5.624   4.702  -0.464
  236   1HG   LYS  32          HG2       LYS  32   7.074   6.055   0.752
  237   2HG   LYS  32          HG1       LYS  32   7.144   4.562   1.690
  238   1HD   LYS  32          HD2       LYS  32   9.051   4.318  -0.404
  239   2HD   LYS  32          HD1       LYS  32   9.279   5.910   0.322
  240   1HE   LYS  32          HE2       LYS  32   9.234   4.744   2.598
  241   2HE   LYS  32          HE1       LYS  32   9.368   3.215   1.706
  242   1HZ   LYS  32          HZ1       LYS  32  11.423   3.734   0.916
  243   2HZ   LYS  32          HZ2       LYS  32  11.500   4.585   2.385
  244   3HZ   LYS  32          HZ3       LYS  32  11.147   5.407   0.940
  245    H    CYS  33           HN       CYS  33   4.368   2.574   1.337
  246    HA   CYS  33           HA       CYS  33   2.938   0.981  -0.719
  247   1HB   CYS  33          HB2       CYS  33   3.168   0.870   2.021
  248   2HB   CYS  33          HB1       CYS  33   1.634   1.710   1.834
  249    H    LYS  34           HN       LYS  34   1.487   2.014  -2.067
  250    HA   LYS  34           HA       LYS  34   0.659   4.794  -1.354
  251   1HB   LYS  34          HB2       LYS  34   1.290   3.256  -3.802
  252   2HB   LYS  34          HB1       LYS  34  -0.055   4.385  -3.959
  253   1HG   LYS  34          HG2       LYS  34   1.348   6.146  -3.983
  254   2HG   LYS  34          HG1       LYS  34   2.113   5.611  -2.487
  255   1HD   LYS  34          HD2       LYS  34   3.947   5.217  -3.752
  256   2HD   LYS  34          HD1       LYS  34   3.076   3.803  -4.348
  257   1HE   LYS  34          HE2       LYS  34   2.911   6.569  -5.601
  258   2HE   LYS  34          HE1       LYS  34   3.904   5.234  -6.221
  259   1HZ   LYS  34          HZ1       LYS  34   2.003   4.747  -7.326
  260   2HZ   LYS  34          HZ2       LYS  34   1.002   5.532  -6.200
  261   3HZ   LYS  34          HZ3       LYS  34   1.603   3.977  -5.868
  262    H    CYS  35           HN       CYS  35  -1.062   4.030   0.110
  263    HA   CYS  35           HA       CYS  35  -3.256   2.418  -1.015
  264   1HB   CYS  35          HB2       CYS  35  -3.054   3.956   1.593
  265   2HB   CYS  35          HB1       CYS  35  -4.141   2.613   1.239
  266    H    TYR  36           HN       TYR  36  -5.361   3.249  -1.454
  267    HA   TYR  36           HA       TYR  36  -5.563   6.241  -1.598
  268   1HB   TYR  36          HB2       TYR  36  -6.055   4.036  -3.545
  269   2HB   TYR  36          HB1       TYR  36  -7.156   5.414  -3.601
  270    HD1  TYR  36           HD1      TYR  36  -6.211   7.745  -3.875
  271    HD2  TYR  36           HD2      TYR  36  -3.819   4.208  -4.348
  272    HE1  TYR  36           HE1      TYR  36  -4.491   9.069  -5.075
  273    HE2  TYR  36           HE2      TYR  36  -2.099   5.531  -5.548
  274    HH   TYR  36           HH       TYR  36  -1.568   7.514  -6.398
  275    HA   PRO  37           HA       PRO  37  -8.977   5.063   1.170
  276   1HB   PRO  37          HB2       PRO  37  -9.583   7.869   1.356
  277   2HB   PRO  37          HB1       PRO  37  -8.824   6.837   2.571
  278   1HG   PRO  37          HG2       PRO  37  -7.593   8.892   0.990
  279   2HG   PRO  37          HG1       PRO  37  -6.837   7.855   2.204
  280   1HD   PRO  37          HD2       PRO  37  -6.503   7.758  -0.660
  281   2HD   PRO  37          HD1       PRO  37  -5.752   6.703   0.563
  Start of MODEL   24
    1   1H    VAL   1          HT1       VAL   1  -2.539   9.796   3.136
    2   2H    VAL   1          HT2       VAL   1  -3.241   8.590   2.169
    3   3H    VAL   1          HT3       VAL   1  -1.561   8.841   2.132
    4    HA   VAL   1           HA       VAL   1  -1.905   8.352   4.741
    5    HB   VAL   1           HB       VAL   1  -3.949   6.771   3.144
    6   1HG1  VAL   1          HG11      VAL   1  -2.601   6.274   5.666
    7   2HG1  VAL   1          HG12      VAL   1  -3.718   5.237   4.780
    8   3HG1  VAL   1          HG13      VAL   1  -4.339   6.442   5.907
    9   1HG2  VAL   1          HG21      VAL   1  -4.336   8.785   5.383
   10   2HG2  VAL   1          HG22      VAL   1  -5.608   7.955   4.486
   11   3HG2  VAL   1          HG23      VAL   1  -4.584   9.137   3.672
   12    H    PHE   2           HN       PHE   2   0.090   8.116   2.817
   13    HA   PHE   2           HA       PHE   2   0.422   5.253   2.148
   14   1HB   PHE   2          HB2       PHE   2   2.147   7.714   1.715
   15   2HB   PHE   2          HB1       PHE   2   2.440   6.131   1.000
   16    HD1  PHE   2           HD1      PHE   2   2.262   8.111  -0.954
   17    HD2  PHE   2           HD2      PHE   2  -0.996   6.255   1.145
   18    HE1  PHE   2           HE1      PHE   2   0.733   8.675  -2.822
   19    HE2  PHE   2           HE2      PHE   2  -2.522   6.823  -0.720
   20    HZ   PHE   2           HZ       PHE   2  -1.658   8.032  -2.705
   21    H    ILE   3           HN       ILE   3   2.895   4.544   2.562
   22    HA   ILE   3           HA       ILE   3   3.962   5.471   5.145
   23    HB   ILE   3           HB       ILE   3   3.748   2.969   5.935
   24   1HG1  ILE   3          HG12      ILE   3   1.507   3.220   3.901
   25   2HG1  ILE   3          HG11      ILE   3   2.859   2.088   3.826
   26   1HG2  ILE   3          HG21      ILE   3   2.343   5.298   6.440
   27   2HG2  ILE   3          HG22      ILE   3   2.202   3.802   7.360
   28   3HG2  ILE   3          HG23      ILE   3   1.067   4.145   6.055
   29   1HD1  ILE   3          HD11      ILE   3   1.716   0.627   5.097
   30   2HD1  ILE   3          HD12      ILE   3   0.358   1.750   5.158
   31   3HD1  ILE   3          HD13      ILE   3   1.618   1.822   6.390
   32    H    ASN   4           HN       ASN   4   6.152   5.073   5.235
   33    HA   ASN   4           HA       ASN   4   7.408   3.732   2.927
   34   1HB   ASN   4          HB2       ASN   4   9.478   4.620   4.082
   35   2HB   ASN   4          HB1       ASN   4   8.280   5.856   3.694
   36   1HD2  ASN   4          HD21      ASN   4   8.121   7.302   5.407
   37   2HD2  ASN   4          HD22      ASN   4   8.149   6.878   7.051
   38    H    ALA   5           HN       ALA   5   6.316   1.620   3.867
   39    HA   ALA   5           HA       ALA   5   7.739   0.423   6.157
   40   1HB   ALA   5          HB1       ALA   5   5.398  -0.130   4.406
   41   2HB   ALA   5          HB2       ALA   5   5.545  -0.266   6.157
   42   3HB   ALA   5          HB3       ALA   5   6.188  -1.535   5.118
   43    H    LYS   6           HN       LYS   6   8.616   0.923   3.029
   44    HA   LYS   6           HA       LYS   6  10.179  -0.125   1.595
   45   1HB   LYS   6          HB2       LYS   6  10.756  -0.884   4.390
   46   2HB   LYS   6          HB1       LYS   6  11.465  -1.959   3.186
   47   1HG   LYS   6          HG2       LYS   6  11.730   0.916   2.569
   48   2HG   LYS   6          HG1       LYS   6  12.606   0.389   4.007
   49   1HD   LYS   6          HD2       LYS   6  14.043  -0.940   2.814
   50   2HD   LYS   6          HD1       LYS   6  12.818  -1.368   1.619
   51   1HE   LYS   6          HE2       LYS   6  13.957   0.074   0.255
   52   2HE   LYS   6          HE1       LYS   6  13.134   1.345   1.179
   53   1HZ   LYS   6          HZ1       LYS   6  15.182   0.551   2.802
   54   2HZ   LYS   6          HZ2       LYS   6  15.156   1.959   1.853
   55   3HZ   LYS   6          HZ3       LYS   6  15.886   0.545   1.258
   56    H    CYS   7           HN       CYS   7   7.749  -1.143   1.092
   57    HA   CYS   7           HA       CYS   7   7.350  -3.936   1.633
   58   1HB   CYS   7          HB2       CYS   7   5.601  -3.715  -0.004
   59   2HB   CYS   7          HB1       CYS   7   5.702  -2.164   0.827
   60    H    ARG   8           HN       ARG   8   7.414  -5.648  -0.135
   61    HA   ARG   8           HA       ARG   8   9.942  -5.357  -1.708
   62   1HB   ARG   8          HB2       ARG   8   8.395  -7.695  -0.562
   63   2HB   ARG   8          HB1       ARG   8   9.743  -7.911  -1.681
   64   1HG   ARG   8          HG2       ARG   8  11.280  -6.857  -0.172
   65   2HG   ARG   8          HG1       ARG   8   9.971  -6.304   0.873
   66   1HD   ARG   8          HD2       ARG   8   9.391  -8.782   1.220
   67   2HD   ARG   8          HD1       ARG   8  10.967  -9.137   0.482
   68    HE   ARG   8           HE       ARG   8  11.405  -7.123   2.417
   69   1HH1  ARG   8          HH21      ARG   8   9.270  -9.123   3.583
   70   2HH1  ARG   8          HH22      ARG   8  10.310 -10.107   4.557
   71   1HH2  ARG   8          HH11      ARG   8  13.228  -8.934   3.093
   72   2HH2  ARG   8          HH12      ARG   8  12.553 -10.000   4.281
   73    H    GLY   9           HN       GLY   9   6.553  -5.433  -2.056
   74   1HA   GLY   9          HA2       GLY   9   6.799  -5.537  -4.966
   75   2HA   GLY   9          HA1       GLY   9   5.956  -6.929  -4.289
   76    H    SER  10           HN       SER  10   4.801  -4.943  -6.023
   77    HA   SER  10           HA       SER  10   3.248  -2.976  -4.656
   78   1HB   SER  10          HB2       SER  10   2.134  -4.306  -7.057
   79   2HB   SER  10          HB1       SER  10   2.469  -2.600  -6.770
   80    HG   SER  10           HG       SER  10   3.856  -4.007  -8.287
   81    HA   PRO  11           HA       PRO  11  -0.265  -6.362  -4.745
   82   1HB   PRO  11          HB2       PRO  11   1.057  -8.872  -4.247
   83   2HB   PRO  11          HB1       PRO  11   0.067  -8.413  -5.635
   84   1HG   PRO  11          HG2       PRO  11   2.904  -8.783  -5.559
   85   2HG   PRO  11          HG1       PRO  11   1.914  -8.285  -6.933
   86   1HD   PRO  11          HD2       PRO  11   3.748  -6.687  -5.385
   87   2HD   PRO  11          HD1       PRO  11   2.781  -6.179  -6.792
   88    H    GLU  12           HN       GLU  12   2.559  -6.104  -2.801
   89    HA   GLU  12           HA       GLU  12   1.500  -7.367  -0.392
   90   1HB   GLU  12          HB2       GLU  12   3.925  -6.255  -1.375
   91   2HB   GLU  12          HB1       GLU  12   3.504  -5.340   0.075
   92   1HG   GLU  12          HG2       GLU  12   3.011  -7.743   1.065
   93   2HG   GLU  12          HG1       GLU  12   4.113  -8.262  -0.212
   94    H    CYS  13           HN       CYS  13   1.213  -4.284  -1.955
   95    HA   CYS  13           HA       CYS  13   0.462  -2.696   0.345
   96   1HB   CYS  13          HB2       CYS  13   0.515  -2.525  -2.624
   97   2HB   CYS  13          HB1       CYS  13  -0.606  -1.436  -1.809
   98    H    LEU  14           HN       LEU  14  -1.254  -4.876  -1.812
   99    HA   LEU  14           HA       LEU  14  -3.916  -3.976  -1.438
  100   1HB   LEU  14          HB2       LEU  14  -2.456  -6.395  -2.279
  101   2HB   LEU  14          HB1       LEU  14  -4.070  -6.715  -1.648
  102    HG   LEU  14           HG       LEU  14  -4.691  -4.638  -3.206
  103   1HD1  LEU  14          HD11      LEU  14  -2.415  -5.924  -4.731
  104   2HD1  LEU  14          HD12      LEU  14  -2.218  -4.425  -3.822
  105   3HD1  LEU  14          HD13      LEU  14  -3.345  -4.494  -5.177
  106   1HD2  LEU  14          HD21      LEU  14  -5.842  -6.626  -3.627
  107   2HD2  LEU  14          HD22      LEU  14  -4.360  -7.556  -3.843
  108   3HD2  LEU  14          HD23      LEU  14  -4.902  -6.455  -5.109
  109    HA   PRO  15           HA       PRO  15  -4.161  -7.044   2.335
  110   1HB   PRO  15          HB2       PRO  15  -1.464  -7.465   3.236
  111   2HB   PRO  15          HB1       PRO  15  -2.602  -8.671   2.629
  112   1HG   PRO  15          HG2       PRO  15  -0.263  -7.613   1.320
  113   2HG   PRO  15          HG1       PRO  15  -1.363  -8.869   0.746
  114   1HD   PRO  15          HD2       PRO  15  -1.100  -6.202  -0.260
  115   2HD   PRO  15          HD1       PRO  15  -2.291  -7.433  -0.749
  116    H    LYS  16           HN       LYS  16  -1.235  -4.979   2.298
  117    HA   LYS  16           HA       LYS  16  -1.463  -3.973   4.961
  118   1HB   LYS  16          HB2       LYS  16  -0.257  -2.949   2.379
  119   2HB   LYS  16          HB1       LYS  16  -0.049  -2.102   3.914
  120   1HG   LYS  16          HG2       LYS  16   0.514  -5.028   3.900
  121   2HG   LYS  16          HG1       LYS  16   1.677  -3.983   3.083
  122   1HD   LYS  16          HD2       LYS  16   0.925  -2.772   5.578
  123   2HD   LYS  16          HD1       LYS  16   1.425  -4.438   5.874
  124   1HE   LYS  16          HE2       LYS  16   3.600  -4.039   5.233
  125   2HE   LYS  16          HE1       LYS  16   3.123  -2.850   4.002
  126   1HZ   LYS  16          HZ1       LYS  16   2.453  -2.155   6.737
  127   2HZ   LYS  16          HZ2       LYS  16   3.079  -1.183   5.490
  128   3HZ   LYS  16          HZ3       LYS  16   4.114  -2.180   6.397
  129    H    CYS  17           HN       CYS  17  -2.544  -2.532   1.858
  130    HA   CYS  17           HA       CYS  17  -3.736  -0.186   2.872
  131   1HB   CYS  17          HB2       CYS  17  -4.326  -2.031   0.552
  132   2HB   CYS  17          HB1       CYS  17  -5.241  -0.543   0.793
  133    H    LYS  18           HN       LYS  18  -5.039  -3.485   2.683
  134    HA   LYS  18           HA       LYS  18  -7.737  -2.923   3.402
  135   1HB   LYS  18          HB2       LYS  18  -6.673  -5.062   2.527
  136   2HB   LYS  18          HB1       LYS  18  -6.066  -5.336   4.160
  137   1HG   LYS  18          HG2       LYS  18  -8.063  -6.502   4.270
  138   2HG   LYS  18          HG1       LYS  18  -8.599  -4.913   4.818
  139   1HD   LYS  18          HD2       LYS  18  -9.168  -4.382   2.407
  140   2HD   LYS  18          HD1       LYS  18  -8.864  -6.080   2.037
  141   1HE   LYS  18          HE2       LYS  18 -10.697  -5.490   4.326
  142   2HE   LYS  18          HE1       LYS  18 -11.320  -5.242   2.681
  143   1HZ   LYS  18          HZ1       LYS  18  -9.734  -7.641   3.112
  144   2HZ   LYS  18          HZ2       LYS  18 -11.131  -7.418   2.172
  145   3HZ   LYS  18          HZ3       LYS  18 -11.259  -7.628   3.853
  146    H    GLU  19           HN       GLU  19  -4.993  -3.932   5.476
  147    HA   GLU  19           HA       GLU  19  -6.484  -3.483   7.941
  148   1HB   GLU  19          HB2       GLU  19  -3.733  -4.268   7.072
  149   2HB   GLU  19          HB1       GLU  19  -3.928  -3.682   8.724
  150   1HG   GLU  19          HG2       GLU  19  -5.506  -5.946   7.463
  151   2HG   GLU  19          HG1       GLU  19  -4.191  -6.134   8.623
  152    H    ALA  20           HN       ALA  20  -5.076  -1.380   5.729
  153    HA   ALA  20           HA       ALA  20  -4.338   0.630   7.817
  154   1HB   ALA  20          HB1       ALA  20  -3.659   0.125   4.931
  155   2HB   ALA  20          HB2       ALA  20  -2.571   0.370   6.298
  156   3HB   ALA  20          HB3       ALA  20  -3.441   1.741   5.606
  157    H    ILE  21           HN       ILE  21  -6.167   0.335   4.750
  158    HA   ILE  21           HA       ILE  21  -7.793   2.706   5.610
  159    HB   ILE  21           HB       ILE  21  -6.415   3.070   3.615
  160   1HG1  ILE  21          HG12      ILE  21  -9.347   2.644   2.955
  161   2HG1  ILE  21          HG11      ILE  21  -8.641   4.106   3.646
  162   1HG2  ILE  21          HG21      ILE  21  -7.182   1.600   1.564
  163   2HG2  ILE  21          HG22      ILE  21  -7.638   0.448   2.817
  164   3HG2  ILE  21          HG23      ILE  21  -5.964   0.984   2.681
  165   1HD1  ILE  21          HD11      ILE  21  -7.061   3.926   1.512
  166   2HD1  ILE  21          HD12      ILE  21  -8.644   4.696   1.410
  167   3HD1  ILE  21          HD13      ILE  21  -8.436   3.033   0.863
  168    H    GLY  22           HN       GLY  22  -7.847  -0.606   4.424
  169   1HA   GLY  22          HA2       GLY  22  -9.619  -2.165   4.715
  170   2HA   GLY  22          HA1       GLY  22 -10.661  -0.842   5.235
  171    H    LYS  23           HN       LYS  23  -8.784  -0.997   2.217
  172    HA   LYS  23           HA       LYS  23 -11.356  -1.261   0.709
  173   1HB   LYS  23          HB2       LYS  23 -10.694   1.129   1.032
  174   2HB   LYS  23          HB1       LYS  23  -9.171   0.784   0.208
  175   1HG   LYS  23          HG2       LYS  23 -10.157   0.980  -1.806
  176   2HG   LYS  23          HG1       LYS  23 -11.382  -0.208  -1.364
  177   1HD   LYS  23          HD2       LYS  23 -12.930   1.392  -0.987
  178   2HD   LYS  23          HD1       LYS  23 -11.805   2.352  -0.027
  179   1HE   LYS  23          HE2       LYS  23 -11.519   3.784  -1.758
  180   2HE   LYS  23          HE1       LYS  23 -11.010   2.443  -2.804
  181   1HZ   LYS  23          HZ1       LYS  23 -13.166   3.665  -3.403
  182   2HZ   LYS  23          HZ2       LYS  23 -13.852   2.828  -2.093
  183   3HZ   LYS  23          HZ3       LYS  23 -13.191   1.969  -3.401
  184    H    ALA  24           HN       ALA  24  -8.315  -2.468   1.204
  185    HA   ALA  24           HA       ALA  24  -6.775  -3.675  -0.147
  186   1HB   ALA  24          HB1       ALA  24  -8.165  -5.468  -0.258
  187   2HB   ALA  24          HB2       ALA  24  -8.521  -4.934  -1.901
  188   3HB   ALA  24          HB3       ALA  24  -9.573  -4.452  -0.570
  189    H    ALA  25           HN       ALA  25  -6.855  -1.036  -1.056
  190    HA   ALA  25           HA       ALA  25  -6.515  -1.431  -3.992
  191   1HB   ALA  25          HB1       ALA  25  -8.289   0.555  -2.557
  192   2HB   ALA  25          HB2       ALA  25  -8.734  -0.572  -3.838
  193   3HB   ALA  25          HB3       ALA  25  -7.738   0.834  -4.208
  194    H    GLY  26           HN       GLY  26  -4.330  -0.955  -4.131
  195   1HA   GLY  26          HA2       GLY  26  -3.403   1.721  -3.749
  196   2HA   GLY  26          HA1       GLY  26  -2.890   0.739  -2.377
  197    H    LYS  27           HN       LYS  27  -0.800   1.588  -3.592
  198    HA   LYS  27           HA       LYS  27   0.224  -0.742  -5.131
  199   1HB   LYS  27          HB2       LYS  27   0.637   2.117  -6.036
  200   2HB   LYS  27          HB1       LYS  27   0.951   0.639  -6.945
  201   1HG   LYS  27          HG2       LYS  27  -1.576   0.172  -6.703
  202   2HG   LYS  27          HG1       LYS  27  -1.714   1.866  -6.235
  203   1HD   LYS  27          HD2       LYS  27  -0.057   1.651  -8.584
  204   2HD   LYS  27          HD1       LYS  27  -1.587   0.816  -8.860
  205   1HE   LYS  27          HE2       LYS  27  -2.640   2.805  -9.100
  206   2HE   LYS  27          HE1       LYS  27  -2.104   3.300  -7.482
  207   1HZ   LYS  27          HZ1       LYS  27  -0.498   3.444  -9.980
  208   2HZ   LYS  27          HZ2       LYS  27   0.074   3.835  -8.430
  209   3HZ   LYS  27          HZ3       LYS  27  -1.157   4.763  -9.143
  210    H    CYS  28           HN       CYS  28   2.741  -0.337  -5.436
  211    HA   CYS  28           HA       CYS  28   3.790   1.126  -3.037
  212   1HB   CYS  28          HB2       CYS  28   3.565  -1.593  -3.273
  213   2HB   CYS  28          HB1       CYS  28   5.195  -1.332  -3.897
  214    H    MET  29           HN       MET  29   5.411   2.529  -3.580
  215    HA   MET  29           HA       MET  29   7.094   1.952  -5.975
  216   1HB   MET  29          HB2       MET  29   5.104   3.364  -6.576
  217   2HB   MET  29          HB1       MET  29   5.668   4.574  -5.424
  218   1HG   MET  29          HG2       MET  29   6.832   5.434  -7.166
  219   2HG   MET  29          HG1       MET  29   7.934   4.080  -6.917
  220   1HE   MET  29          HE1       MET  29   5.352   5.703  -9.458
  221   2HE   MET  29          HE2       MET  29   4.503   4.906  -8.136
  222   3HE   MET  29          HE3       MET  29   4.368   4.268  -9.773
  223    H    ASN  30           HN       ASN  30   9.148   3.079  -5.897
  224    HA   ASN  30           HA       ASN  30  11.029   3.968  -4.778
  225   1HB   ASN  30          HB2       ASN  30   9.170   5.811  -4.740
  226   2HB   ASN  30          HB1       ASN  30   9.045   5.411  -3.027
  227   1HD2  ASN  30          HD21      ASN  30  11.725   5.974  -5.397
  228   2HD2  ASN  30          HD22      ASN  30  12.638   6.946  -4.346
  229    H    GLY  31           HN       GLY  31   9.375   1.592  -3.638
  230   1HA   GLY  31          HA2       GLY  31   9.831   0.096  -1.868
  231   2HA   GLY  31          HA1       GLY  31  10.994   1.263  -1.234
  232    H    LYS  32           HN       LYS  32   7.679   2.151  -1.966
  233    HA   LYS  32           HA       LYS  32   6.999   2.092   0.940
  234   1HB   LYS  32          HB2       LYS  32   6.796   4.486  -0.919
  235   2HB   LYS  32          HB1       LYS  32   6.301   4.456   0.775
  236   1HG   LYS  32          HG2       LYS  32   8.709   3.740   1.302
  237   2HG   LYS  32          HG1       LYS  32   9.095   4.216  -0.351
  238   1HD   LYS  32          HD2       LYS  32   8.214   6.480   0.093
  239   2HD   LYS  32          HD1       LYS  32   7.834   6.005   1.749
  240   1HE   LYS  32          HE2       LYS  32  10.043   6.052   2.414
  241   2HE   LYS  32          HE1       LYS  32  10.639   5.547   0.821
  242   1HZ   LYS  32          HZ1       LYS  32   9.403   8.185   1.414
  243   2HZ   LYS  32          HZ2       LYS  32  10.056   7.691  -0.075
  244   3HZ   LYS  32          HZ3       LYS  32  11.071   7.915   1.269
  245    H    CYS  33           HN       CYS  33   4.689   2.117   1.316
  246    HA   CYS  33           HA       CYS  33   3.126   1.076  -0.975
  247   1HB   CYS  33          HB2       CYS  33   3.309   0.077   1.386
  248   2HB   CYS  33          HB1       CYS  33   2.288   1.415   1.911
  249    H    LYS  34           HN       LYS  34   1.041   1.976  -1.522
  250    HA   LYS  34           HA       LYS  34   0.353   4.647  -0.414
  251   1HB   LYS  34          HB2       LYS  34   0.662   4.179  -3.387
  252   2HB   LYS  34          HB1       LYS  34   0.528   5.720  -2.539
  253   1HG   LYS  34          HG2       LYS  34   2.714   5.169  -1.388
  254   2HG   LYS  34          HG1       LYS  34   2.864   3.792  -2.480
  255   1HD   LYS  34          HD2       LYS  34   2.571   6.682  -3.353
  256   2HD   LYS  34          HD1       LYS  34   4.084   5.777  -3.334
  257   1HE   LYS  34          HE2       LYS  34   1.634   5.236  -5.040
  258   2HE   LYS  34          HE1       LYS  34   3.283   5.604  -5.586
  259   1HZ   LYS  34          HZ1       LYS  34   2.302   3.166  -4.224
  260   2HZ   LYS  34          HZ2       LYS  34   3.950   3.580  -4.222
  261   3HZ   LYS  34          HZ3       LYS  34   3.147   3.285  -5.690
  262    H    CYS  35           HN       CYS  35  -1.680   3.870   0.297
  263    HA   CYS  35           HA       CYS  35  -3.383   2.237  -1.446
  264   1HB   CYS  35          HB2       CYS  35  -3.947   3.663   1.172
  265   2HB   CYS  35          HB1       CYS  35  -4.890   2.341   0.479
  266    H    TYR  36           HN       TYR  36  -5.760   3.055  -1.699
  267    HA   TYR  36           HA       TYR  36  -5.649   5.851  -2.759
  268   1HB   TYR  36          HB2       TYR  36  -6.918   3.270  -3.523
  269   2HB   TYR  36          HB1       TYR  36  -7.851   4.727  -3.865
  270    HD1  TYR  36           HD1      TYR  36  -6.316   6.736  -4.846
  271    HD2  TYR  36           HD2      TYR  36  -5.487   2.537  -5.209
  272    HE1  TYR  36           HE1      TYR  36  -4.896   7.189  -6.823
  273    HE2  TYR  36           HE2      TYR  36  -4.065   2.992  -7.190
  274    HH   TYR  36           HH       TYR  36  -3.994   6.101  -8.723
  275    HA   PRO  37           HA       PRO  37  -8.455   7.078   0.463
  276   1HB   PRO  37          HB2       PRO  37  -9.620   9.088  -1.232
  277   2HB   PRO  37          HB1       PRO  37  -8.418   9.306   0.044
  278   1HG   PRO  37          HG2       PRO  37  -8.025   9.501  -2.788
  279   2HG   PRO  37          HG1       PRO  37  -6.821   9.697  -1.511
  280   1HD   PRO  37          HD2       PRO  37  -7.100   7.503  -3.368
  281   2HD   PRO  37          HD1       PRO  37  -5.873   7.707  -2.094
  Start of MODEL   25
    1   1H    VAL   1          HT1       VAL   1  -2.323  11.300   1.816
    2   2H    VAL   1          HT2       VAL   1  -1.188  10.323   1.014
    3   3H    VAL   1          HT3       VAL   1  -0.696  11.327   2.293
    4    HA   VAL   1           HA       VAL   1  -1.420   9.912   3.893
    5    HB   VAL   1           HB       VAL   1  -3.732  10.273   3.300
    6   1HG1  VAL   1          HG11      VAL   1  -4.765   9.422   1.351
    7   2HG1  VAL   1          HG12      VAL   1  -3.473   8.255   1.071
    8   3HG1  VAL   1          HG13      VAL   1  -3.188   9.973   0.790
    9   1HG2  VAL   1          HG21      VAL   1  -4.651   7.931   3.506
   10   2HG2  VAL   1          HG22      VAL   1  -3.418   8.326   4.703
   11   3HG2  VAL   1          HG23      VAL   1  -3.005   7.329   3.308
   12    H    PHE   2           HN       PHE   2   0.580   8.786   3.587
   13    HA   PHE   2           HA       PHE   2   0.303   6.180   2.153
   14   1HB   PHE   2          HB2       PHE   2   2.442   8.300   1.870
   15   2HB   PHE   2          HB1       PHE   2   2.708   6.633   1.366
   16    HD1  PHE   2           HD1      PHE   2  -0.053   5.972   0.365
   17    HD2  PHE   2           HD2      PHE   2   2.406   9.446  -0.207
   18    HE1  PHE   2           HE1      PHE   2  -1.205   6.430  -1.778
   19    HE2  PHE   2           HE2      PHE   2   1.253   9.905  -2.353
   20    HZ   PHE   2           HZ       PHE   2  -0.552   8.399  -3.139
   21    H    ILE   3           HN       ILE   3   1.998   4.608   2.899
   22    HA   ILE   3           HA       ILE   3   2.975   5.264   5.663
   23    HB   ILE   3           HB       ILE   3   2.401   2.965   6.252
   24   1HG1  ILE   3          HG12      ILE   3   1.452   2.683   3.384
   25   2HG1  ILE   3          HG11      ILE   3   2.966   2.016   3.997
   26   1HG2  ILE   3          HG21      ILE   3   0.108   3.273   6.362
   27   2HG2  ILE   3          HG22      ILE   3  -0.003   3.825   4.691
   28   3HG2  ILE   3          HG23      ILE   3   0.613   4.910   5.938
   29   1HD1  ILE   3          HD11      ILE   3   1.491   0.891   5.810
   30   2HD1  ILE   3          HD12      ILE   3   1.460   0.213   4.183
   31   3HD1  ILE   3          HD13      ILE   3   0.145   1.251   4.729
   32    H    ASN   4           HN       ASN   4   5.079   4.519   6.161
   33    HA   ASN   4           HA       ASN   4   6.707   3.689   3.811
   34   1HB   ASN   4          HB2       ASN   4   8.575   4.368   5.336
   35   2HB   ASN   4          HB1       ASN   4   7.393   5.654   5.088
   36   1HD2  ASN   4          HD21      ASN   4   8.329   6.431   7.263
   37   2HD2  ASN   4          HD22      ASN   4   7.652   5.790   8.682
   38    H    ALA   5           HN       ALA   5   5.704   1.438   4.033
   39    HA   ALA   5           HA       ALA   5   6.822  -0.136   6.308
   40   1HB   ALA   5          HB1       ALA   5   4.460  -0.170   4.614
   41   2HB   ALA   5          HB2       ALA   5   4.747  -1.020   6.133
   42   3HB   ALA   5          HB3       ALA   5   5.256  -1.743   4.607
   43    H    LYS   6           HN       LYS   6   8.132   0.910   3.617
   44    HA   LYS   6           HA       LYS   6   9.686   0.068   2.039
   45   1HB   LYS   6          HB2       LYS   6  10.263  -0.703   4.627
   46   2HB   LYS   6          HB1       LYS   6  10.337  -2.231   3.748
   47   1HG   LYS   6          HG2       LYS   6  11.670  -0.609   2.020
   48   2HG   LYS   6          HG1       LYS   6  12.098   0.145   3.557
   49   1HD   LYS   6          HD2       LYS   6  13.149  -1.787   4.362
   50   2HD   LYS   6          HD1       LYS   6  12.276  -2.842   3.250
   51   1HE   LYS   6          HE2       LYS   6  14.387  -2.758   2.231
   52   2HE   LYS   6          HE1       LYS   6  13.567  -1.416   1.407
   53   1HZ   LYS   6          HZ1       LYS   6  14.537   0.146   2.804
   54   2HZ   LYS   6          HZ2       LYS   6  15.813  -0.941   2.523
   55   3HZ   LYS   6          HZ3       LYS   6  14.948  -1.000   3.984
   56    H    CYS   7           HN       CYS   7   7.224  -0.712   1.224
   57    HA   CYS   7           HA       CYS   7   6.656  -3.506   1.132
   58   1HB   CYS   7          HB2       CYS   7   5.287  -2.815  -0.853
   59   2HB   CYS   7          HB1       CYS   7   5.056  -1.760   0.542
   60    H    ARG   8           HN       ARG   8   7.282  -5.121  -0.338
   61    HA   ARG   8           HA       ARG   8   9.693  -4.503  -1.983
   62   1HB   ARG   8          HB2       ARG   8   8.430  -6.987  -0.808
   63   2HB   ARG   8          HB1       ARG   8   9.733  -7.088  -1.994
   64   1HG   ARG   8          HG2       ARG   8  10.462  -5.154  -0.006
   65   2HG   ARG   8          HG1       ARG   8   9.958  -6.635   0.808
   66   1HD   ARG   8          HD2       ARG   8  12.040  -7.430   0.347
   67   2HD   ARG   8          HD1       ARG   8  11.514  -7.533  -1.345
   68    HE   ARG   8           HE       ARG   8  12.198  -4.836  -0.890
   69   1HH1  ARG   8          HH11      ARG   8  13.452  -7.730  -2.029
   70   2HH1  ARG   8          HH12      ARG   8  15.112  -7.245  -1.956
   71   1HH2  ARG   8          HH21      ARG   8  14.448  -4.284  -0.278
   72   2HH2  ARG   8          HH22      ARG   8  15.677  -5.294  -0.963
   73    H    GLY   9           HN       GLY   9   6.349  -5.546  -2.224
   74   1HA   GLY   9          HA2       GLY   9   6.624  -5.484  -5.191
   75   2HA   GLY   9          HA1       GLY   9   5.800  -6.845  -4.428
   76    H    SER  10           HN       SER  10   4.665  -4.884  -6.282
   77    HA   SER  10           HA       SER  10   3.078  -2.906  -4.994
   78   1HB   SER  10          HB2       SER  10   1.955  -4.320  -7.337
   79   2HB   SER  10          HB1       SER  10   2.312  -2.610  -7.122
   80    HG   SER  10           HG       SER  10   4.531  -3.148  -7.376
   81    HA   PRO  11           HA       PRO  11  -0.421  -6.295  -4.948
   82   1HB   PRO  11          HB2       PRO  11   0.909  -8.823  -4.590
   83   2HB   PRO  11          HB1       PRO  11  -0.137  -8.316  -5.918
   84   1HG   PRO  11          HG2       PRO  11   2.692  -8.711  -5.986
   85   2HG   PRO  11          HG1       PRO  11   1.651  -8.136  -7.292
   86   1HD   PRO  11          HD2       PRO  11   3.566  -6.632  -5.731
   87   2HD   PRO  11          HD1       PRO  11   2.577  -6.062  -7.099
   88    H    GLU  12           HN       GLU  12   2.519  -6.236  -3.100
   89    HA   GLU  12           HA       GLU  12   1.488  -7.556  -0.719
   90   1HB   GLU  12          HB2       GLU  12   3.868  -5.998  -1.596
   91   2HB   GLU  12          HB1       GLU  12   3.542  -6.004   0.138
   92   1HG   GLU  12          HG2       GLU  12   3.162  -8.664  -0.755
   93   2HG   GLU  12          HG1       GLU  12   4.666  -8.102  -1.484
   94    H    CYS  13           HN       CYS  13   1.560  -4.246  -1.947
   95    HA   CYS  13           HA       CYS  13   0.765  -2.930   0.487
   96   1HB   CYS  13          HB2       CYS  13   1.740  -2.140  -1.863
   97   2HB   CYS  13          HB1       CYS  13   0.032  -1.932  -2.244
   98    H    LEU  14           HN       LEU  14  -1.000  -4.701  -1.974
   99    HA   LEU  14           HA       LEU  14  -3.597  -3.630  -1.664
  100   1HB   LEU  14          HB2       LEU  14  -2.289  -6.005  -2.692
  101   2HB   LEU  14          HB1       LEU  14  -3.824  -6.429  -1.934
  102    HG   LEU  14           HG       LEU  14  -4.142  -4.018  -3.486
  103   1HD1  LEU  14          HD11      LEU  14  -3.862  -5.743  -5.631
  104   2HD1  LEU  14          HD12      LEU  14  -2.444  -6.111  -4.648
  105   3HD1  LEU  14          HD13      LEU  14  -2.729  -4.461  -5.202
  106   1HD2  LEU  14          HD21      LEU  14  -5.705  -5.756  -4.724
  107   2HD2  LEU  14          HD22      LEU  14  -6.086  -5.240  -3.081
  108   3HD2  LEU  14          HD23      LEU  14  -5.290  -6.790  -3.357
  109    HA   PRO  15           HA       PRO  15  -4.325  -6.806   1.941
  110   1HB   PRO  15          HB2       PRO  15  -1.732  -7.567   2.925
  111   2HB   PRO  15          HB1       PRO  15  -2.969  -8.607   2.214
  112   1HG   PRO  15          HG2       PRO  15  -0.470  -7.766   1.051
  113   2HG   PRO  15          HG1       PRO  15  -1.680  -8.858   0.371
  114   1HD   PRO  15          HD2       PRO  15  -1.076  -6.188  -0.481
  115   2HD   PRO  15          HD1       PRO  15  -2.366  -7.256  -1.083
  116    H    LYS  16           HN       LYS  16  -1.209  -5.045   2.090
  117    HA   LYS  16           HA       LYS  16  -1.464  -4.139   4.802
  118   1HB   LYS  16          HB2       LYS  16   0.052  -3.285   2.336
  119   2HB   LYS  16          HB1       LYS  16   0.198  -2.376   3.841
  120   1HG   LYS  16          HG2       LYS  16   0.749  -5.340   3.501
  121   2HG   LYS  16          HG1       LYS  16   1.967  -4.078   3.697
  122   1HD   LYS  16          HD2       LYS  16   0.249  -3.640   5.832
  123   2HD   LYS  16          HD1       LYS  16   0.321  -5.399   5.723
  124   1HE   LYS  16          HE2       LYS  16   2.639  -5.457   6.097
  125   2HE   LYS  16          HE1       LYS  16   2.859  -3.773   5.587
  126   1HZ   LYS  16          HZ1       LYS  16   1.345  -4.658   7.987
  127   2HZ   LYS  16          HZ2       LYS  16   1.569  -3.049   7.489
  128   3HZ   LYS  16          HZ3       LYS  16   2.897  -3.973   8.009
  129    H    CYS  17           HN       CYS  17  -2.462  -2.710   1.696
  130    HA   CYS  17           HA       CYS  17  -3.299  -0.166   2.730
  131   1HB   CYS  17          HB2       CYS  17  -3.952  -1.849   0.306
  132   2HB   CYS  17          HB1       CYS  17  -4.668  -0.254   0.541
  133    H    LYS  18           HN       LYS  18  -4.817  -3.327   2.684
  134    HA   LYS  18           HA       LYS  18  -7.527  -2.352   3.155
  135   1HB   LYS  18          HB2       LYS  18  -6.763  -4.537   2.078
  136   2HB   LYS  18          HB1       LYS  18  -6.353  -5.089   3.703
  137   1HG   LYS  18          HG2       LYS  18  -8.800  -4.335   4.281
  138   2HG   LYS  18          HG1       LYS  18  -9.055  -4.478   2.542
  139   1HD   LYS  18          HD2       LYS  18  -9.414  -6.678   2.926
  140   2HD   LYS  18          HD1       LYS  18  -7.669  -6.798   3.163
  141   1HE   LYS  18          HE2       LYS  18  -8.071  -7.425   5.304
  142   2HE   LYS  18          HE1       LYS  18  -8.743  -5.810   5.603
  143   1HZ   LYS  18          HZ1       LYS  18 -10.227  -8.093   4.410
  144   2HZ   LYS  18          HZ2       LYS  18 -10.859  -6.548   4.725
  145   3HZ   LYS  18          HZ3       LYS  18 -10.392  -7.556   6.010
  146    H    GLU  19           HN       GLU  19  -4.922  -3.700   5.193
  147    HA   GLU  19           HA       GLU  19  -6.518  -3.571   7.635
  148   1HB   GLU  19          HB2       GLU  19  -3.973  -4.562   6.684
  149   2HB   GLU  19          HB1       GLU  19  -3.752  -3.699   8.207
  150   1HG   GLU  19          HG2       GLU  19  -4.264  -6.100   8.577
  151   2HG   GLU  19          HG1       GLU  19  -5.508  -5.050   9.257
  152    H    ALA  20           HN       ALA  20  -4.378  -1.383   5.919
  153    HA   ALA  20           HA       ALA  20  -4.031   0.391   8.255
  154   1HB   ALA  20          HB1       ALA  20  -2.263   1.099   7.026
  155   2HB   ALA  20          HB2       ALA  20  -3.282   1.412   5.621
  156   3HB   ALA  20          HB3       ALA  20  -2.648  -0.209   5.907
  157    H    ILE  21           HN       ILE  21  -6.127   0.097   5.468
  158    HA   ILE  21           HA       ILE  21  -7.451   2.669   6.263
  159    HB   ILE  21           HB       ILE  21  -6.640   1.575   3.569
  160   1HG1  ILE  21          HG12      ILE  21  -6.436   4.438   4.373
  161   2HG1  ILE  21          HG11      ILE  21  -5.373   3.299   5.200
  162   1HG2  ILE  21          HG21      ILE  21  -8.574   2.338   2.694
  163   2HG2  ILE  21          HG22      ILE  21  -8.039   3.960   3.135
  164   3HG2  ILE  21          HG23      ILE  21  -9.065   3.040   4.236
  165   1HD1  ILE  21          HD11      ILE  21  -4.034   3.186   3.397
  166   2HD1  ILE  21          HD12      ILE  21  -5.033   4.410   2.613
  167   3HD1  ILE  21          HD13      ILE  21  -5.396   2.699   2.386
  168    H    GLY  22           HN       GLY  22  -7.780  -0.622   5.020
  169   1HA   GLY  22          HA2       GLY  22  -9.774  -1.892   5.785
  170   2HA   GLY  22          HA1       GLY  22 -10.718  -0.420   5.545
  171    H    LYS  23           HN       LYS  23  -9.006  -0.009   2.994
  172    HA   LYS  23           HA       LYS  23 -10.639  -1.855   1.284
  173   1HB   LYS  23          HB2       LYS  23 -10.436   0.947   1.425
  174   2HB   LYS  23          HB1       LYS  23  -9.550   0.495  -0.032
  175   1HG   LYS  23          HG2       LYS  23 -11.815  -1.119  -0.118
  176   2HG   LYS  23          HG1       LYS  23 -12.425   0.425   0.480
  177   1HD   LYS  23          HD2       LYS  23 -10.527   0.861  -1.660
  178   2HD   LYS  23          HD1       LYS  23 -11.805  -0.233  -2.189
  179   1HE   LYS  23          HE2       LYS  23 -13.305   1.612  -0.880
  180   2HE   LYS  23          HE1       LYS  23 -11.976   2.639  -1.452
  181   1HZ   LYS  23          HZ1       LYS  23 -12.241   1.461  -3.646
  182   2HZ   LYS  23          HZ2       LYS  23 -13.502   2.521  -3.230
  183   3HZ   LYS  23          HZ3       LYS  23 -13.707   0.843  -3.056
  184    H    ALA  24           HN       ALA  24  -9.406  -3.402   0.304
  185    HA   ALA  24           HA       ALA  24  -6.523  -3.347   0.251
  186   1HB   ALA  24          HB1       ALA  24  -7.234  -5.235  -1.564
  187   2HB   ALA  24          HB2       ALA  24  -8.773  -5.026  -0.729
  188   3HB   ALA  24          HB3       ALA  24  -7.336  -5.497   0.177
  189    H    ALA  25           HN       ALA  25  -6.265  -1.167  -0.814
  190    HA   ALA  25           HA       ALA  25  -6.101  -1.497  -3.763
  191   1HB   ALA  25          HB1       ALA  25  -7.321   0.624  -4.092
  192   2HB   ALA  25          HB2       ALA  25  -7.538   0.772  -2.348
  193   3HB   ALA  25          HB3       ALA  25  -8.327  -0.538  -3.226
  194    H    GLY  26           HN       GLY  26  -4.132  -0.712  -4.408
  195   1HA   GLY  26          HA2       GLY  26  -2.944   1.706  -3.950
  196   2HA   GLY  26          HA1       GLY  26  -2.490   0.799  -2.507
  197    H    LYS  27           HN       LYS  27  -0.312   1.373  -3.699
  198    HA   LYS  27           HA       LYS  27   0.502  -1.090  -5.159
  199   1HB   LYS  27          HB2       LYS  27   0.790   1.776  -6.107
  200   2HB   LYS  27          HB1       LYS  27   1.653   0.422  -6.836
  201   1HG   LYS  27          HG2       LYS  27  -0.545  -0.691  -7.266
  202   2HG   LYS  27          HG1       LYS  27  -1.356   0.751  -6.657
  203   1HD   LYS  27          HD2       LYS  27   0.688   1.332  -8.687
  204   2HD   LYS  27          HD1       LYS  27  -0.638   0.336  -9.289
  205   1HE   LYS  27          HE2       LYS  27  -2.140   2.051  -9.147
  206   2HE   LYS  27          HE1       LYS  27  -1.488   2.610  -7.595
  207   1HZ   LYS  27          HZ1       LYS  27   0.406   3.538  -8.721
  208   2HZ   LYS  27          HZ2       LYS  27  -1.004   4.157  -9.436
  209   3HZ   LYS  27          HZ3       LYS  27  -0.122   2.932 -10.214
  210    H    CYS  28           HN       CYS  28   3.093  -0.508  -5.698
  211    HA   CYS  28           HA       CYS  28   4.257   0.524  -3.138
  212   1HB   CYS  28          HB2       CYS  28   4.189  -1.899  -3.043
  213   2HB   CYS  28          HB1       CYS  28   4.865  -2.025  -4.666
  214    H    MET  29           HN       MET  29   5.411   2.313  -3.792
  215    HA   MET  29           HA       MET  29   7.074   2.063  -6.281
  216   1HB   MET  29          HB2       MET  29   4.955   3.702  -5.903
  217   2HB   MET  29          HB1       MET  29   6.233   4.723  -5.244
  218   1HG   MET  29          HG2       MET  29   7.452   3.850  -7.502
  219   2HG   MET  29          HG1       MET  29   5.773   3.840  -8.039
  220   1HE   MET  29          HE1       MET  29   7.591   6.169  -9.647
  221   2HE   MET  29          HE2       MET  29   8.552   5.258  -8.484
  222   3HE   MET  29          HE3       MET  29   8.519   7.018  -8.403
  223    H    ASN  30           HN       ASN  30   9.246   2.192  -5.858
  224    HA   ASN  30           HA       ASN  30  11.270   2.811  -4.797
  225   1HB   ASN  30          HB2       ASN  30   9.389   4.939  -4.529
  226   2HB   ASN  30          HB1       ASN  30  10.250   4.800  -2.996
  227   1HD2  ASN  30          HD21      ASN  30  12.547   5.250  -2.982
  228   2HD2  ASN  30          HD22      ASN  30  13.343   5.922  -4.321
  229    H    GLY  31           HN       GLY  31   8.982   1.059  -3.484
  230   1HA   GLY  31          HA2       GLY  31   9.220  -0.429  -1.629
  231   2HA   GLY  31          HA1       GLY  31  10.483   0.620  -0.981
  232    H    LYS  32           HN       LYS  32   7.598   2.187  -2.028
  233    HA   LYS  32           HA       LYS  32   6.823   2.576   0.842
  234   1HB   LYS  32          HB2       LYS  32   6.336   4.327  -1.590
  235   2HB   LYS  32          HB1       LYS  32   6.028   4.763   0.092
  236   1HG   LYS  32          HG2       LYS  32   8.739   3.843  -0.154
  237   2HG   LYS  32          HG1       LYS  32   8.442   5.090  -1.366
  238   1HD   LYS  32          HD2       LYS  32   7.613   6.615   0.345
  239   2HD   LYS  32          HD1       LYS  32   7.767   5.363   1.577
  240   1HE   LYS  32          HE2       LYS  32   9.762   6.568   1.875
  241   2HE   LYS  32          HE1       LYS  32  10.287   5.298   0.751
  242   1HZ   LYS  32          HZ1       LYS  32   9.275   7.045  -0.958
  243   2HZ   LYS  32          HZ2       LYS  32  10.905   7.077  -0.482
  244   3HZ   LYS  32          HZ3       LYS  32   9.784   8.126   0.246
  245    H    CYS  33           HN       CYS  33   4.624   2.320   1.390
  246    HA   CYS  33           HA       CYS  33   2.989   0.822  -0.582
  247   1HB   CYS  33          HB2       CYS  33   3.525   0.581   2.100
  248   2HB   CYS  33          HB1       CYS  33   1.963   1.390   2.124
  249    H    LYS  34           HN       LYS  34   1.690   2.076  -1.876
  250    HA   LYS  34           HA       LYS  34   0.513   4.574  -0.723
  251   1HB   LYS  34          HB2       LYS  34   0.733   3.751  -3.627
  252   2HB   LYS  34          HB1       LYS  34   0.482   5.375  -2.983
  253   1HG   LYS  34          HG2       LYS  34   2.792   4.802  -1.741
  254   2HG   LYS  34          HG1       LYS  34   2.990   3.771  -3.158
  255   1HD   LYS  34          HD2       LYS  34   2.281   6.717  -3.281
  256   2HD   LYS  34          HD1       LYS  34   3.912   6.079  -3.486
  257   1HE   LYS  34          HE2       LYS  34   3.491   5.502  -5.639
  258   2HE   LYS  34          HE1       LYS  34   1.987   4.678  -5.184
  259   1HZ   LYS  34          HZ1       LYS  34   0.762   6.530  -5.498
  260   2HZ   LYS  34          HZ2       LYS  34   2.033   6.974  -6.534
  261   3HZ   LYS  34          HZ3       LYS  34   1.980   7.572  -4.944
  262    H    CYS  35           HN       CYS  35  -1.586   4.267  -0.080
  263    HA   CYS  35           HA       CYS  35  -3.255   2.272  -1.576
  264   1HB   CYS  35          HB2       CYS  35  -3.711   3.465   1.170
  265   2HB   CYS  35          HB1       CYS  35  -4.447   2.012   0.497
  266    H    TYR  36           HN       TYR  36  -5.278   2.933  -2.378
  267    HA   TYR  36           HA       TYR  36  -5.691   5.865  -2.586
  268   1HB   TYR  36          HB2       TYR  36  -6.816   3.392  -3.920
  269   2HB   TYR  36          HB1       TYR  36  -7.470   5.002  -4.231
  270    HD1  TYR  36           HD1      TYR  36  -6.516   6.307  -5.920
  271    HD2  TYR  36           HD2      TYR  36  -4.194   3.182  -4.109
  272    HE1  TYR  36           HE1      TYR  36  -4.675   6.747  -7.524
  273    HE2  TYR  36           HE2      TYR  36  -2.353   3.620  -5.710
  274    HH   TYR  36           HH       TYR  36  -2.008   6.323  -7.417
  275    HA   PRO  37           HA       PRO  37  -8.852   6.021   0.475
  276   1HB   PRO  37          HB2       PRO  37 -10.487   7.811  -1.075
  277   2HB   PRO  37          HB1       PRO  37  -9.391   8.212   0.251
  278   1HG   PRO  37          HG2       PRO  37  -9.039   8.752  -2.546
  279   2HG   PRO  37          HG1       PRO  37  -7.949   9.154  -1.216
  280   1HD   PRO  37          HD2       PRO  37  -7.589   7.140  -3.251
  281   2HD   PRO  37          HD1       PRO  37  -6.496   7.537  -1.903
  Start of MODEL   26
    1   1H    VAL   1          HT1       VAL   1  -3.255   9.181   0.766
    2   2H    VAL   1          HT2       VAL   1  -1.713   9.551   0.157
    3   3H    VAL   1          HT3       VAL   1  -2.585  10.717   1.034
    4    HA   VAL   1           HA       VAL   1  -1.137   9.981   2.646
    5    HB   VAL   1           HB       VAL   1  -3.763   9.575   2.892
    6   1HG1  VAL   1          HG11      VAL   1  -3.626   7.265   1.942
    7   2HG1  VAL   1          HG12      VAL   1  -4.291   7.295   3.575
    8   3HG1  VAL   1          HG13      VAL   1  -2.620   6.795   3.313
    9   1HG2  VAL   1          HG21      VAL   1  -1.621   8.602   4.804
   10   2HG2  VAL   1          HG22      VAL   1  -3.311   8.829   5.256
   11   3HG2  VAL   1          HG23      VAL   1  -2.341  10.212   4.744
   12    H    PHE   2           HN       PHE   2   0.715   8.770   2.708
   13    HA   PHE   2           HA       PHE   2   0.629   5.993   1.564
   14   1HB   PHE   2          HB2       PHE   2   2.801   8.116   1.530
   15   2HB   PHE   2          HB1       PHE   2   2.991   6.483   0.892
   16    HD1  PHE   2           HD1      PHE   2   2.584   6.143  -1.371
   17    HD2  PHE   2           HD2      PHE   2   0.603   9.379   0.646
   18    HE1  PHE   2           HE1      PHE   2   1.559   6.852  -3.513
   19    HE2  PHE   2           HE2      PHE   2  -0.425  10.083  -1.494
   20    HZ   PHE   2           HZ       PHE   2   0.054   8.823  -3.575
   21    H    ILE   3           HN       ILE   3   2.060   4.451   2.627
   22    HA   ILE   3           HA       ILE   3   2.719   5.236   5.446
   23    HB   ILE   3           HB       ILE   3   2.540   2.691   5.755
   24   1HG1  ILE   3          HG12      ILE   3   1.160   2.892   3.064
   25   2HG1  ILE   3          HG11      ILE   3   2.783   2.237   3.279
   26   1HG2  ILE   3          HG21      ILE   3   0.349   4.610   5.128
   27   2HG2  ILE   3          HG22      ILE   3   0.683   3.733   6.621
   28   3HG2  ILE   3          HG23      ILE   3  -0.092   2.909   5.268
   29   1HD1  ILE   3          HD11      ILE   3   1.295   0.916   5.217
   30   2HD1  ILE   3          HD12      ILE   3   1.774   0.248   3.656
   31   3HD1  ILE   3          HD13      ILE   3   0.192   1.003   3.844
   32    H    ASN   4           HN       ASN   4   4.817   4.935   6.151
   33    HA   ASN   4           HA       ASN   4   6.963   4.690   4.276
   34   1HB   ASN   4          HB2       ASN   4   8.293   4.511   6.419
   35   2HB   ASN   4          HB1       ASN   4   7.163   5.866   6.385
   36   1HD2  ASN   4          HD21      ASN   4   5.772   6.000   8.153
   37   2HD2  ASN   4          HD22      ASN   4   5.400   4.716   9.198
   38    H    ALA   5           HN       ALA   5   4.950   2.265   5.550
   39    HA   ALA   5           HA       ALA   5   6.459   0.061   6.196
   40   1HB   ALA   5          HB1       ALA   5   4.340  -0.149   4.068
   41   2HB   ALA   5          HB2       ALA   5   3.913   0.436   5.676
   42   3HB   ALA   5          HB3       ALA   5   4.598  -1.178   5.477
   43    H    LYS   6           HN       LYS   6   8.366  -0.597   5.270
   44    HA   LYS   6           HA       LYS   6   9.111  -0.049   2.531
   45   1HB   LYS   6          HB2       LYS   6  10.161  -1.372   4.945
   46   2HB   LYS   6          HB1       LYS   6  10.750  -2.071   3.437
   47   1HG   LYS   6          HG2       LYS   6  10.796   0.780   3.176
   48   2HG   LYS   6          HG1       LYS   6  11.590   0.350   4.692
   49   1HD   LYS   6          HD2       LYS   6  12.623  -1.548   3.032
   50   2HD   LYS   6          HD1       LYS   6  12.419  -0.206   1.905
   51   1HE   LYS   6          HE2       LYS   6  14.560   0.226   2.779
   52   2HE   LYS   6          HE1       LYS   6  13.538   1.200   3.856
   53   1HZ   LYS   6          HZ1       LYS   6  13.333  -0.875   5.248
   54   2HZ   LYS   6          HZ2       LYS   6  14.859  -0.129   5.265
   55   3HZ   LYS   6          HZ3       LYS   6  14.604  -1.526   4.332
   56    H    CYS   7           HN       CYS   7   7.147  -1.023   1.465
   57    HA   CYS   7           HA       CYS   7   6.710  -3.898   1.579
   58   1HB   CYS   7          HB2       CYS   7   5.195  -3.355  -0.349
   59   2HB   CYS   7          HB1       CYS   7   4.928  -2.314   1.049
   60    H    ARG   8           HN       ARG   8   6.816  -5.164  -0.599
   61    HA   ARG   8           HA       ARG   8   9.293  -4.412  -2.114
   62   1HB   ARG   8          HB2       ARG   8   8.478  -7.009  -0.799
   63   2HB   ARG   8          HB1       ARG   8   9.731  -6.945  -2.040
   64   1HG   ARG   8          HG2       ARG   8  10.548  -4.917  -0.428
   65   2HG   ARG   8          HG1       ARG   8   9.798  -5.984   0.761
   66   1HD   ARG   8          HD2       ARG   8  11.271  -7.766   0.277
   67   2HD   ARG   8          HD1       ARG   8  11.731  -7.072  -1.292
   68    HE   ARG   8           HE       ARG   8  12.559  -5.960   1.358
   69   1HH1  ARG   8          HH21      ARG   8  12.489  -3.860  -0.710
   70   2HH1  ARG   8          HH22      ARG   8  14.068  -3.957  -1.418
   71   1HH2  ARG   8          HH11      ARG   8  14.734  -7.112  -0.143
   72   2HH2  ARG   8          HH12      ARG   8  15.340  -5.797  -1.095
   73    H    GLY   9           HN       GLY   9   6.131  -5.976  -2.114
   74   1HA   GLY   9          HA2       GLY   9   6.362  -6.254  -5.084
   75   2HA   GLY   9          HA1       GLY   9   5.408  -7.355  -4.091
   76    H    SER  10           HN       SER  10   4.697  -5.385  -6.323
   77    HA   SER  10           HA       SER  10   3.169  -3.223  -5.276
   78   1HB   SER  10          HB2       SER  10   3.531  -4.706  -7.774
   79   2HB   SER  10          HB1       SER  10   1.898  -4.070  -7.596
   80    HG   SER  10           HG       SER  10   2.714  -2.203  -8.071
   81    HA   PRO  11           HA       PRO  11  -0.645  -6.237  -5.499
   82   1HB   PRO  11          HB2       PRO  11   0.386  -8.912  -5.265
   83   2HB   PRO  11          HB1       PRO  11  -0.521  -8.208  -6.608
   84   1HG   PRO  11          HG2       PRO  11   2.260  -8.901  -6.538
   85   2HG   PRO  11          HG1       PRO  11   1.354  -8.184  -7.873
   86   1HD   PRO  11          HD2       PRO  11   3.327  -6.925  -6.189
   87   2HD   PRO  11          HD1       PRO  11   2.424  -6.204  -7.542
   88    H    GLU  12           HN       GLU  12   2.249  -7.274  -3.701
   89    HA   GLU  12           HA       GLU  12   0.938  -8.336  -1.395
   90   1HB   GLU  12          HB2       GLU  12   3.617  -7.209  -2.116
   91   2HB   GLU  12          HB1       GLU  12   3.263  -7.469  -0.407
   92   1HG   GLU  12          HG2       GLU  12   2.397  -9.820  -1.310
   93   2HG   GLU  12          HG1       GLU  12   3.536  -9.469  -2.611
   94    H    CYS  13           HN       CYS  13   1.568  -5.034  -2.414
   95    HA   CYS  13           HA       CYS  13   1.255  -3.758   0.152
   96   1HB   CYS  13          HB2       CYS  13   1.771  -3.091  -2.554
   97   2HB   CYS  13          HB1       CYS  13   0.354  -2.156  -2.079
   98    H    LEU  14           HN       LEU  14  -1.044  -4.651  -2.429
   99    HA   LEU  14           HA       LEU  14  -3.363  -3.340  -1.662
  100   1HB   LEU  14          HB2       LEU  14  -2.592  -5.716  -3.093
  101   2HB   LEU  14          HB1       LEU  14  -4.053  -6.050  -2.165
  102    HG   LEU  14           HG       LEU  14  -5.058  -3.950  -3.105
  103   1HD1  LEU  14          HD11      LEU  14  -3.363  -3.747  -5.414
  104   2HD1  LEU  14          HD12      LEU  14  -2.372  -3.561  -3.967
  105   3HD1  LEU  14          HD13      LEU  14  -3.756  -2.500  -4.230
  106   1HD2  LEU  14          HD21      LEU  14  -5.186  -4.925  -5.512
  107   2HD2  LEU  14          HD22      LEU  14  -5.764  -5.931  -4.183
  108   3HD2  LEU  14          HD23      LEU  14  -4.172  -6.222  -4.882
  109    HA   PRO  15           HA       PRO  15  -4.312  -6.786   1.649
  110   1HB   PRO  15          HB2       PRO  15  -1.777  -7.973   2.325
  111   2HB   PRO  15          HB1       PRO  15  -3.200  -8.765   1.641
  112   1HG   PRO  15          HG2       PRO  15  -0.710  -8.127   0.329
  113   2HG   PRO  15          HG1       PRO  15  -2.101  -8.996  -0.324
  114   1HD   PRO  15          HD2       PRO  15  -1.233  -6.367  -1.019
  115   2HD   PRO  15          HD1       PRO  15  -2.719  -7.185  -1.554
  116    H    LYS  16           HN       LYS  16  -0.875  -5.740   1.916
  117    HA   LYS  16           HA       LYS  16  -0.894  -4.967   4.628
  118   1HB   LYS  16          HB2       LYS  16   0.565  -4.148   2.136
  119   2HB   LYS  16          HB1       LYS  16   0.832  -3.215   3.610
  120   1HG   LYS  16          HG2       LYS  16   1.057  -6.233   3.503
  121   2HG   LYS  16          HG1       LYS  16   2.434  -5.155   3.269
  122   1HD   LYS  16          HD2       LYS  16   0.642  -5.069   5.710
  123   2HD   LYS  16          HD1       LYS  16   2.154  -5.976   5.642
  124   1HE   LYS  16          HE2       LYS  16   3.401  -3.906   5.162
  125   2HE   LYS  16          HE1       LYS  16   1.887  -2.981   5.193
  126   1HZ   LYS  16          HZ1       LYS  16   2.998  -4.606   7.420
  127   2HZ   LYS  16          HZ2       LYS  16   1.489  -3.827   7.445
  128   3HZ   LYS  16          HZ3       LYS  16   2.918  -2.913   7.363
  129    H    CYS  17           HN       CYS  17  -1.938  -3.161   1.742
  130    HA   CYS  17           HA       CYS  17  -2.515  -0.680   3.104
  131   1HB   CYS  17          HB2       CYS  17  -2.176  -1.067   0.631
  132   2HB   CYS  17          HB1       CYS  17  -3.752  -1.859   0.593
  133    H    LYS  18           HN       LYS  18  -4.495  -3.513   2.210
  134    HA   LYS  18           HA       LYS  18  -7.032  -2.611   3.066
  135   1HB   LYS  18          HB2       LYS  18  -6.771  -4.662   1.853
  136   2HB   LYS  18          HB1       LYS  18  -5.650  -5.306   3.051
  137   1HG   LYS  18          HG2       LYS  18  -7.363  -6.190   4.205
  138   2HG   LYS  18          HG1       LYS  18  -8.089  -4.592   4.377
  139   1HD   LYS  18          HD2       LYS  18  -9.035  -4.865   2.053
  140   2HD   LYS  18          HD1       LYS  18  -8.470  -6.536   2.084
  141   1HE   LYS  18          HE2       LYS  18 -10.544  -6.952   2.976
  142   2HE   LYS  18          HE1       LYS  18  -9.804  -6.374   4.483
  143   1HZ   LYS  18          HZ1       LYS  18 -11.544  -4.947   2.600
  144   2HZ   LYS  18          HZ2       LYS  18 -10.345  -4.059   3.413
  145   3HZ   LYS  18          HZ3       LYS  18 -11.528  -4.902   4.295
  146    H    GLU  19           HN       GLU  19  -4.229  -3.584   4.921
  147    HA   GLU  19           HA       GLU  19  -5.792  -3.720   7.448
  148   1HB   GLU  19          HB2       GLU  19  -3.884  -5.299   6.609
  149   2HB   GLU  19          HB1       GLU  19  -2.807  -4.001   7.124
  150   1HG   GLU  19          HG2       GLU  19  -2.911  -5.079   9.135
  151   2HG   GLU  19          HG1       GLU  19  -4.415  -4.172   9.302
  152    H    ALA  20           HN       ALA  20  -3.733  -1.577   5.643
  153    HA   ALA  20           HA       ALA  20  -3.050   0.119   7.953
  154   1HB   ALA  20          HB1       ALA  20  -1.550  -0.330   5.999
  155   2HB   ALA  20          HB2       ALA  20  -1.853   1.391   6.237
  156   3HB   ALA  20          HB3       ALA  20  -2.701   0.514   4.963
  157    H    ILE  21           HN       ILE  21  -5.130   0.334   5.049
  158    HA   ILE  21           HA       ILE  21  -6.439   2.736   6.278
  159    HB   ILE  21           HB       ILE  21  -5.209   2.896   4.050
  160   1HG1  ILE  21          HG12      ILE  21  -8.191   3.463   4.098
  161   2HG1  ILE  21          HG11      ILE  21  -6.923   4.533   4.696
  162   1HG2  ILE  21          HG21      ILE  21  -5.902   0.676   3.200
  163   2HG2  ILE  21          HG22      ILE  21  -6.365   1.964   2.089
  164   3HG2  ILE  21          HG23      ILE  21  -7.575   1.228   3.141
  165   1HD1  ILE  21          HD11      ILE  21  -6.107   3.932   2.102
  166   2HD1  ILE  21          HD12      ILE  21  -6.877   5.431   2.623
  167   3HD1  ILE  21          HD13      ILE  21  -7.855   4.122   1.958
  168    H    GLY  22           HN       GLY  22  -6.980  -0.412   4.748
  169   1HA   GLY  22          HA2       GLY  22  -8.829  -1.856   5.224
  170   2HA   GLY  22          HA1       GLY  22  -9.668  -0.496   5.967
  171    H    LYS  23           HN       LYS  23  -8.181  -0.629   2.737
  172    HA   LYS  23           HA       LYS  23 -10.915  -0.474   1.535
  173   1HB   LYS  23          HB2       LYS  23  -8.751   1.537   1.642
  174   2HB   LYS  23          HB1       LYS  23  -9.466   1.306   0.045
  175   1HG   LYS  23          HG2       LYS  23 -10.970   2.841   0.864
  176   2HG   LYS  23          HG1       LYS  23 -11.726   1.378   1.495
  177   1HD   LYS  23          HD2       LYS  23 -10.804   1.702   3.660
  178   2HD   LYS  23          HD1       LYS  23  -9.647   2.897   3.074
  179   1HE   LYS  23          HE2       LYS  23 -11.491   4.038   4.238
  180   2HE   LYS  23          HE1       LYS  23 -11.574   4.410   2.505
  181   1HZ   LYS  23          HZ1       LYS  23 -12.920   2.001   3.510
  182   2HZ   LYS  23          HZ2       LYS  23 -13.314   2.979   2.176
  183   3HZ   LYS  23          HZ3       LYS  23 -13.668   3.503   3.753
  184    H    ALA  24           HN       ALA  24  -8.064  -2.103   1.600
  185    HA   ALA  24           HA       ALA  24  -6.825  -3.359   0.006
  186   1HB   ALA  24          HB1       ALA  24  -9.770  -3.636  -0.483
  187   2HB   ALA  24          HB2       ALA  24  -8.631  -4.825   0.149
  188   3HB   ALA  24          HB3       ALA  24  -8.654  -4.455  -1.575
  189    H    ALA  25           HN       ALA  25  -6.713  -0.628  -0.689
  190    HA   ALA  25           HA       ALA  25  -6.643  -0.841  -3.664
  191   1HB   ALA  25          HB1       ALA  25  -7.974   1.330  -2.011
  192   2HB   ALA  25          HB2       ALA  25  -8.779   0.188  -3.087
  193   3HB   ALA  25          HB3       ALA  25  -7.718   1.428  -3.753
  194    H    GLY  26           HN       GLY  26  -4.291  -0.933  -3.309
  195   1HA   GLY  26          HA2       GLY  26  -3.092   1.722  -3.227
  196   2HA   GLY  26          HA1       GLY  26  -2.676   0.742  -1.821
  197    H    LYS  27           HN       LYS  27  -0.549   1.388  -3.255
  198    HA   LYS  27           HA       LYS  27   0.158  -1.147  -4.666
  199   1HB   LYS  27          HB2       LYS  27   0.923   1.580  -5.727
  200   2HB   LYS  27          HB1       LYS  27   0.933   0.035  -6.578
  201   1HG   LYS  27          HG2       LYS  27  -1.640   0.039  -6.092
  202   2HG   LYS  27          HG1       LYS  27  -1.414   1.771  -5.848
  203   1HD   LYS  27          HD2       LYS  27  -0.645   0.218  -8.339
  204   2HD   LYS  27          HD1       LYS  27  -2.025   1.306  -8.185
  205   1HE   LYS  27          HE2       LYS  27  -0.413   2.722  -9.145
  206   2HE   LYS  27          HE1       LYS  27  -0.176   3.045  -7.415
  207   1HZ   LYS  27          HZ1       LYS  27   1.753   1.920  -7.375
  208   2HZ   LYS  27          HZ2       LYS  27   1.768   2.189  -9.053
  209   3HZ   LYS  27          HZ3       LYS  27   1.205   0.711  -8.432
  210    H    CYS  28           HN       CYS  28   2.675  -1.072  -5.082
  211    HA   CYS  28           HA       CYS  28   3.968   0.125  -2.652
  212   1HB   CYS  28          HB2       CYS  28   3.836  -2.307  -2.585
  213   2HB   CYS  28          HB1       CYS  28   4.493  -2.425  -4.215
  214    H    MET  29           HN       MET  29   5.336   1.772  -3.213
  215    HA   MET  29           HA       MET  29   7.132   1.428  -5.552
  216   1HB   MET  29          HB2       MET  29   4.721   2.740  -5.781
  217   2HB   MET  29          HB1       MET  29   5.824   4.067  -5.416
  218   1HG   MET  29          HG2       MET  29   7.308   3.335  -7.253
  219   2HG   MET  29          HG1       MET  29   6.192   2.020  -7.626
  220   1HE   MET  29          HE1       MET  29   6.972   5.268  -9.556
  221   2HE   MET  29          HE2       MET  29   7.386   5.238  -7.844
  222   3HE   MET  29          HE3       MET  29   6.172   6.372  -8.430
  223    H    ASN  30           HN       ASN  30   9.013   2.766  -5.397
  224    HA   ASN  30           HA       ASN  30  10.695   3.960  -4.243
  225   1HB   ASN  30          HB2       ASN  30   8.226   5.341  -4.148
  226   2HB   ASN  30          HB1       ASN  30   8.930   5.488  -2.537
  227   1HD2  ASN  30          HD21      ASN  30   9.588   7.716  -2.778
  228   2HD2  ASN  30          HD22      ASN  30  10.808   8.188  -3.861
  229    H    GLY  31           HN       GLY  31   9.168   1.532  -2.953
  230   1HA   GLY  31          HA2       GLY  31   9.726   0.256  -1.035
  231   2HA   GLY  31          HA1       GLY  31  10.673   1.622  -0.442
  232    H    LYS  32           HN       LYS  32   7.440   2.289  -1.459
  233    HA   LYS  32           HA       LYS  32   6.469   2.190   1.372
  234   1HB   LYS  32          HB2       LYS  32   6.953   4.485  -0.431
  235   2HB   LYS  32          HB1       LYS  32   5.391   4.510   0.386
  236   1HG   LYS  32          HG2       LYS  32   6.327   4.930   2.404
  237   2HG   LYS  32          HG1       LYS  32   7.608   3.744   2.149
  238   1HD   LYS  32          HD2       LYS  32   7.915   6.033   0.379
  239   2HD   LYS  32          HD1       LYS  32   7.891   6.526   2.073
  240   1HE   LYS  32          HE2       LYS  32   9.592   4.668   2.511
  241   2HE   LYS  32          HE1       LYS  32   9.763   4.546   0.747
  242   1HZ   LYS  32          HZ1       LYS  32   9.809   7.210   1.963
  243   2HZ   LYS  32          HZ2       LYS  32  10.615   6.638   0.580
  244   3HZ   LYS  32          HZ3       LYS  32  11.196   6.248   2.128
  245    H    CYS  33           HN       CYS  33   4.005   2.543   1.400
  246    HA   CYS  33           HA       CYS  33   2.805   1.142  -0.961
  247   1HB   CYS  33          HB2       CYS  33   2.806   0.397   1.602
  248   2HB   CYS  33          HB1       CYS  33   1.419   1.482   1.664
  249    H    LYS  34           HN       LYS  34   1.503   2.349  -2.255
  250    HA   LYS  34           HA       LYS  34   0.614   5.033  -1.336
  251   1HB   LYS  34          HB2       LYS  34   0.214   3.741  -4.041
  252   2HB   LYS  34          HB1       LYS  34   0.330   5.459  -3.664
  253   1HG   LYS  34          HG2       LYS  34   2.677   5.286  -3.195
  254   2HG   LYS  34          HG1       LYS  34   2.619   3.524  -3.228
  255   1HD   LYS  34          HD2       LYS  34   3.075   3.572  -5.427
  256   2HD   LYS  34          HD1       LYS  34   1.551   4.418  -5.699
  257   1HE   LYS  34          HE2       LYS  34   3.153   6.453  -4.753
  258   2HE   LYS  34          HE1       LYS  34   4.297   5.483  -5.702
  259   1HZ   LYS  34          HZ1       LYS  34   1.802   6.781  -6.570
  260   2HZ   LYS  34          HZ2       LYS  34   2.320   5.369  -7.361
  261   3HZ   LYS  34          HZ3       LYS  34   3.315   6.746  -7.338
  262    H    CYS  35           HN       CYS  35  -1.243   4.710  -0.050
  263    HA   CYS  35           HA       CYS  35  -3.384   2.928  -1.116
  264   1HB   CYS  35          HB2       CYS  35  -2.750   4.204   1.552
  265   2HB   CYS  35          HB1       CYS  35  -4.293   3.405   1.248
  266    H    TYR  36           HN       TYR  36  -5.403   3.762  -1.686
  267    HA   TYR  36           HA       TYR  36  -5.921   6.674  -1.274
  268   1HB   TYR  36          HB2       TYR  36  -5.345   5.193  -3.772
  269   2HB   TYR  36          HB1       TYR  36  -6.751   6.253  -3.856
  270    HD1  TYR  36           HD1      TYR  36  -5.919   8.411  -1.964
  271    HD2  TYR  36           HD2      TYR  36  -3.710   6.358  -5.022
  272    HE1  TYR  36           HE1      TYR  36  -4.427  10.377  -2.206
  273    HE2  TYR  36           HE2      TYR  36  -2.216   8.323  -5.262
  274    HH   TYR  36           HH       TYR  36  -2.168  10.658  -4.814
  275    HA   PRO  37           HA       PRO  37 -10.125   5.527  -0.617
  276   1HB   PRO  37          HB2       PRO  37 -11.280   7.231  -2.627
  277   2HB   PRO  37          HB1       PRO  37 -11.161   7.524  -0.889
  278   1HG   PRO  37          HG2       PRO  37  -9.686   8.800  -2.999
  279   2HG   PRO  37          HG1       PRO  37  -9.580   9.100  -1.262
  280   1HD   PRO  37          HD2       PRO  37  -7.638   7.797  -2.939
  281   2HD   PRO  37          HD1       PRO  37  -7.556   8.060  -1.179
  Start of MODEL   27
    1   1H    VAL   1          HT1       VAL   1  -2.182   9.893   0.765
    2   2H    VAL   1          HT2       VAL   1  -0.877  10.344   1.755
    3   3H    VAL   1          HT3       VAL   1  -2.455  10.830   2.152
    4    HA   VAL   1           HA       VAL   1  -1.987   9.044   3.603
    5    HB   VAL   1           HB       VAL   1  -3.598   8.327   1.140
    6   1HG1  VAL   1          HG11      VAL   1  -4.694   6.786   3.052
    7   2HG1  VAL   1          HG12      VAL   1  -3.022   6.772   3.616
    8   3HG1  VAL   1          HG13      VAL   1  -3.411   6.199   1.995
    9   1HG2  VAL   1          HG21      VAL   1  -4.800   8.877   3.805
   10   2HG2  VAL   1          HG22      VAL   1  -5.360   9.349   2.201
   11   3HG2  VAL   1          HG23      VAL   1  -4.060  10.249   2.983
   12    H    PHE   2           HN       PHE   2   0.490   8.956   2.690
   13    HA   PHE   2           HA       PHE   2   0.898   6.313   1.338
   14   1HB   PHE   2          HB2       PHE   2   2.449   8.885   1.595
   15   2HB   PHE   2          HB1       PHE   2   3.281   7.395   1.159
   16    HD1  PHE   2           HD1      PHE   2   3.733   8.922  -0.949
   17    HD2  PHE   2           HD2      PHE   2  -0.095   7.254   0.065
   18    HE1  PHE   2           HE1      PHE   2   2.990   9.195  -3.299
   19    HE2  PHE   2           HE2      PHE   2  -0.836   7.527  -2.285
   20    HZ   PHE   2           HZ       PHE   2   0.706   8.499  -3.967
   21    H    ILE   3           HN       ILE   3   2.253   4.761   2.358
   22    HA   ILE   3           HA       ILE   3   2.953   5.374   5.212
   23    HB   ILE   3           HB       ILE   3   2.558   2.599   4.135
   24   1HG1  ILE   3          HG12      ILE   3   0.306   4.459   4.975
   25   2HG1  ILE   3          HG11      ILE   3   0.603   3.912   3.325
   26   1HG2  ILE   3          HG21      ILE   3   2.269   4.036   6.765
   27   2HG2  ILE   3          HG22      ILE   3   3.248   2.619   6.381
   28   3HG2  ILE   3          HG23      ILE   3   1.495   2.473   6.505
   29   1HD1  ILE   3          HD11      ILE   3   0.603   1.547   4.763
   30   2HD1  ILE   3          HD12      ILE   3  -0.754   2.171   3.825
   31   3HD1  ILE   3          HD13      ILE   3  -0.658   2.491   5.557
   32    H    ASN   4           HN       ASN   4   4.863   4.125   6.011
   33    HA   ASN   4           HA       ASN   4   6.889   3.728   3.834
   34   1HB   ASN   4          HB2       ASN   4   8.506   4.456   5.587
   35   2HB   ASN   4          HB1       ASN   4   7.275   5.681   5.279
   36   1HD2  ASN   4          HD21      ASN   4   5.628   6.028   6.935
   37   2HD2  ASN   4          HD22      ASN   4   5.808   5.408   8.504
   38    H    ALA   5           HN       ALA   5   5.252   1.559   4.520
   39    HA   ALA   5           HA       ALA   5   6.555  -0.068   6.589
   40   1HB   ALA   5          HB1       ALA   5   4.890  -1.693   5.091
   41   2HB   ALA   5          HB2       ALA   5   4.179  -0.096   4.856
   42   3HB   ALA   5          HB3       ALA   5   4.383  -0.739   6.486
   43    H    LYS   6           HN       LYS   6   7.778   0.862   3.781
   44    HA   LYS   6           HA       LYS   6   9.263  -0.087   2.201
   45   1HB   LYS   6          HB2       LYS   6   9.858  -0.857   4.799
   46   2HB   LYS   6          HB1       LYS   6   9.865  -2.382   3.914
   47   1HG   LYS   6          HG2       LYS   6  12.101  -1.401   3.843
   48   2HG   LYS   6          HG1       LYS   6  11.391  -1.361   2.228
   49   1HD   LYS   6          HD2       LYS   6  10.605   1.005   2.775
   50   2HD   LYS   6          HD1       LYS   6  11.652   0.923   4.190
   51   1HE   LYS   6          HE2       LYS   6  13.337   0.043   2.188
   52   2HE   LYS   6          HE1       LYS   6  12.379   1.289   1.363
   53   1HZ   LYS   6          HZ1       LYS   6  12.839   2.833   3.104
   54   2HZ   LYS   6          HZ2       LYS   6  14.325   2.183   2.597
   55   3HZ   LYS   6          HZ3       LYS   6  13.610   1.648   4.042
   56    H    CYS   7           HN       CYS   7   7.019  -0.702   1.158
   57    HA   CYS   7           HA       CYS   7   5.954  -3.311   1.260
   58   1HB   CYS   7          HB2       CYS   7   5.152  -2.735  -1.052
   59   2HB   CYS   7          HB1       CYS   7   4.891  -1.438   0.114
   60    H    ARG   8           HN       ARG   8   6.161  -4.858  -0.783
   61    HA   ARG   8           HA       ARG   8   9.077  -5.408  -1.102
   62   1HB   ARG   8          HB2       ARG   8   6.561  -6.950  -0.891
   63   2HB   ARG   8          HB1       ARG   8   7.736  -7.597  -2.039
   64   1HG   ARG   8          HG2       ARG   8   9.349  -6.970   0.082
   65   2HG   ARG   8          HG1       ARG   8   7.867  -7.457   0.905
   66   1HD   ARG   8          HD2       ARG   8   8.960  -9.520   0.645
   67   2HD   ARG   8          HD1       ARG   8   7.952  -9.477  -0.815
   68    HE   ARG   8           HE       ARG   8   9.907  -9.087  -2.106
   69   1HH1  ARG   8          HH11      ARG   8  10.757  -9.920   1.011
   70   2HH1  ARG   8          HH12      ARG   8  12.336  -9.207   0.973
   71   1HH2  ARG   8          HH21      ARG   8  11.826  -7.608  -2.064
   72   2HH2  ARG   8          HH22      ARG   8  12.939  -7.896  -0.768
   73    H    GLY   9           HN       GLY   9   6.072  -5.116  -3.023
   74   1HA   GLY   9          HA2       GLY   9   7.576  -4.125  -5.302
   75   2HA   GLY   9          HA1       GLY   9   7.009  -5.775  -5.555
   76    H    SER  10           HN       SER  10   4.522  -5.609  -4.206
   77    HA   SER  10           HA       SER  10   2.877  -3.405  -4.813
   78   1HB   SER  10          HB2       SER  10   3.844  -4.894  -7.116
   79   2HB   SER  10          HB1       SER  10   2.084  -4.893  -7.056
   80    HG   SER  10           HG       SER  10   2.658  -3.036  -8.083
   81    HA   PRO  11           HA       PRO  11   0.097  -7.404  -4.868
   82   1HB   PRO  11          HB2       PRO  11   1.836  -9.619  -4.274
   83   2HB   PRO  11          HB1       PRO  11   0.856  -9.360  -5.720
   84   1HG   PRO  11          HG2       PRO  11   3.714  -9.165  -5.460
   85   2HG   PRO  11          HG1       PRO  11   2.735  -8.944  -6.912
   86   1HD   PRO  11          HD2       PRO  11   4.124  -6.930  -5.420
   87   2HD   PRO  11          HD1       PRO  11   3.069  -6.695  -6.833
   88    H    GLU  12           HN       GLU  12   2.735  -6.606  -2.812
   89    HA   GLU  12           HA       GLU  12   1.540  -7.957  -0.450
   90   1HB   GLU  12          HB2       GLU  12   4.138  -6.771  -1.265
   91   2HB   GLU  12          HB1       GLU  12   3.729  -6.624   0.445
   92   1HG   GLU  12          HG2       GLU  12   4.767  -8.701   0.441
   93   2HG   GLU  12          HG1       GLU  12   3.090  -9.182   0.180
   94    H    CYS  13           HN       CYS  13   1.754  -4.815  -1.947
   95    HA   CYS  13           HA       CYS  13   1.208  -3.247   0.441
   96   1HB   CYS  13          HB2       CYS  13   1.759  -2.904  -2.369
   97   2HB   CYS  13          HB1       CYS  13   0.383  -1.899  -1.911
   98    H    LEU  14           HN       LEU  14  -0.814  -4.292  -2.337
   99    HA   LEU  14           HA       LEU  14  -3.260  -3.176  -1.737
  100   1HB   LEU  14          HB2       LEU  14  -2.222  -5.443  -3.153
  101   2HB   LEU  14          HB1       LEU  14  -3.707  -5.926  -2.337
  102    HG   LEU  14           HG       LEU  14  -4.046  -3.303  -3.485
  103   1HD1  LEU  14          HD11      LEU  14  -2.404  -3.818  -5.138
  104   2HD1  LEU  14          HD12      LEU  14  -3.959  -4.154  -5.900
  105   3HD1  LEU  14          HD13      LEU  14  -2.972  -5.481  -5.288
  106   1HD2  LEU  14          HD21      LEU  14  -5.895  -4.775  -2.927
  107   2HD2  LEU  14          HD22      LEU  14  -5.272  -6.032  -3.995
  108   3HD2  LEU  14          HD23      LEU  14  -5.900  -4.530  -4.674
  109    HA   PRO  15           HA       PRO  15  -4.234  -6.715   1.440
  110   1HB   PRO  15          HB2       PRO  15  -1.711  -7.725   2.382
  111   2HB   PRO  15          HB1       PRO  15  -2.979  -8.603   1.524
  112   1HG   PRO  15          HG2       PRO  15  -0.412  -7.810   0.527
  113   2HG   PRO  15          HG1       PRO  15  -1.689  -8.674  -0.333
  114   1HD   PRO  15          HD2       PRO  15  -0.838  -5.941  -0.699
  115   2HD   PRO  15          HD1       PRO  15  -2.112  -6.818  -1.580
  116    H    LYS  16           HN       LYS  16  -0.931  -5.468   2.129
  117    HA   LYS  16           HA       LYS  16  -1.288  -4.752   4.822
  118   1HB   LYS  16          HB2       LYS  16   0.267  -3.454   2.560
  119   2HB   LYS  16          HB1       LYS  16   0.498  -3.038   4.260
  120   1HG   LYS  16          HG2       LYS  16   0.933  -5.744   2.969
  121   2HG   LYS  16          HG1       LYS  16   2.158  -4.696   3.684
  122   1HD   LYS  16          HD2       LYS  16   0.489  -4.927   5.794
  123   2HD   LYS  16          HD1       LYS  16   0.183  -6.477   5.008
  124   1HE   LYS  16          HE2       LYS  16   2.028  -7.088   6.269
  125   2HE   LYS  16          HE1       LYS  16   2.885  -6.440   4.856
  126   1HZ   LYS  16          HZ1       LYS  16   3.403  -4.525   5.919
  127   2HZ   LYS  16          HZ2       LYS  16   3.285  -5.508   7.299
  128   3HZ   LYS  16          HZ3       LYS  16   1.983  -4.513   6.847
  129    H    CYS  17           HN       CYS  17  -2.214  -2.983   1.885
  130    HA   CYS  17           HA       CYS  17  -3.056  -0.556   3.197
  131   1HB   CYS  17          HB2       CYS  17  -2.506  -0.987   0.744
  132   2HB   CYS  17          HB1       CYS  17  -4.080  -1.773   0.614
  133    H    LYS  18           HN       LYS  18  -4.703  -3.581   2.326
  134    HA   LYS  18           HA       LYS  18  -7.383  -2.805   2.931
  135   1HB   LYS  18          HB2       LYS  18  -6.166  -4.962   1.893
  136   2HB   LYS  18          HB1       LYS  18  -6.379  -5.554   3.541
  137   1HG   LYS  18          HG2       LYS  18  -8.812  -4.923   3.375
  138   2HG   LYS  18          HG1       LYS  18  -8.545  -4.561   1.669
  139   1HD   LYS  18          HD2       LYS  18  -7.813  -6.863   1.265
  140   2HD   LYS  18          HD1       LYS  18  -7.993  -7.241   2.977
  141   1HE   LYS  18          HE2       LYS  18 -10.447  -6.071   2.024
  142   2HE   LYS  18          HE1       LYS  18  -9.991  -7.425   0.970
  143   1HZ   LYS  18          HZ1       LYS  18 -10.184  -7.451   3.935
  144   2HZ   LYS  18          HZ2       LYS  18  -9.503  -8.711   3.021
  145   3HZ   LYS  18          HZ3       LYS  18 -11.147  -8.321   2.843
  146    H    GLU  19           HN       GLU  19  -4.671  -3.721   4.974
  147    HA   GLU  19           HA       GLU  19  -6.409  -3.927   7.376
  148   1HB   GLU  19          HB2       GLU  19  -3.395  -4.124   7.227
  149   2HB   GLU  19          HB1       GLU  19  -4.482  -4.888   8.386
  150   1HG   GLU  19          HG2       GLU  19  -5.461  -6.208   6.465
  151   2HG   GLU  19          HG1       GLU  19  -4.172  -5.564   5.448
  152    H    ALA  20           HN       ALA  20  -4.189  -1.715   5.816
  153    HA   ALA  20           HA       ALA  20  -3.631  -0.065   8.137
  154   1HB   ALA  20          HB1       ALA  20  -2.759   1.466   6.384
  155   2HB   ALA  20          HB2       ALA  20  -3.521   0.464   5.148
  156   3HB   ALA  20          HB3       ALA  20  -2.208  -0.190   6.129
  157    H    ILE  21           HN       ILE  21  -5.869   0.281   5.354
  158    HA   ILE  21           HA       ILE  21  -7.334   2.372   6.930
  159    HB   ILE  21           HB       ILE  21  -7.914   3.315   4.770
  160   1HG1  ILE  21          HG12      ILE  21  -6.615   0.808   3.659
  161   2HG1  ILE  21          HG11      ILE  21  -8.312   1.264   3.524
  162   1HG2  ILE  21          HG21      ILE  21  -5.392   3.270   5.785
  163   2HG2  ILE  21          HG22      ILE  21  -5.846   4.193   4.353
  164   3HG2  ILE  21          HG23      ILE  21  -5.097   2.606   4.178
  165   1HD1  ILE  21          HD11      ILE  21  -7.499   3.385   2.342
  166   2HD1  ILE  21          HD12      ILE  21  -7.325   1.878   1.442
  167   3HD1  ILE  21          HD13      ILE  21  -5.924   2.598   2.236
  168    H    GLY  22           HN       GLY  22  -7.620  -0.621   5.087
  169   1HA   GLY  22          HA2       GLY  22  -9.434  -2.177   5.736
  170   2HA   GLY  22          HA1       GLY  22 -10.474  -0.772   5.962
  171    H    LYS  23           HN       LYS  23  -8.416  -0.590   3.227
  172    HA   LYS  23           HA       LYS  23 -10.559  -1.644   1.428
  173   1HB   LYS  23          HB2       LYS  23 -10.794   0.825   1.875
  174   2HB   LYS  23          HB1       LYS  23  -9.194   1.053   1.169
  175   1HG   LYS  23          HG2       LYS  23  -9.911   0.371  -0.976
  176   2HG   LYS  23          HG1       LYS  23 -11.370  -0.390  -0.341
  177   1HD   LYS  23          HD2       LYS  23 -12.497   1.522  -0.697
  178   2HD   LYS  23          HD1       LYS  23 -11.442   2.335   0.460
  179   1HE   LYS  23          HE2       LYS  23 -10.265   3.379  -1.188
  180   2HE   LYS  23          HE1       LYS  23 -10.199   1.911  -2.184
  181   1HZ   LYS  23          HZ1       LYS  23 -12.740   2.335  -2.391
  182   2HZ   LYS  23          HZ2       LYS  23 -11.662   3.198  -3.382
  183   3HZ   LYS  23          HZ3       LYS  23 -12.329   3.933  -2.003
  184    H    ALA  24           HN       ALA  24  -9.559  -3.074   0.079
  185    HA   ALA  24           HA       ALA  24  -6.689  -3.199  -0.259
  186   1HB   ALA  24          HB1       ALA  24  -9.119  -4.638  -1.017
  187   2HB   ALA  24          HB2       ALA  24  -7.503  -5.270  -0.696
  188   3HB   ALA  24          HB3       ALA  24  -7.910  -4.659  -2.300
  189    H    ALA  25           HN       ALA  25  -6.738  -0.734  -0.949
  190    HA   ALA  25           HA       ALA  25  -6.720  -0.676  -3.939
  191   1HB   ALA  25          HB1       ALA  25  -7.649   1.738  -2.460
  192   2HB   ALA  25          HB2       ALA  25  -8.753   0.362  -2.489
  193   3HB   ALA  25          HB3       ALA  25  -8.204   1.085  -4.002
  194    H    GLY  26           HN       GLY  26  -4.329  -0.989  -3.086
  195   1HA   GLY  26          HA2       GLY  26  -3.097   1.700  -3.079
  196   2HA   GLY  26          HA1       GLY  26  -2.707   0.648  -1.717
  197    H    LYS  27           HN       LYS  27  -0.619   1.424  -3.289
  198    HA   LYS  27           HA       LYS  27   0.116  -1.137  -4.635
  199   1HB   LYS  27          HB2       LYS  27   0.711   1.568  -5.848
  200   2HB   LYS  27          HB1       LYS  27   0.752  -0.012  -6.630
  201   1HG   LYS  27          HG2       LYS  27  -1.652  -0.196  -6.552
  202   2HG   LYS  27          HG1       LYS  27  -1.782   1.247  -5.546
  203   1HD   LYS  27          HD2       LYS  27  -0.672   1.206  -8.367
  204   2HD   LYS  27          HD1       LYS  27  -2.304   1.716  -7.935
  205   1HE   LYS  27          HE2       LYS  27  -1.344   3.490  -6.469
  206   2HE   LYS  27          HE1       LYS  27   0.283   3.007  -6.992
  207   1HZ   LYS  27          HZ1       LYS  27  -0.882   4.839  -8.318
  208   2HZ   LYS  27          HZ2       LYS  27  -1.848   3.594  -8.954
  209   3HZ   LYS  27          HZ3       LYS  27  -0.166   3.573  -9.190
  210    H    CYS  28           HN       CYS  28   2.570  -1.068  -5.134
  211    HA   CYS  28           HA       CYS  28   3.968   0.283  -2.852
  212   1HB   CYS  28          HB2       CYS  28   4.130  -2.082  -2.670
  213   2HB   CYS  28          HB1       CYS  28   4.362  -2.281  -4.405
  214    H    MET  29           HN       MET  29   5.547   1.777  -3.377
  215    HA   MET  29           HA       MET  29   6.805   1.694  -6.066
  216   1HB   MET  29          HB2       MET  29   4.559   3.275  -5.433
  217   2HB   MET  29          HB1       MET  29   5.931   4.385  -5.423
  218   1HG   MET  29          HG2       MET  29   5.775   2.419  -7.662
  219   2HG   MET  29          HG1       MET  29   4.639   3.767  -7.686
  220   1HE   MET  29          HE1       MET  29   6.420   3.520 -10.025
  221   2HE   MET  29          HE2       MET  29   7.650   2.613  -9.149
  222   3HE   MET  29          HE3       MET  29   8.082   4.121  -9.950
  223    H    ASN  30           HN       ASN  30   8.932   2.311  -5.906
  224    HA   ASN  30           HA       ASN  30  10.926   3.177  -4.984
  225   1HB   ASN  30          HB2       ASN  30   8.710   4.983  -4.276
  226   2HB   ASN  30          HB1       ASN  30  10.105   5.116  -3.204
  227   1HD2  ASN  30          HD21      ASN  30  12.318   5.125  -4.543
  228   2HD2  ASN  30          HD22      ASN  30  12.318   6.121  -5.919
  229    H    GLY  31           HN       GLY  31   8.940   1.211  -3.422
  230   1HA   GLY  31          HA2       GLY  31   9.558  -0.197  -1.583
  231   2HA   GLY  31          HA1       GLY  31  10.729   1.021  -1.076
  232    H    LYS  32           HN       LYS  32   7.428   1.887  -1.865
  233    HA   LYS  32           HA       LYS  32   6.773   2.108   1.045
  234   1HB   LYS  32          HB2       LYS  32   6.270   4.329  -0.945
  235   2HB   LYS  32          HB1       LYS  32   6.274   4.424   0.817
  236   1HG   LYS  32          HG2       LYS  32   8.752   3.740   0.678
  237   2HG   LYS  32          HG1       LYS  32   8.638   4.118  -1.041
  238   1HD   LYS  32          HD2       LYS  32   9.128   6.243  -0.425
  239   2HD   LYS  32          HD1       LYS  32   7.455   6.321   0.128
  240   1HE   LYS  32          HE2       LYS  32   8.848   7.023   1.982
  241   2HE   LYS  32          HE1       LYS  32   8.285   5.383   2.362
  242   1HZ   LYS  32          HZ1       LYS  32  10.293   4.452   1.614
  243   2HZ   LYS  32          HZ2       LYS  32  10.759   5.776   2.571
  244   3HZ   LYS  32          HZ3       LYS  32  10.797   5.895   0.877
  245    H    CYS  33           HN       CYS  33   4.365   2.611   1.315
  246    HA   CYS  33           HA       CYS  33   2.824   1.207  -0.836
  247   1HB   CYS  33          HB2       CYS  33   3.082   0.632   1.804
  248   2HB   CYS  33          HB1       CYS  33   1.672   1.691   1.860
  249    H    LYS  34           HN       LYS  34   1.654   2.580  -2.103
  250    HA   LYS  34           HA       LYS  34   0.720   5.169  -0.913
  251   1HB   LYS  34          HB2       LYS  34   1.147   4.317  -3.796
  252   2HB   LYS  34          HB1       LYS  34   0.768   5.947  -3.243
  253   1HG   LYS  34          HG2       LYS  34   2.868   6.212  -2.197
  254   2HG   LYS  34          HG1       LYS  34   3.187   4.477  -2.206
  255   1HD   LYS  34          HD2       LYS  34   4.519   5.565  -3.948
  256   2HD   LYS  34          HD1       LYS  34   3.294   4.538  -4.692
  257   1HE   LYS  34          HE2       LYS  34   1.885   6.843  -4.540
  258   2HE   LYS  34          HE1       LYS  34   3.524   7.505  -4.703
  259   1HZ   LYS  34          HZ1       LYS  34   3.786   5.705  -6.495
  260   2HZ   LYS  34          HZ2       LYS  34   2.906   7.104  -6.890
  261   3HZ   LYS  34          HZ3       LYS  34   2.091   5.662  -6.511
  262    H    CYS  35           HN       CYS  35  -1.360   4.711  -0.160
  263    HA   CYS  35           HA       CYS  35  -3.209   3.159  -1.907
  264   1HB   CYS  35          HB2       CYS  35  -3.281   4.144   0.958
  265   2HB   CYS  35          HB1       CYS  35  -4.629   3.300   0.195
  266    H    TYR  36           HN       TYR  36  -5.463   4.072  -2.120
  267    HA   TYR  36           HA       TYR  36  -5.643   7.037  -1.930
  268   1HB   TYR  36          HB2       TYR  36  -5.506   5.334  -4.392
  269   2HB   TYR  36          HB1       TYR  36  -6.546   6.758  -4.422
  270    HD1  TYR  36           HD1      TYR  36  -5.584   9.021  -3.977
  271    HD2  TYR  36           HD2      TYR  36  -3.113   5.535  -4.404
  272    HE1  TYR  36           HE1      TYR  36  -3.604  10.469  -4.333
  273    HE2  TYR  36           HE2      TYR  36  -1.131   6.983  -4.759
  274    HH   TYR  36           HH       TYR  36  -1.298  10.461  -4.321
  275    HA   PRO  37           HA       PRO  37  -9.541   5.005  -0.605
  276   1HB   PRO  37          HB2       PRO  37 -10.194   7.533   0.603
  277   2HB   PRO  37          HB1       PRO  37  -9.735   6.029   1.408
  278   1HG   PRO  37          HG2       PRO  37  -8.178   8.429   1.130
  279   2HG   PRO  37          HG1       PRO  37  -7.734   6.931   1.953
  280   1HD   PRO  37          HD2       PRO  37  -6.696   7.945  -0.533
  281   2HD   PRO  37          HD1       PRO  37  -6.283   6.412   0.273
  Start of MODEL   28
    1   1H    VAL   1          HT1       VAL   1  -2.622   8.194   0.786
    2   2H    VAL   1          HT2       VAL   1  -1.384   9.353   0.679
    3   3H    VAL   1          HT3       VAL   1  -2.815   9.710   1.521
    4    HA   VAL   1           HA       VAL   1  -0.780   9.117   2.918
    5    HB   VAL   1           HB       VAL   1  -2.964   9.322   3.857
    6   1HG1  VAL   1          HG11      VAL   1  -4.708   7.614   3.535
    7   2HG1  VAL   1          HG12      VAL   1  -3.609   6.669   2.532
    8   3HG1  VAL   1          HG13      VAL   1  -4.170   8.248   1.980
    9   1HG2  VAL   1          HG21      VAL   1  -1.861   6.547   4.393
   10   2HG2  VAL   1          HG22      VAL   1  -3.111   7.316   5.371
   11   3HG2  VAL   1          HG23      VAL   1  -1.497   8.022   5.290
   12    H    PHE   2           HN       PHE   2   0.935   7.794   2.341
   13    HA   PHE   2           HA       PHE   2   0.372   4.968   1.552
   14   1HB   PHE   2          HB2       PHE   2   3.008   6.458   1.543
   15   2HB   PHE   2          HB1       PHE   2   2.556   5.055   0.578
   16    HD1  PHE   2           HD1      PHE   2  -0.336   6.204   0.061
   17    HD2  PHE   2           HD2      PHE   2   3.632   7.762  -0.449
   18    HE1  PHE   2           HE1      PHE   2  -1.158   7.698  -1.733
   19    HE2  PHE   2           HE2      PHE   2   2.813   9.260  -2.246
   20    HZ   PHE   2           HZ       PHE   2   0.417   9.230  -2.892
   21    H    ILE   3           HN       ILE   3   2.019   3.355   2.485
   22    HA   ILE   3           HA       ILE   3   2.275   3.846   5.416
   23    HB   ILE   3           HB       ILE   3   2.852   1.246   4.014
   24   1HG1  ILE   3          HG12      ILE   3   0.668   2.245   3.113
   25   2HG1  ILE   3          HG11      ILE   3   0.527   0.670   3.888
   26   1HG2  ILE   3          HG21      ILE   3   2.317   2.210   6.713
   27   2HG2  ILE   3          HG22      ILE   3   3.029   0.685   6.190
   28   3HG2  ILE   3          HG23      ILE   3   1.275   0.855   6.279
   29   1HD1  ILE   3          HD11      ILE   3   0.159   3.189   5.492
   30   2HD1  ILE   3          HD12      ILE   3  -0.439   1.565   5.830
   31   3HD1  ILE   3          HD13      ILE   3  -1.174   2.527   4.546
   32    H    ASN   4           HN       ASN   4   4.343   3.035   6.423
   33    HA   ASN   4           HA       ASN   4   6.671   3.617   4.628
   34   1HB   ASN   4          HB2       ASN   4   7.739   4.489   6.590
   35   2HB   ASN   4          HB1       ASN   4   6.085   5.099   6.636
   36   1HD2  ASN   4          HD21      ASN   4   8.373   3.790   8.629
   37   2HD2  ASN   4          HD22      ASN   4   7.369   3.011   9.754
   38    H    ALA   5           HN       ALA   5   5.508   1.025   4.652
   39    HA   ALA   5           HA       ALA   5   7.223  -0.639   6.419
   40   1HB   ALA   5          HB1       ALA   5   5.653  -2.312   4.909
   41   2HB   ALA   5          HB2       ALA   5   4.682  -0.840   4.924
   42   3HB   ALA   5          HB3       ALA   5   5.152  -1.603   6.444
   43    H    LYS   6           HN       LYS   6   7.961   0.898   3.732
   44    HA   LYS   6           HA       LYS   6   9.262   0.427   1.800
   45   1HB   LYS   6          HB2       LYS   6  10.216  -1.254   4.092
   46   2HB   LYS   6          HB1       LYS   6  10.955  -1.502   2.509
   47   1HG   LYS   6          HG2       LYS   6  10.656   1.256   3.697
   48   2HG   LYS   6          HG1       LYS   6  12.056   0.242   4.052
   49   1HD   LYS   6          HD2       LYS   6  12.324  -0.022   1.520
   50   2HD   LYS   6          HD1       LYS   6  11.158   1.293   1.362
   51   1HE   LYS   6          HE2       LYS   6  12.635   2.879   2.175
   52   2HE   LYS   6          HE1       LYS   6  13.473   1.712   3.217
   53   1HZ   LYS   6          HZ1       LYS   6  14.516   0.722   1.364
   54   2HZ   LYS   6          HZ2       LYS   6  14.715   2.398   1.154
   55   3HZ   LYS   6          HZ3       LYS   6  13.539   1.560   0.258
   56    H    CYS   7           HN       CYS   7   6.882  -0.591   1.250
   57    HA   CYS   7           HA       CYS   7   6.320  -3.291   1.087
   58   1HB   CYS   7          HB2       CYS   7   5.154  -2.649  -1.055
   59   2HB   CYS   7          HB1       CYS   7   4.838  -1.545   0.285
   60    H    ARG   8           HN       ARG   8   7.178  -5.038   0.027
   61    HA   ARG   8           HA       ARG   8   9.569  -4.596  -1.691
   62   1HB   ARG   8          HB2       ARG   8   8.362  -6.865  -0.114
   63   2HB   ARG   8          HB1       ARG   8   9.587  -7.193  -1.340
   64   1HG   ARG   8          HG2       ARG   8  11.249  -6.401  -0.029
   65   2HG   ARG   8          HG1       ARG   8  10.325  -4.958   0.393
   66   1HD   ARG   8          HD2       ARG   8   8.933  -6.590   1.902
   67   2HD   ARG   8          HD1       ARG   8  10.355  -7.642   1.763
   68    HE   ARG   8           HE       ARG   8  10.249  -5.237   3.328
   69   1HH1  ARG   8          HH21      ARG   8  12.249  -7.561   1.891
   70   2HH1  ARG   8          HH22      ARG   8  13.723  -6.688   2.147
   71   1HH2  ARG   8          HH11      ARG   8  12.137  -3.839   3.330
   72   2HH2  ARG   8          HH12      ARG   8  13.659  -4.578   2.961
   73    H    GLY   9           HN       GLY   9   6.247  -5.670  -1.807
   74   1HA   GLY   9          HA2       GLY   9   6.568  -6.152  -4.736
   75   2HA   GLY   9          HA1       GLY   9   5.620  -7.264  -3.748
   76    H    SER  10           HN       SER  10   4.846  -5.377  -5.996
   77    HA   SER  10           HA       SER  10   3.329  -3.181  -5.025
   78   1HB   SER  10          HB2       SER  10   3.288  -3.043  -7.280
   79   2HB   SER  10          HB1       SER  10   3.695  -4.748  -7.442
   80    HG   SER  10           HG       SER  10   1.702  -4.830  -8.160
   81    HA   PRO  11           HA       PRO  11  -0.456  -6.223  -4.958
   82   1HB   PRO  11          HB2       PRO  11   0.600  -8.868  -4.545
   83   2HB   PRO  11          HB1       PRO  11  -0.342  -8.271  -5.914
   84   1HG   PRO  11          HG2       PRO  11   2.432  -8.953  -5.879
   85   2HG   PRO  11          HG1       PRO  11   1.501  -8.293  -7.226
   86   1HD   PRO  11          HD2       PRO  11   3.504  -6.967  -5.611
   87   2HD   PRO  11          HD1       PRO  11   2.627  -6.325  -7.020
   88    H    GLU  12           HN       GLU  12   2.463  -6.530  -3.074
   89    HA   GLU  12           HA       GLU  12   1.288  -7.699  -0.701
   90   1HB   GLU  12          HB2       GLU  12   3.812  -6.869  -1.674
   91   2HB   GLU  12          HB1       GLU  12   3.537  -5.958  -0.189
   92   1HG   GLU  12          HG2       GLU  12   2.661  -8.451   0.537
   93   2HG   GLU  12          HG1       GLU  12   3.983  -8.849  -0.562
   94    H    CYS  13           HN       CYS  13   1.627  -4.397  -1.924
   95    HA   CYS  13           HA       CYS  13   0.945  -3.036   0.514
   96   1HB   CYS  13          HB2       CYS  13   1.946  -2.252  -1.793
   97   2HB   CYS  13          HB1       CYS  13   0.253  -2.033  -2.239
   98    H    LEU  14           HN       LEU  14  -0.977  -4.568  -2.019
   99    HA   LEU  14           HA       LEU  14  -3.505  -3.428  -1.601
  100   1HB   LEU  14          HB2       LEU  14  -2.333  -5.824  -2.713
  101   2HB   LEU  14          HB1       LEU  14  -3.848  -6.220  -1.900
  102    HG   LEU  14           HG       LEU  14  -4.634  -3.988  -3.175
  103   1HD1  LEU  14          HD11      LEU  14  -2.975  -3.301  -4.564
  104   2HD1  LEU  14          HD12      LEU  14  -3.472  -4.655  -5.579
  105   3HD1  LEU  14          HD13      LEU  14  -2.125  -4.842  -4.456
  106   1HD2  LEU  14          HD21      LEU  14  -6.007  -5.507  -4.121
  107   2HD2  LEU  14          HD22      LEU  14  -4.971  -6.777  -3.469
  108   3HD2  LEU  14          HD23      LEU  14  -4.686  -6.154  -5.095
  109    HA   PRO  15           HA       PRO  15  -4.298  -6.668   1.957
  110   1HB   PRO  15          HB2       PRO  15  -1.693  -7.446   2.911
  111   2HB   PRO  15          HB1       PRO  15  -2.950  -8.479   2.222
  112   1HG   PRO  15          HG2       PRO  15  -0.468  -7.625   1.009
  113   2HG   PRO  15          HG1       PRO  15  -1.672  -8.749   0.373
  114   1HD   PRO  15          HD2       PRO  15  -1.127  -6.120  -0.574
  115   2HD   PRO  15          HD1       PRO  15  -2.470  -7.175  -1.070
  116    H    LYS  16           HN       LYS  16  -1.177  -4.905   2.085
  117    HA   LYS  16           HA       LYS  16  -1.350  -3.984   4.774
  118   1HB   LYS  16          HB2       LYS  16  -0.080  -3.023   2.211
  119   2HB   LYS  16          HB1       LYS  16   0.063  -2.061   3.683
  120   1HG   LYS  16          HG2       LYS  16   0.728  -5.004   3.661
  121   2HG   LYS  16          HG1       LYS  16   1.926  -3.788   3.214
  122   1HD   LYS  16          HD2       LYS  16   1.427  -2.632   5.413
  123   2HD   LYS  16          HD1       LYS  16   0.468  -4.044   5.857
  124   1HE   LYS  16          HE2       LYS  16   2.335  -5.205   6.408
  125   2HE   LYS  16          HE1       LYS  16   3.080  -4.840   4.839
  126   1HZ   LYS  16          HZ1       LYS  16   3.043  -3.154   7.275
  127   2HZ   LYS  16          HZ2       LYS  16   3.412  -2.522   5.742
  128   3HZ   LYS  16          HZ3       LYS  16   4.394  -3.729   6.426
  129    H    CYS  17           HN       CYS  17  -2.808  -2.826   1.777
  130    HA   CYS  17           HA       CYS  17  -3.789  -0.302   2.775
  131   1HB   CYS  17          HB2       CYS  17  -3.542  -1.527   0.367
  132   2HB   CYS  17          HB1       CYS  17  -5.258  -1.807   0.667
  133    H    LYS  18           HN       LYS  18  -5.162  -3.582   2.580
  134    HA   LYS  18           HA       LYS  18  -7.797  -2.887   3.531
  135   1HB   LYS  18          HB2       LYS  18  -6.909  -4.960   2.270
  136   2HB   LYS  18          HB1       LYS  18  -6.376  -5.537   3.850
  137   1HG   LYS  18          HG2       LYS  18  -8.777  -5.108   4.642
  138   2HG   LYS  18          HG1       LYS  18  -9.196  -4.954   2.936
  139   1HD   LYS  18          HD2       LYS  18  -9.118  -7.188   2.626
  140   2HD   LYS  18          HD1       LYS  18  -7.552  -7.309   3.430
  141   1HE   LYS  18          HE2       LYS  18  -9.823  -6.761   5.250
  142   2HE   LYS  18          HE1       LYS  18  -9.850  -8.355   4.470
  143   1HZ   LYS  18          HZ1       LYS  18  -7.252  -7.435   5.385
  144   2HZ   LYS  18          HZ2       LYS  18  -7.944  -8.985   5.462
  145   3HZ   LYS  18          HZ3       LYS  18  -8.361  -7.808   6.613
  146    H    GLU  19           HN       GLU  19  -4.735  -3.376   5.108
  147    HA   GLU  19           HA       GLU  19  -6.058  -3.657   7.773
  148   1HB   GLU  19          HB2       GLU  19  -4.094  -5.093   6.688
  149   2HB   GLU  19          HB1       GLU  19  -3.101  -3.776   7.313
  150   1HG   GLU  19          HG2       GLU  19  -3.924  -4.133   9.560
  151   2HG   GLU  19          HG1       GLU  19  -5.105  -5.311   8.988
  152    H    ALA  20           HN       ALA  20  -4.625  -1.315   5.747
  153    HA   ALA  20           HA       ALA  20  -3.894   0.416   8.081
  154   1HB   ALA  20          HB1       ALA  20  -3.218   0.872   5.172
  155   2HB   ALA  20          HB2       ALA  20  -2.279  -0.247   6.160
  156   3HB   ALA  20          HB3       ALA  20  -2.363   1.459   6.600
  157    H    ILE  21           HN       ILE  21  -5.365   0.674   4.815
  158    HA   ILE  21           HA       ILE  21  -6.940   3.023   5.791
  159    HB   ILE  21           HB       ILE  21  -5.460   3.248   3.802
  160   1HG1  ILE  21          HG12      ILE  21  -8.413   3.323   3.102
  161   2HG1  ILE  21          HG11      ILE  21  -7.561   4.580   4.000
  162   1HG2  ILE  21          HG21      ILE  21  -6.347   2.050   1.700
  163   2HG2  ILE  21          HG22      ILE  21  -7.213   0.995   2.817
  164   3HG2  ILE  21          HG23      ILE  21  -5.452   1.071   2.862
  165   1HD1  ILE  21          HD11      ILE  21  -6.163   5.101   2.129
  166   2HD1  ILE  21          HD12      ILE  21  -7.806   4.997   1.496
  167   3HD1  ILE  21          HD13      ILE  21  -6.682   3.659   1.256
  168    H    GLY  22           HN       GLY  22  -7.214  -0.300   5.031
  169   1HA   GLY  22          HA2       GLY  22  -9.084  -1.719   5.011
  170   2HA   GLY  22          HA1       GLY  22 -10.030  -0.361   5.618
  171    H    LYS  23           HN       LYS  23  -8.196  -0.580   2.572
  172    HA   LYS  23           HA       LYS  23 -10.794  -0.435   1.089
  173   1HB   LYS  23          HB2       LYS  23  -9.826   1.816   1.396
  174   2HB   LYS  23          HB1       LYS  23  -8.307   1.262   0.692
  175   1HG   LYS  23          HG2       LYS  23  -9.879   2.497  -0.897
  176   2HG   LYS  23          HG1       LYS  23  -9.312   0.920  -1.450
  177   1HD   LYS  23          HD2       LYS  23 -11.374  -0.112  -1.046
  178   2HD   LYS  23          HD1       LYS  23 -11.878   1.124   0.107
  179   1HE   LYS  23          HE2       LYS  23 -11.682   2.709  -2.033
  180   2HE   LYS  23          HE1       LYS  23 -11.971   1.179  -2.885
  181   1HZ   LYS  23          HZ1       LYS  23 -14.075   2.174  -2.299
  182   2HZ   LYS  23          HZ2       LYS  23 -13.609   2.300  -0.670
  183   3HZ   LYS  23          HZ3       LYS  23 -13.846   0.771  -1.374
  184    H    ALA  24           HN       ALA  24  -7.985  -2.112   1.550
  185    HA   ALA  24           HA       ALA  24  -6.642  -3.519   0.180
  186   1HB   ALA  24          HB1       ALA  24  -8.476  -4.947   0.365
  187   2HB   ALA  24          HB2       ALA  24  -8.361  -4.783  -1.388
  188   3HB   ALA  24          HB3       ALA  24  -9.550  -3.839  -0.490
  189    H    ALA  25           HN       ALA  25  -6.421  -0.894  -0.788
  190    HA   ALA  25           HA       ALA  25  -6.136  -1.408  -3.706
  191   1HB   ALA  25          HB1       ALA  25  -8.372  -0.278  -2.975
  192   2HB   ALA  25          HB2       ALA  25  -7.468   0.447  -4.305
  193   3HB   ALA  25          HB3       ALA  25  -7.373   1.147  -2.689
  194    H    GLY  26           HN       GLY  26  -3.831  -1.393  -3.203
  195   1HA   GLY  26          HA2       GLY  26  -2.720   1.334  -3.131
  196   2HA   GLY  26          HA1       GLY  26  -2.253   0.291  -1.786
  197    H    LYS  27           HN       LYS  27  -0.173   1.078  -3.249
  198    HA   LYS  27           HA       LYS  27   0.599  -1.393  -4.724
  199   1HB   LYS  27          HB2       LYS  27   0.876   1.439  -5.784
  200   2HB   LYS  27          HB1       LYS  27   1.390  -0.030  -6.612
  201   1HG   LYS  27          HG2       LYS  27  -1.073  -0.794  -6.342
  202   2HG   LYS  27          HG1       LYS  27  -1.412   0.905  -6.016
  203   1HD   LYS  27          HD2       LYS  27   0.307   0.508  -8.359
  204   2HD   LYS  27          HD1       LYS  27  -1.282  -0.238  -8.530
  205   1HE   LYS  27          HE2       LYS  27  -2.161   1.802  -8.958
  206   2HE   LYS  27          HE1       LYS  27  -1.661   2.337  -7.340
  207   1HZ   LYS  27          HZ1       LYS  27   0.379   2.087  -9.431
  208   2HZ   LYS  27          HZ2       LYS  27   0.316   3.148  -8.105
  209   3HZ   LYS  27          HZ3       LYS  27  -0.645   3.438  -9.476
  210    H    CYS  28           HN       CYS  28   3.088  -0.664  -5.570
  211    HA   CYS  28           HA       CYS  28   4.469   0.308  -3.089
  212   1HB   CYS  28          HB2       CYS  28   4.520  -2.175  -3.514
  213   2HB   CYS  28          HB1       CYS  28   5.363  -1.849  -5.030
  214    H    MET  29           HN       MET  29   5.152   2.348  -3.734
  215    HA   MET  29           HA       MET  29   6.733   2.501  -6.281
  216   1HB   MET  29          HB2       MET  29   4.299   3.616  -5.881
  217   2HB   MET  29          HB1       MET  29   5.319   4.903  -5.239
  218   1HG   MET  29          HG2       MET  29   5.278   5.506  -7.475
  219   2HG   MET  29          HG1       MET  29   6.699   4.462  -7.464
  220   1HE   MET  29          HE1       MET  29   6.155   1.412  -8.751
  221   2HE   MET  29          HE2       MET  29   7.154   2.827  -8.433
  222   3HE   MET  29          HE3       MET  29   6.480   2.579 -10.041
  223    H    ASN  30           HN       ASN  30   8.734   3.486  -6.062
  224    HA   ASN  30           HA       ASN  30  10.594   4.464  -4.981
  225   1HB   ASN  30          HB2       ASN  30   8.149   5.946  -4.316
  226   2HB   ASN  30          HB1       ASN  30   9.432   6.168  -3.125
  227   1HD2  ASN  30          HD21      ASN  30  11.724   6.028  -4.771
  228   2HD2  ASN  30          HD22      ASN  30  11.705   7.323  -5.868
  229    H    GLY  31           HN       GLY  31   9.258   2.008  -3.796
  230   1HA   GLY  31          HA2       GLY  31   9.687   0.649  -1.926
  231   2HA   GLY  31          HA1       GLY  31  10.827   1.878  -1.375
  232    H    LYS  32           HN       LYS  32   7.388   2.382  -2.054
  233    HA   LYS  32           HA       LYS  32   6.879   2.695   0.876
  234   1HB   LYS  32          HB2       LYS  32   6.420   4.684  -1.364
  235   2HB   LYS  32          HB1       LYS  32   5.664   4.840   0.221
  236   1HG   LYS  32          HG2       LYS  32   8.499   4.315   0.503
  237   2HG   LYS  32          HG1       LYS  32   8.230   5.729  -0.517
  238   1HD   LYS  32          HD2       LYS  32   6.386   5.980   1.591
  239   2HD   LYS  32          HD1       LYS  32   7.893   5.461   2.349
  240   1HE   LYS  32          HE2       LYS  32   8.405   7.700   2.258
  241   2HE   LYS  32          HE1       LYS  32   8.811   7.341   0.567
  242   1HZ   LYS  32          HZ1       LYS  32   6.124   8.133   1.564
  243   2HZ   LYS  32          HZ2       LYS  32   6.523   7.787  -0.050
  244   3HZ   LYS  32          HZ3       LYS  32   7.192   9.146   0.720
  245    H    CYS  33           HN       CYS  33   4.655   2.361   1.444
  246    HA   CYS  33           HA       CYS  33   3.126   0.786  -0.547
  247   1HB   CYS  33          HB2       CYS  33   3.653   0.562   2.124
  248   2HB   CYS  33          HB1       CYS  33   2.060   1.310   2.165
  249    H    LYS  34           HN       LYS  34   2.017   2.170  -1.943
  250    HA   LYS  34           HA       LYS  34   0.729   4.615  -0.897
  251   1HB   LYS  34          HB2       LYS  34   1.398   3.370  -3.522
  252   2HB   LYS  34          HB1       LYS  34   0.035   4.488  -3.494
  253   1HG   LYS  34          HG2       LYS  34   1.366   6.289  -2.768
  254   2HG   LYS  34          HG1       LYS  34   2.658   5.226  -2.208
  255   1HD   LYS  34          HD2       LYS  34   3.658   5.676  -4.191
  256   2HD   LYS  34          HD1       LYS  34   2.467   4.576  -4.886
  257   1HE   LYS  34          HE2       LYS  34   0.938   6.467  -5.304
  258   2HE   LYS  34          HE1       LYS  34   2.121   7.583  -4.595
  259   1HZ   LYS  34          HZ1       LYS  34   2.404   7.480  -6.990
  260   2HZ   LYS  34          HZ2       LYS  34   2.586   5.790  -6.922
  261   3HZ   LYS  34          HZ3       LYS  34   3.754   6.803  -6.216
  262    H    CYS  35           HN       CYS  35  -1.584   5.003  -1.263
  263    HA   CYS  35           HA       CYS  35  -3.313   2.677  -1.842
  264   1HB   CYS  35          HB2       CYS  35  -2.724   3.806   0.853
  265   2HB   CYS  35          HB1       CYS  35  -4.403   3.375   0.524
  266    H    TYR  36           HN       TYR  36  -5.535   3.341  -2.186
  267    HA   TYR  36           HA       TYR  36  -5.820   6.274  -2.692
  268   1HB   TYR  36          HB2       TYR  36  -6.903   3.724  -3.837
  269   2HB   TYR  36          HB1       TYR  36  -7.882   5.184  -3.985
  270    HD1  TYR  36           HD1      TYR  36  -4.583   3.675  -4.781
  271    HD2  TYR  36           HD2      TYR  36  -7.261   6.963  -5.465
  272    HE1  TYR  36           HE1      TYR  36  -3.165   4.438  -6.667
  273    HE2  TYR  36           HE2      TYR  36  -5.843   7.725  -7.351
  274    HH   TYR  36           HH       TYR  36  -3.734   7.505  -8.272
  275    HA   PRO  37           HA       PRO  37  -8.723   6.754   0.590
  276   1HB   PRO  37          HB2       PRO  37 -10.501   8.380  -0.980
  277   2HB   PRO  37          HB1       PRO  37  -9.298   8.910   0.201
  278   1HG   PRO  37          HG2       PRO  37  -9.194   9.163  -2.660
  279   2HG   PRO  37          HG1       PRO  37  -8.004   9.709  -1.474
  280   1HD   PRO  37          HD2       PRO  37  -7.769   7.508  -3.318
  281   2HD   PRO  37          HD1       PRO  37  -6.587   8.033  -2.093
  Start of MODEL   29
    1   1H    VAL   1          HT1       VAL   1  -4.999   6.346   2.214
    2   2H    VAL   1          HT2       VAL   1  -4.456   6.321   3.823
    3   3H    VAL   1          HT3       VAL   1  -3.773   5.272   2.676
    4    HA   VAL   1           HA       VAL   1  -3.464   7.842   1.650
    5    HB   VAL   1           HB       VAL   1  -2.341   8.939   3.547
    6   1HG1  VAL   1          HG11      VAL   1  -4.955   8.887   3.172
    7   2HG1  VAL   1          HG12      VAL   1  -4.287   9.621   4.629
    8   3HG1  VAL   1          HG13      VAL   1  -4.948   7.988   4.690
    9   1HG2  VAL   1          HG21      VAL   1  -2.651   6.238   4.684
   10   2HG2  VAL   1          HG22      VAL   1  -3.078   7.535   5.801
   11   3HG2  VAL   1          HG23      VAL   1  -1.472   7.491   5.072
   12    H    PHE   2           HN       PHE   2  -0.804   8.275   2.424
   13    HA   PHE   2           HA       PHE   2   0.511   5.921   1.202
   14   1HB   PHE   2          HB2       PHE   2   1.174   8.788   1.826
   15   2HB   PHE   2          HB1       PHE   2   2.473   7.661   1.439
   16    HD1  PHE   2           HD1      PHE   2  -1.030   7.869   0.117
   17    HD2  PHE   2           HD2      PHE   2   3.169   8.180  -0.743
   18    HE1  PHE   2           HE1      PHE   2  -1.540   8.104  -2.298
   19    HE2  PHE   2           HE2      PHE   2   2.655   8.415  -3.157
   20    HZ   PHE   2           HZ       PHE   2   0.302   8.377  -3.935
   21    H    ILE   3           HN       ILE   3   2.499   5.028   2.218
   22    HA   ILE   3           HA       ILE   3   2.788   5.531   5.141
   23    HB   ILE   3           HB       ILE   3   2.556   2.726   4.052
   24   1HG1  ILE   3          HG12      ILE   3   0.301   4.499   5.051
   25   2HG1  ILE   3          HG11      ILE   3   0.477   3.872   3.411
   26   1HG2  ILE   3          HG21      ILE   3   1.602   2.611   6.537
   27   2HG2  ILE   3          HG22      ILE   3   2.553   4.085   6.716
   28   3HG2  ILE   3          HG23      ILE   3   3.336   2.584   6.223
   29   1HD1  ILE   3          HD11      ILE   3   0.272   1.580   4.225
   30   2HD1  ILE   3          HD12      ILE   3  -1.111   2.522   4.782
   31   3HD1  ILE   3          HD13      ILE   3   0.208   2.150   5.893
   32    H    ASN   4           HN       ASN   4   4.764   4.311   5.979
   33    HA   ASN   4           HA       ASN   4   6.934   4.454   3.941
   34   1HB   ASN   4          HB2       ASN   4   8.346   4.505   6.032
   35   2HB   ASN   4          HB1       ASN   4   7.170   5.817   5.939
   36   1HD2  ASN   4          HD21      ASN   4   6.963   6.030   8.272
   37   2HD2  ASN   4          HD22      ASN   4   6.213   4.834   9.215
   38    H    ALA   5           HN       ALA   5   4.971   2.105   4.515
   39    HA   ALA   5           HA       ALA   5   6.447  -0.048   5.698
   40   1HB   ALA   5          HB1       ALA   5   4.282  -0.017   3.567
   41   2HB   ALA   5          HB2       ALA   5   4.005   0.002   5.309
   42   3HB   ALA   5          HB3       ALA   5   4.728  -1.415   4.546
   43    H    LYS   6           HN       LYS   6   8.235  -1.078   4.884
   44    HA   LYS   6           HA       LYS   6   9.349  -0.447   2.303
   45   1HB   LYS   6          HB2       LYS   6  10.966  -2.195   2.942
   46   2HB   LYS   6          HB1       LYS   6  10.628  -1.126   4.303
   47   1HG   LYS   6          HG2       LYS   6   8.676  -3.058   4.570
   48   2HG   LYS   6          HG1       LYS   6  10.057  -3.990   3.989
   49   1HD   LYS   6          HD2       LYS   6  10.347  -1.994   6.233
   50   2HD   LYS   6          HD1       LYS   6   9.844  -3.656   6.543
   51   1HE   LYS   6          HE2       LYS   6  11.971  -4.179   4.984
   52   2HE   LYS   6          HE1       LYS   6  12.498  -2.621   5.653
   53   1HZ   LYS   6          HZ1       LYS   6  11.680  -5.058   7.122
   54   2HZ   LYS   6          HZ2       LYS   6  11.713  -3.532   7.867
   55   3HZ   LYS   6          HZ3       LYS   6  13.142  -4.206   7.242
   56    H    CYS   7           HN       CYS   7   7.329  -0.995   1.022
   57    HA   CYS   7           HA       CYS   7   6.161  -3.529   0.737
   58   1HB   CYS   7          HB2       CYS   7   5.880  -2.738  -1.700
   59   2HB   CYS   7          HB1       CYS   7   5.277  -1.654  -0.447
   60    H    ARG   8           HN       ARG   8   6.569  -4.813  -1.518
   61    HA   ARG   8           HA       ARG   8   9.518  -5.329  -1.729
   62   1HB   ARG   8          HB2       ARG   8   7.234  -7.043  -0.973
   63   2HB   ARG   8          HB1       ARG   8   8.329  -7.765  -2.153
   64   1HG   ARG   8          HG2       ARG   8  10.248  -7.203  -0.660
   65   2HG   ARG   8          HG1       ARG   8   9.102  -6.606   0.540
   66   1HD   ARG   8          HD2       ARG   8   8.092  -8.815   0.755
   67   2HD   ARG   8          HD1       ARG   8   9.112  -9.440  -0.558
   68    HE   ARG   8           HE       ARG   8  10.849  -9.618   1.025
   69   1HH1  ARG   8          HH11      ARG   8   8.419  -8.790   2.959
   70   2HH1  ARG   8          HH12      ARG   8   9.283  -7.694   3.986
   71   1HH2  ARG   8          HH21      ARG   8  12.053  -7.510   1.910
   72   2HH2  ARG   8          HH22      ARG   8  11.338  -6.970   3.393
   73    H    GLY   9           HN       GLY   9   6.326  -5.553  -3.292
   74   1HA   GLY   9          HA2       GLY   9   7.665  -5.182  -5.908
   75   2HA   GLY   9          HA1       GLY   9   6.651  -6.614  -5.722
   76    H    SER  10           HN       SER  10   4.471  -5.751  -4.373
   77    HA   SER  10           HA       SER  10   3.334  -3.247  -4.932
   78   1HB   SER  10          HB2       SER  10   3.290  -3.243  -7.193
   79   2HB   SER  10          HB1       SER  10   3.765  -4.937  -7.264
   80    HG   SER  10           HG       SER  10   1.230  -3.765  -7.247
   81    HA   PRO  11           HA       PRO  11  -0.301  -6.483  -4.768
   82   1HB   PRO  11          HB2       PRO  11   0.901  -9.029  -4.174
   83   2HB   PRO  11          HB1       PRO  11  -0.066  -8.577  -5.582
   84   1HG   PRO  11          HG2       PRO  11   2.768  -9.050  -5.458
   85   2HG   PRO  11          HG1       PRO  11   1.794  -8.631  -6.870
   86   1HD   PRO  11          HD2       PRO  11   3.688  -6.975  -5.502
   87   2HD   PRO  11          HD1       PRO  11   2.649  -6.519  -6.871
   88    H    GLU  12           HN       GLU  12   2.625  -7.115  -2.818
   89    HA   GLU  12           HA       GLU  12   1.359  -7.921  -0.407
   90   1HB   GLU  12          HB2       GLU  12   3.492  -7.499   0.553
   91   2HB   GLU  12          HB1       GLU  12   3.836  -7.868  -1.137
   92   1HG   GLU  12          HG2       GLU  12   3.496  -5.056  -0.058
   93   2HG   GLU  12          HG1       GLU  12   5.057  -5.846  -0.278
   94    H    CYS  13           HN       CYS  13   1.721  -4.731  -1.841
   95    HA   CYS  13           HA       CYS  13   1.187  -3.169   0.519
   96   1HB   CYS  13          HB2       CYS  13   1.515  -2.855  -2.358
   97   2HB   CYS  13          HB1       CYS  13   0.263  -1.781  -1.735
   98    H    LEU  14           HN       LEU  14  -0.930  -4.613  -1.963
   99    HA   LEU  14           HA       LEU  14  -3.369  -3.375  -1.388
  100   1HB   LEU  14          HB2       LEU  14  -2.393  -5.729  -2.682
  101   2HB   LEU  14          HB1       LEU  14  -3.798  -6.185  -1.715
  102    HG   LEU  14           HG       LEU  14  -4.614  -5.492  -3.875
  103   1HD1  LEU  14          HD11      LEU  14  -5.265  -4.161  -1.447
  104   2HD1  LEU  14          HD12      LEU  14  -6.302  -4.412  -2.851
  105   3HD1  LEU  14          HD13      LEU  14  -5.317  -2.953  -2.731
  106   1HD2  LEU  14          HD21      LEU  14  -2.915  -3.022  -3.405
  107   2HD2  LEU  14          HD22      LEU  14  -4.101  -3.166  -4.703
  108   3HD2  LEU  14          HD23      LEU  14  -2.697  -4.232  -4.669
  109    HA   PRO  15           HA       PRO  15  -4.196  -6.650   2.117
  110   1HB   PRO  15          HB2       PRO  15  -1.613  -7.561   3.003
  111   2HB   PRO  15          HB1       PRO  15  -2.925  -8.521   2.311
  112   1HG   PRO  15          HG2       PRO  15  -0.428  -7.780   1.082
  113   2HG   PRO  15          HG1       PRO  15  -1.719  -8.783   0.414
  114   1HD   PRO  15          HD2       PRO  15  -0.998  -6.127  -0.376
  115   2HD   PRO  15          HD1       PRO  15  -2.361  -7.098  -0.976
  116    H    LYS  16           HN       LYS  16  -1.045  -4.957   2.181
  117    HA   LYS  16           HA       LYS  16  -1.106  -4.153   4.922
  118   1HB   LYS  16          HB2       LYS  16   0.089  -2.892   2.432
  119   2HB   LYS  16          HB1       LYS  16   0.508  -2.420   4.080
  120   1HG   LYS  16          HG2       LYS  16   0.739  -5.273   3.099
  121   2HG   LYS  16          HG1       LYS  16   2.069  -4.119   2.988
  122   1HD   LYS  16          HD2       LYS  16   0.628  -4.719   5.582
  123   2HD   LYS  16          HD1       LYS  16   2.080  -5.580   5.069
  124   1HE   LYS  16          HE2       LYS  16   3.194  -3.900   6.153
  125   2HE   LYS  16          HE1       LYS  16   2.817  -2.942   4.707
  126   1HZ   LYS  16          HZ1       LYS  16   1.582  -2.877   7.332
  127   2HZ   LYS  16          HZ2       LYS  16   0.496  -2.837   6.026
  128   3HZ   LYS  16          HZ3       LYS  16   1.709  -1.654   6.164
  129    H    CYS  17           HN       CYS  17  -2.172  -2.399   1.974
  130    HA   CYS  17           HA       CYS  17  -3.158  -0.065   3.272
  131   1HB   CYS  17          HB2       CYS  17  -3.938  -1.548   0.746
  132   2HB   CYS  17          HB1       CYS  17  -4.599   0.031   1.163
  133    H    LYS  18           HN       LYS  18  -4.650  -3.233   2.696
  134    HA   LYS  18           HA       LYS  18  -7.329  -2.584   3.450
  135   1HB   LYS  18          HB2       LYS  18  -6.307  -4.670   2.326
  136   2HB   LYS  18          HB1       LYS  18  -5.902  -5.202   3.958
  137   1HG   LYS  18          HG2       LYS  18  -7.991  -6.018   4.143
  138   2HG   LYS  18          HG1       LYS  18  -8.589  -4.361   4.084
  139   1HD   LYS  18          HD2       LYS  18  -9.534  -4.782   2.090
  140   2HD   LYS  18          HD1       LYS  18  -7.941  -5.129   1.418
  141   1HE   LYS  18          HE2       LYS  18  -8.771  -7.238   1.105
  142   2HE   LYS  18          HE1       LYS  18  -8.485  -7.435   2.846
  143   1HZ   LYS  18          HZ1       LYS  18 -10.975  -6.490   1.530
  144   2HZ   LYS  18          HZ2       LYS  18 -10.700  -6.392   3.204
  145   3HZ   LYS  18          HZ3       LYS  18 -10.773  -7.907   2.440
  146    H    GLU  19           HN       GLU  19  -4.493  -3.560   5.365
  147    HA   GLU  19           HA       GLU  19  -5.972  -3.714   7.880
  148   1HB   GLU  19          HB2       GLU  19  -3.170  -3.939   6.879
  149   2HB   GLU  19          HB1       GLU  19  -3.375  -3.562   8.590
  150   1HG   GLU  19          HG2       GLU  19  -5.235  -5.626   7.895
  151   2HG   GLU  19          HG1       GLU  19  -3.640  -6.097   7.310
  152    H    ALA  20           HN       ALA  20  -4.537  -1.187   6.002
  153    HA   ALA  20           HA       ALA  20  -4.426   0.651   8.353
  154   1HB   ALA  20          HB1       ALA  20  -3.462   0.890   5.482
  155   2HB   ALA  20          HB2       ALA  20  -2.463   0.469   6.873
  156   3HB   ALA  20          HB3       ALA  20  -3.169   2.080   6.752
  157    H    ILE  21           HN       ILE  21  -5.838   0.395   5.078
  158    HA   ILE  21           HA       ILE  21  -7.726   2.603   5.805
  159    HB   ILE  21           HB       ILE  21  -6.033   2.649   3.810
  160   1HG1  ILE  21          HG12      ILE  21  -8.952   3.202   3.213
  161   2HG1  ILE  21          HG11      ILE  21  -7.957   4.232   4.246
  162   1HG2  ILE  21          HG21      ILE  21  -7.212   0.282   3.157
  163   2HG2  ILE  21          HG22      ILE  21  -6.415   1.333   1.987
  164   3HG2  ILE  21          HG23      ILE  21  -8.166   1.398   2.181
  165   1HD1  ILE  21          HD11      ILE  21  -6.301   4.127   2.172
  166   2HD1  ILE  21          HD12      ILE  21  -7.631   5.283   2.207
  167   3HD1  ILE  21          HD13      ILE  21  -7.789   3.784   1.291
  168    H    GLY  22           HN       GLY  22  -7.468  -0.741   4.798
  169   1HA   GLY  22          HA2       GLY  22  -9.099  -2.433   4.772
  170   2HA   GLY  22          HA1       GLY  22 -10.199  -1.296   5.553
  171    H    LYS  23           HN       LYS  23  -8.563  -0.812   2.442
  172    HA   LYS  23           HA       LYS  23 -11.240  -0.984   1.102
  173   1HB   LYS  23          HB2       LYS  23 -10.328   1.346   1.671
  174   2HB   LYS  23          HB1       LYS  23  -9.070   1.029   0.475
  175   1HG   LYS  23          HG2       LYS  23 -10.483   1.421  -1.241
  176   2HG   LYS  23          HG1       LYS  23 -11.721   0.375  -0.547
  177   1HD   LYS  23          HD2       LYS  23 -12.221   2.278   1.083
  178   2HD   LYS  23          HD1       LYS  23 -11.211   3.294   0.055
  179   1HE   LYS  23          HE2       LYS  23 -13.395   3.641  -0.805
  180   2HE   LYS  23          HE1       LYS  23 -12.729   2.407  -1.892
  181   1HZ   LYS  23          HZ1       LYS  23 -14.521   2.019   0.435
  182   2HZ   LYS  23          HZ2       LYS  23 -13.616   0.741  -0.227
  183   3HZ   LYS  23          HZ3       LYS  23 -14.778   1.544  -1.173
  184    H    ALA  24           HN       ALA  24  -8.119  -2.156   1.230
  185    HA   ALA  24           HA       ALA  24  -6.764  -3.361  -0.289
  186   1HB   ALA  24          HB1       ALA  24  -9.154  -4.454  -0.128
  187   2HB   ALA  24          HB2       ALA  24  -8.030  -5.009  -1.368
  188   3HB   ALA  24          HB3       ALA  24  -9.318  -3.881  -1.787
  189    H    ALA  25           HN       ALA  25  -6.445  -0.771  -0.958
  190    HA   ALA  25           HA       ALA  25  -6.403  -0.845  -3.926
  191   1HB   ALA  25          HB1       ALA  25  -7.511   1.555  -2.470
  192   2HB   ALA  25          HB2       ALA  25  -8.559   0.212  -2.924
  193   3HB   ALA  25          HB3       ALA  25  -7.700   1.119  -4.167
  194    H    GLY  26           HN       GLY  26  -4.303  -0.327  -4.419
  195   1HA   GLY  26          HA2       GLY  26  -2.933   1.969  -4.130
  196   2HA   GLY  26          HA1       GLY  26  -2.723   1.290  -2.517
  197    H    LYS  27           HN       LYS  27  -0.447   1.687  -3.897
  198    HA   LYS  27           HA       LYS  27   0.425  -1.096  -4.547
  199   1HB   LYS  27          HB2       LYS  27   1.014   1.398  -6.180
  200   2HB   LYS  27          HB1       LYS  27   1.575  -0.233  -6.545
  201   1HG   LYS  27          HG2       LYS  27  -0.297  -0.389  -7.815
  202   2HG   LYS  27          HG1       LYS  27  -1.139  -0.608  -6.280
  203   1HD   LYS  27          HD2       LYS  27  -2.293   1.274  -6.725
  204   2HD   LYS  27          HD1       LYS  27  -0.785   2.172  -6.549
  205   1HE   LYS  27          HE2       LYS  27  -0.742   0.961  -9.133
  206   2HE   LYS  27          HE1       LYS  27  -2.313   1.764  -8.940
  207   1HZ   LYS  27          HZ1       LYS  27  -1.355   3.786  -8.601
  208   2HZ   LYS  27          HZ2       LYS  27  -0.165   3.114  -9.612
  209   3HZ   LYS  27          HZ3       LYS  27   0.062   3.140  -7.928
  210    H    CYS  28           HN       CYS  28   3.055  -0.606  -5.111
  211    HA   CYS  28           HA       CYS  28   4.052   0.569  -2.554
  212   1HB   CYS  28          HB2       CYS  28   4.799  -1.634  -2.754
  213   2HB   CYS  28          HB1       CYS  28   4.913  -1.547  -4.508
  214    H    MET  29           HN       MET  29   5.799   2.110  -2.622
  215    HA   MET  29           HA       MET  29   6.118   3.469  -5.277
  216   1HB   MET  29          HB2       MET  29   4.955   4.585  -3.275
  217   2HB   MET  29          HB1       MET  29   6.548   4.638  -2.520
  218   1HG   MET  29          HG2       MET  29   6.971   5.599  -5.114
  219   2HG   MET  29          HG1       MET  29   5.451   6.338  -4.609
  220   1HE   MET  29          HE1       MET  29   5.759   8.884  -3.126
  221   2HE   MET  29          HE2       MET  29   6.040   8.357  -4.783
  222   3HE   MET  29          HE3       MET  29   7.265   9.309  -3.951
  223    H    ASN  30           HN       ASN  30   7.909   1.743  -5.550
  224    HA   ASN  30           HA       ASN  30  10.205   1.188  -5.557
  225   1HB   ASN  30          HB2       ASN  30  10.009   4.166  -5.173
  226   2HB   ASN  30          HB1       ASN  30  11.593   3.391  -5.209
  227   1HD2  ASN  30          HD21      ASN  30  12.293   2.405  -7.228
  228   2HD2  ASN  30          HD22      ASN  30  11.480   2.698  -8.689
  229    H    GLY  31           HN       GLY  31   8.717   1.016  -2.940
  230   1HA   GLY  31          HA2       GLY  31  10.336  -0.022  -1.140
  231   2HA   GLY  31          HA1       GLY  31  10.914   1.640  -1.027
  232    H    LYS  32           HN       LYS  32   8.216   2.770  -1.460
  233    HA   LYS  32           HA       LYS  32   7.148   2.255   1.285
  234   1HB   LYS  32          HB2       LYS  32   6.981   4.578  -0.657
  235   2HB   LYS  32          HB1       LYS  32   6.109   4.533   0.877
  236   1HG   LYS  32          HG2       LYS  32   7.968   5.415   1.809
  237   2HG   LYS  32          HG1       LYS  32   8.708   3.830   1.579
  238   1HD   LYS  32          HD2       LYS  32   9.061   4.813  -0.898
  239   2HD   LYS  32          HD1       LYS  32   9.059   6.331   0.000
  240   1HE   LYS  32          HE2       LYS  32  10.728   5.101   1.604
  241   2HE   LYS  32          HE1       LYS  32  10.974   4.016   0.220
  242   1HZ   LYS  32          HZ1       LYS  32  12.470   5.737  -0.173
  243   2HZ   LYS  32          HZ2       LYS  32  11.398   6.937   0.373
  244   3HZ   LYS  32          HZ3       LYS  32  11.134   6.173  -1.122
  245    H    CYS  33           HN       CYS  33   4.611   3.002   1.200
  246    HA   CYS  33           HA       CYS  33   3.357   1.387  -1.003
  247   1HB   CYS  33          HB2       CYS  33   3.439   0.557   1.468
  248   2HB   CYS  33          HB1       CYS  33   2.214   1.790   1.760
  249    H    LYS  34           HN       LYS  34   1.252   2.166  -1.722
  250    HA   LYS  34           HA       LYS  34   0.581   4.954  -0.860
  251   1HB   LYS  34          HB2       LYS  34   0.996   3.837  -3.647
  252   2HB   LYS  34          HB1       LYS  34   0.224   5.393  -3.340
  253   1HG   LYS  34          HG2       LYS  34   2.310   5.980  -1.962
  254   2HG   LYS  34          HG1       LYS  34   3.060   4.567  -2.705
  255   1HD   LYS  34          HD2       LYS  34   1.762   6.782  -4.309
  256   2HD   LYS  34          HD1       LYS  34   3.482   6.757  -3.914
  257   1HE   LYS  34          HE2       LYS  34   3.885   5.304  -5.603
  258   2HE   LYS  34          HE1       LYS  34   2.662   4.183  -4.972
  259   1HZ   LYS  34          HZ1       LYS  34   0.947   5.663  -5.923
  260   2HZ   LYS  34          HZ2       LYS  34   1.943   4.965  -7.109
  261   3HZ   LYS  34          HZ3       LYS  34   2.171   6.585  -6.651
  262    H    CYS  35           HN       CYS  35  -1.259   4.022   0.288
  263    HA   CYS  35           HA       CYS  35  -3.231   2.407  -1.160
  264   1HB   CYS  35          HB2       CYS  35  -3.503   3.876   1.474
  265   2HB   CYS  35          HB1       CYS  35  -4.376   2.435   0.957
  266    H    TYR  36           HN       TYR  36  -5.127   3.175  -2.110
  267    HA   TYR  36           HA       TYR  36  -5.289   6.036  -2.695
  268   1HB   TYR  36          HB2       TYR  36  -6.613   3.484  -3.478
  269   2HB   TYR  36          HB1       TYR  36  -7.533   4.967  -3.735
  270    HD1  TYR  36           HD1      TYR  36  -7.443   5.180  -6.106
  271    HD2  TYR  36           HD2      TYR  36  -3.834   4.578  -3.856
  272    HE1  TYR  36           HE1      TYR  36  -6.099   5.661  -8.133
  273    HE2  TYR  36           HE2      TYR  36  -2.490   5.061  -5.884
  274    HH   TYR  36           HH       TYR  36  -3.062   4.836  -8.563
  275    HA   PRO  37           HA       PRO  37  -7.923   7.131   0.711
  276   1HB   PRO  37          HB2       PRO  37  -9.201   9.178  -0.851
  277   2HB   PRO  37          HB1       PRO  37  -7.929   9.371   0.359
  278   1HG   PRO  37          HG2       PRO  37  -7.703   9.650  -2.487
  279   2HG   PRO  37          HG1       PRO  37  -6.432   9.831  -1.275
  280   1HD   PRO  37          HD2       PRO  37  -6.774   7.685  -3.175
  281   2HD   PRO  37          HD1       PRO  37  -5.491   7.870  -1.952
  Start of MODEL   30
    1   1H    VAL   1          HT1       VAL   1  -4.508   8.720   0.138
    2   2H    VAL   1          HT2       VAL   1  -3.055   9.599   0.181
    3   3H    VAL   1          HT3       VAL   1  -4.360  10.060   1.167
    4    HA   VAL   1           HA       VAL   1  -3.212   8.924   2.745
    5    HB   VAL   1           HB       VAL   1  -4.694   6.880   1.069
    6   1HG1  VAL   1          HG11      VAL   1  -4.763   5.702   3.409
    7   2HG1  VAL   1          HG12      VAL   1  -3.316   6.656   3.734
    8   3HG1  VAL   1          HG13      VAL   1  -3.334   5.508   2.394
    9   1HG2  VAL   1          HG21      VAL   1  -5.401   8.908   3.092
   10   2HG2  VAL   1          HG22      VAL   1  -6.092   7.313   3.395
   11   3HG2  VAL   1          HG23      VAL   1  -6.414   8.138   1.870
   12    H    PHE   2           HN       PHE   2  -1.060   8.477   2.950
   13    HA   PHE   2           HA       PHE   2   0.175   6.471   1.111
   14   1HB   PHE   2          HB2       PHE   2   0.706   9.364   1.399
   15   2HB   PHE   2          HB1       PHE   2   2.149   8.351   1.428
   16    HD1  PHE   2           HD1      PHE   2  -1.011   8.907  -0.502
   17    HD2  PHE   2           HD2      PHE   2   3.061   7.544  -0.576
   18    HE1  PHE   2           HE1      PHE   2  -1.144   8.644  -2.965
   19    HE2  PHE   2           HE2      PHE   2   2.929   7.281  -3.039
   20    HZ   PHE   2           HZ       PHE   2   0.826   7.832  -4.233
   21    H    ILE   3           HN       ILE   3   1.785   5.219   2.145
   22    HA   ILE   3           HA       ILE   3   2.517   5.986   4.945
   23    HB   ILE   3           HB       ILE   3   2.158   3.434   5.384
   24   1HG1  ILE   3          HG12      ILE   3   0.117   3.706   3.193
   25   2HG1  ILE   3          HG11      ILE   3   1.756   3.194   2.787
   26   1HG2  ILE   3          HG21      ILE   3   0.087   5.585   5.093
   27   2HG2  ILE   3          HG22      ILE   3   0.712   4.826   6.558
   28   3HG2  ILE   3          HG23      ILE   3  -0.427   3.956   5.531
   29   1HD1  ILE   3          HD11      ILE   3   1.497   1.471   4.684
   30   2HD1  ILE   3          HD12      ILE   3   0.590   1.170   3.202
   31   3HD1  ILE   3          HD13      ILE   3  -0.226   1.838   4.616
   32    H    ASN   4           HN       ASN   4   4.641   5.474   5.466
   33    HA   ASN   4           HA       ASN   4   6.565   4.943   3.460
   34   1HB   ASN   4          HB2       ASN   4   8.076   4.721   5.336
   35   2HB   ASN   4          HB1       ASN   4   6.857   5.911   5.791
   36   1HD2  ASN   4          HD21      ASN   4   8.521   3.618   7.273
   37   2HD2  ASN   4          HD22      ASN   4   7.340   2.928   8.278
   38    H    ALA   5           HN       ALA   5   4.996   2.711   5.765
   39    HA   ALA   5           HA       ALA   5   5.111   0.335   5.885
   40   1HB   ALA   5          HB1       ALA   5   4.152  -0.567   3.825
   41   2HB   ALA   5          HB2       ALA   5   4.686   0.852   2.925
   42   3HB   ALA   5          HB3       ALA   5   3.430   1.008   4.153
   43    H    LYS   6           HN       LYS   6   5.888  -1.166   3.353
   44    HA   LYS   6           HA       LYS   6   8.668  -0.658   2.781
   45   1HB   LYS   6          HB2       LYS   6   9.558  -2.553   4.144
   46   2HB   LYS   6          HB1       LYS   6   8.887  -1.260   5.138
   47   1HG   LYS   6          HG2       LYS   6   6.804  -3.128   4.439
   48   2HG   LYS   6          HG1       LYS   6   8.157  -3.990   5.173
   49   1HD   LYS   6          HD2       LYS   6   7.992  -2.816   7.180
   50   2HD   LYS   6          HD1       LYS   6   7.187  -1.439   6.426
   51   1HE   LYS   6          HE2       LYS   6   5.628  -2.821   7.830
   52   2HE   LYS   6          HE1       LYS   6   5.138  -2.777   6.125
   53   1HZ   LYS   6          HZ1       LYS   6   5.807  -4.900   5.771
   54   2HZ   LYS   6          HZ2       LYS   6   5.469  -5.050   7.429
   55   3HZ   LYS   6          HZ3       LYS   6   7.068  -4.822   6.902
   56    H    CYS   7           HN       CYS   7   6.569  -1.225   1.147
   57    HA   CYS   7           HA       CYS   7   5.990  -3.929   0.529
   58   1HB   CYS   7          HB2       CYS   7   5.440  -2.967  -1.708
   59   2HB   CYS   7          HB1       CYS   7   4.814  -1.982  -0.386
   60    H    ARG   8           HN       ARG   8   6.995  -5.433  -0.850
   61    HA   ARG   8           HA       ARG   8   9.840  -4.816  -1.567
   62   1HB   ARG   8          HB2       ARG   8   8.319  -7.190  -0.567
   63   2HB   ARG   8          HB1       ARG   8   9.714  -7.490  -1.605
   64   1HG   ARG   8          HG2       ARG   8   9.923  -5.602   0.733
   65   2HG   ARG   8          HG1       ARG   8  10.108  -7.342   0.961
   66   1HD   ARG   8          HD2       ARG   8  11.755  -5.588  -0.898
   67   2HD   ARG   8          HD1       ARG   8  12.323  -6.403   0.575
   68    HE   ARG   8           HE       ARG   8  11.285  -8.494  -0.829
   69   1HH1  ARG   8          HH21      ARG   8  14.222  -8.262  -0.679
   70   2HH1  ARG   8          HH22      ARG   8  14.687  -8.113  -2.342
   71   1HH2  ARG   8          HH11      ARG   8  11.500  -7.282  -3.431
   72   2HH2  ARG   8          HH12      ARG   8  13.143  -7.563  -3.902
   73    H    GLY   9           HN       GLY   9   6.736  -5.417  -2.859
   74   1HA   GLY   9          HA2       GLY   9   7.915  -5.708  -5.568
   75   2HA   GLY   9          HA1       GLY   9   6.736  -6.915  -5.052
   76    H    SER  10           HN       SER  10   4.610  -5.951  -4.226
   77    HA   SER  10           HA       SER  10   3.690  -3.353  -4.730
   78   1HB   SER  10          HB2       SER  10   3.975  -3.208  -6.978
   79   2HB   SER  10          HB1       SER  10   4.276  -4.937  -7.121
   80    HG   SER  10           HG       SER  10   2.215  -3.804  -8.008
   81    HA   PRO  11           HA       PRO  11  -0.086  -6.390  -5.175
   82   1HB   PRO  11          HB2       PRO  11   0.932  -9.046  -4.741
   83   2HB   PRO  11          HB1       PRO  11   0.134  -8.407  -6.182
   84   1HG   PRO  11          HG2       PRO  11   2.913  -9.058  -5.842
   85   2HG   PRO  11          HG1       PRO  11   2.108  -8.444  -7.289
   86   1HD   PRO  11          HD2       PRO  11   3.934  -7.047  -5.571
   87   2HD   PRO  11          HD1       PRO  11   3.077  -6.410  -6.994
   88    H    GLU  12           HN       GLU  12   2.646  -6.808  -3.040
   89    HA   GLU  12           HA       GLU  12   1.186  -7.997  -0.822
   90   1HB   GLU  12          HB2       GLU  12   3.862  -6.762  -1.359
   91   2HB   GLU  12          HB1       GLU  12   3.366  -6.974   0.320
   92   1HG   GLU  12          HG2       GLU  12   3.385  -9.176  -1.766
   93   2HG   GLU  12          HG1       GLU  12   4.633  -8.938  -0.542
   94    H    CYS  13           HN       CYS  13   1.493  -4.795  -2.091
   95    HA   CYS  13           HA       CYS  13   1.098  -3.282   0.329
   96   1HB   CYS  13          HB2       CYS  13   1.317  -2.906  -2.525
   97   2HB   CYS  13          HB1       CYS  13  -0.015  -1.934  -1.903
   98    H    LEU  14           HN       LEU  14  -1.084  -5.008  -1.819
   99    HA   LEU  14           HA       LEU  14  -3.532  -3.724  -1.184
  100   1HB   LEU  14          HB2       LEU  14  -2.548  -6.211  -2.362
  101   2HB   LEU  14          HB1       LEU  14  -4.087  -6.429  -1.531
  102    HG   LEU  14           HG       LEU  14  -3.654  -4.113  -3.412
  103   1HD1  LEU  14          HD11      LEU  14  -3.243  -6.538  -4.387
  104   2HD1  LEU  14          HD12      LEU  14  -4.228  -5.377  -5.276
  105   3HD1  LEU  14          HD13      LEU  14  -5.001  -6.636  -4.313
  106   1HD2  LEU  14          HD21      LEU  14  -5.614  -4.295  -1.766
  107   2HD2  LEU  14          HD22      LEU  14  -6.173  -5.650  -2.746
  108   3HD2  LEU  14          HD23      LEU  14  -6.038  -4.044  -3.460
  109    HA   PRO  15           HA       PRO  15  -4.075  -7.006   2.365
  110   1HB   PRO  15          HB2       PRO  15  -1.437  -7.915   3.060
  111   2HB   PRO  15          HB1       PRO  15  -2.790  -8.873   2.450
  112   1HG   PRO  15          HG2       PRO  15  -0.385  -8.099   1.060
  113   2HG   PRO  15          HG1       PRO  15  -1.702  -9.124   0.483
  114   1HD   PRO  15          HD2       PRO  15  -1.076  -6.468  -0.374
  115   2HD   PRO  15          HD1       PRO  15  -2.483  -7.451  -0.847
  116    H    LYS  16           HN       LYS  16  -0.804  -5.522   2.379
  117    HA   LYS  16           HA       LYS  16  -0.731  -4.678   5.075
  118   1HB   LYS  16          HB2       LYS  16   0.524  -3.980   2.483
  119   2HB   LYS  16          HB1       LYS  16   0.617  -2.724   3.716
  120   1HG   LYS  16          HG2       LYS  16   2.565  -4.254   3.826
  121   2HG   LYS  16          HG1       LYS  16   1.600  -4.322   5.301
  122   1HD   LYS  16          HD2       LYS  16   0.380  -6.304   4.244
  123   2HD   LYS  16          HD1       LYS  16   1.659  -6.317   3.030
  124   1HE   LYS  16          HE2       LYS  16   2.614  -6.187   5.833
  125   2HE   LYS  16          HE1       LYS  16   1.821  -7.706   5.370
  126   1HZ   LYS  16          HZ1       LYS  16   3.916  -6.352   3.757
  127   2HZ   LYS  16          HZ2       LYS  16   3.215  -7.869   3.447
  128   3HZ   LYS  16          HZ3       LYS  16   4.217  -7.652   4.802
  129    H    CYS  17           HN       CYS  17  -2.043  -2.992   2.212
  130    HA   CYS  17           HA       CYS  17  -2.892  -0.649   3.723
  131   1HB   CYS  17          HB2       CYS  17  -3.110  -1.762   0.960
  132   2HB   CYS  17          HB1       CYS  17  -4.267  -0.514   1.421
  133    H    LYS  18           HN       LYS  18  -4.456  -3.611   2.530
  134    HA   LYS  18           HA       LYS  18  -7.159  -3.003   3.045
  135   1HB   LYS  18          HB2       LYS  18  -6.637  -5.010   1.916
  136   2HB   LYS  18          HB1       LYS  18  -5.458  -5.493   3.135
  137   1HG   LYS  18          HG2       LYS  18  -7.035  -6.506   4.399
  138   2HG   LYS  18          HG1       LYS  18  -8.140  -5.138   4.251
  139   1HD   LYS  18          HD2       LYS  18  -7.870  -6.536   1.719
  140   2HD   LYS  18          HD1       LYS  18  -8.397  -7.633   2.996
  141   1HE   LYS  18          HE2       LYS  18  -9.747  -5.003   3.032
  142   2HE   LYS  18          HE1       LYS  18 -10.103  -6.001   1.608
  143   1HZ   LYS  18          HZ1       LYS  18 -10.619  -7.852   3.021
  144   2HZ   LYS  18          HZ2       LYS  18 -11.547  -6.522   3.528
  145   3HZ   LYS  18          HZ3       LYS  18 -10.172  -6.988   4.410
  146    H    GLU  19           HN       GLU  19  -4.554  -3.789   5.281
  147    HA   GLU  19           HA       GLU  19  -6.482  -3.916   7.555
  148   1HB   GLU  19          HB2       GLU  19  -4.754  -5.689   7.196
  149   2HB   GLU  19          HB1       GLU  19  -3.500  -4.465   7.402
  150   1HG   GLU  19          HG2       GLU  19  -4.000  -5.765   9.499
  151   2HG   GLU  19          HG1       GLU  19  -4.218  -4.022   9.672
  152    H    ALA  20           HN       ALA  20  -4.144  -1.831   6.062
  153    HA   ALA  20           HA       ALA  20  -3.584  -0.237   8.457
  154   1HB   ALA  20          HB1       ALA  20  -2.579   1.258   6.598
  155   2HB   ALA  20          HB2       ALA  20  -3.029  -0.040   5.493
  156   3HB   ALA  20          HB3       ALA  20  -1.886  -0.350   6.799
  157    H    ILE  21           HN       ILE  21  -5.420   0.321   5.422
  158    HA   ILE  21           HA       ILE  21  -6.804   2.603   6.770
  159    HB   ILE  21           HB       ILE  21  -7.180   3.404   4.534
  160   1HG1  ILE  21          HG12      ILE  21  -6.354   0.604   3.714
  161   2HG1  ILE  21          HG11      ILE  21  -7.916   1.381   3.449
  162   1HG2  ILE  21          HG21      ILE  21  -5.021   3.998   4.278
  163   2HG2  ILE  21          HG22      ILE  21  -4.569   2.354   3.824
  164   3HG2  ILE  21          HG23      ILE  21  -4.615   2.818   5.524
  165   1HD1  ILE  21          HD11      ILE  21  -6.501   1.381   1.398
  166   2HD1  ILE  21          HD12      ILE  21  -5.292   2.331   2.262
  167   3HD1  ILE  21          HD13      ILE  21  -6.888   3.012   1.945
  168    H    GLY  22           HN       GLY  22  -7.372  -0.425   4.998
  169   1HA   GLY  22          HA2       GLY  22  -9.289  -1.823   5.706
  170   2HA   GLY  22          HA1       GLY  22 -10.197  -0.334   5.972
  171    H    LYS  23           HN       LYS  23  -8.183  -0.496   3.159
  172    HA   LYS  23           HA       LYS  23 -10.607  -1.022   1.470
  173   1HB   LYS  23          HB2       LYS  23  -8.383   1.014   1.099
  174   2HB   LYS  23          HB1       LYS  23  -9.715   0.754  -0.027
  175   1HG   LYS  23          HG2       LYS  23 -10.624   1.144   2.729
  176   2HG   LYS  23          HG1       LYS  23  -9.741   2.533   2.094
  177   1HD   LYS  23          HD2       LYS  23 -11.996   2.912   1.453
  178   2HD   LYS  23          HD1       LYS  23 -11.213   2.297  -0.002
  179   1HE   LYS  23          HE2       LYS  23 -12.187   0.089   1.606
  180   2HE   LYS  23          HE1       LYS  23 -13.503   1.222   1.237
  181   1HZ   LYS  23          HZ1       LYS  23 -11.637  -0.076  -0.665
  182   2HZ   LYS  23          HZ2       LYS  23 -12.586   1.267  -1.090
  183   3HZ   LYS  23          HZ3       LYS  23 -13.328  -0.192  -0.629
  184    H    ALA  24           HN       ALA  24  -8.631  -0.489  -0.848
  185    HA   ALA  24           HA       ALA  24  -6.554  -2.461  -0.770
  186   1HB   ALA  24          HB1       ALA  24  -7.725  -4.374  -1.043
  187   2HB   ALA  24          HB2       ALA  24  -8.535  -3.707  -2.461
  188   3HB   ALA  24          HB3       ALA  24  -9.213  -3.445  -0.854
  189    H    ALA  25           HN       ALA  25  -6.626   0.080  -1.859
  190    HA   ALA  25           HA       ALA  25  -6.400  -0.503  -4.783
  191   1HB   ALA  25          HB1       ALA  25  -7.354   2.163  -4.378
  192   2HB   ALA  25          HB2       ALA  25  -8.374   1.077  -3.435
  193   3HB   ALA  25          HB3       ALA  25  -8.184   0.824  -5.170
  194    H    GLY  26           HN       GLY  26  -4.131  -0.357  -4.799
  195   1HA   GLY  26          HA2       GLY  26  -2.889   2.164  -4.982
  196   2HA   GLY  26          HA1       GLY  26  -2.625   1.601  -3.331
  197    H    LYS  27           HN       LYS  27  -0.311   1.781  -4.450
  198    HA   LYS  27           HA       LYS  27   0.416  -1.009  -5.219
  199   1HB   LYS  27          HB2       LYS  27   1.400   1.449  -6.688
  200   2HB   LYS  27          HB1       LYS  27   1.591  -0.237  -7.167
  201   1HG   LYS  27          HG2       LYS  27  -1.044  -0.248  -7.098
  202   2HG   LYS  27          HG1       LYS  27  -0.857   1.497  -7.279
  203   1HD   LYS  27          HD2       LYS  27   0.514  -0.495  -9.098
  204   2HD   LYS  27          HD1       LYS  27  -1.068   0.196  -9.457
  205   1HE   LYS  27          HE2       LYS  27   1.476   1.797  -8.994
  206   2HE   LYS  27          HE1       LYS  27   0.702   1.514 -10.566
  207   1HZ   LYS  27          HZ1       LYS  27  -0.268   3.487  -9.917
  208   2HZ   LYS  27          HZ2       LYS  27  -0.283   3.073  -8.270
  209   3HZ   LYS  27          HZ3       LYS  27  -1.396   2.360  -9.338
  210    H    CYS  28           HN       CYS  28   3.068  -0.797  -5.563
  211    HA   CYS  28           HA       CYS  28   4.037   0.245  -2.943
  212   1HB   CYS  28          HB2       CYS  28   4.506  -2.059  -3.282
  213   2HB   CYS  28          HB1       CYS  28   4.949  -1.807  -4.969
  214    H    MET  29           HN       MET  29   6.133   1.421  -2.926
  215    HA   MET  29           HA       MET  29   6.962   2.593  -5.538
  216   1HB   MET  29          HB2       MET  29   5.111   3.872  -4.155
  217   2HB   MET  29          HB1       MET  29   6.487   4.389  -3.183
  218   1HG   MET  29          HG2       MET  29   7.095   4.609  -6.010
  219   2HG   MET  29          HG1       MET  29   5.636   5.515  -5.611
  220   1HE   MET  29          HE1       MET  29   5.896   7.607  -5.679
  221   2HE   MET  29          HE2       MET  29   6.948   8.678  -4.758
  222   3HE   MET  29          HE3       MET  29   5.678   7.779  -3.933
  223    H    ASN  30           HN       ASN  30   9.050   1.688  -5.359
  224    HA   ASN  30           HA       ASN  30  11.269   1.475  -4.568
  225   1HB   ASN  30          HB2       ASN  30  11.025   3.907  -5.030
  226   2HB   ASN  30          HB1       ASN  30  10.487   4.150  -3.368
  227   1HD2  ASN  30          HD21      ASN  30  13.161   2.117  -4.685
  228   2HD2  ASN  30          HD22      ASN  30  14.372   2.844  -3.743
  229    H    GLY  31           HN       GLY  31   9.034   0.457  -2.813
  230   1HA   GLY  31          HA2       GLY  31   9.431  -0.830  -0.781
  231   2HA   GLY  31          HA1       GLY  31  10.627   0.372  -0.296
  232    H    LYS  32           HN       LYS  32   7.661   1.566  -1.603
  233    HA   LYS  32           HA       LYS  32   6.635   2.108   1.161
  234   1HB   LYS  32          HB2       LYS  32   6.842   4.008  -1.203
  235   2HB   LYS  32          HB1       LYS  32   6.144   4.409   0.366
  236   1HG   LYS  32          HG2       LYS  32   8.177   4.766   1.274
  237   2HG   LYS  32          HG1       LYS  32   8.787   3.231   0.656
  238   1HD   LYS  32          HD2       LYS  32   9.954   4.320  -0.926
  239   2HD   LYS  32          HD1       LYS  32   8.460   5.008  -1.560
  240   1HE   LYS  32          HE2       LYS  32   9.189   7.035  -0.851
  241   2HE   LYS  32          HE1       LYS  32   9.025   6.446   0.816
  242   1HZ   LYS  32          HZ1       LYS  32  11.261   6.804   0.777
  243   2HZ   LYS  32          HZ2       LYS  32  11.398   6.541  -0.896
  244   3HZ   LYS  32          HZ3       LYS  32  11.250   5.222   0.166
  245    H    CYS  33           HN       CYS  33   4.255   2.691   1.109
  246    HA   CYS  33           HA       CYS  33   2.894   1.197  -1.103
  247   1HB   CYS  33          HB2       CYS  33   2.911   0.598   1.482
  248   2HB   CYS  33          HB1       CYS  33   1.634   1.812   1.542
  249    H    LYS  34           HN       LYS  34   1.479   2.295  -2.373
  250    HA   LYS  34           HA       LYS  34   0.661   5.066  -1.550
  251   1HB   LYS  34          HB2       LYS  34   0.475   4.084  -4.372
  252   2HB   LYS  34          HB1       LYS  34   0.893   5.686  -3.778
  253   1HG   LYS  34          HG2       LYS  34   3.127   5.017  -3.258
  254   2HG   LYS  34          HG1       LYS  34   2.736   3.307  -3.448
  255   1HD   LYS  34          HD2       LYS  34   3.818   3.863  -5.475
  256   2HD   LYS  34          HD1       LYS  34   2.102   3.917  -5.877
  257   1HE   LYS  34          HE2       LYS  34   2.958   6.491  -4.853
  258   2HE   LYS  34          HE1       LYS  34   3.960   6.002  -6.234
  259   1HZ   LYS  34          HZ1       LYS  34   2.076   5.629  -7.557
  260   2HZ   LYS  34          HZ2       LYS  34   1.772   7.114  -6.790
  261   3HZ   LYS  34          HZ3       LYS  34   1.016   5.697  -6.235
  262    H    CYS  35           HN       CYS  35  -1.306   4.396  -0.456
  263    HA   CYS  35           HA       CYS  35  -3.313   3.039  -2.227
  264   1HB   CYS  35          HB2       CYS  35  -2.876   3.095   0.768
  265   2HB   CYS  35          HB1       CYS  35  -4.336   2.433   0.031
  266    H    TYR  36           HN       TYR  36  -5.599   3.749  -1.827
  267    HA   TYR  36           HA       TYR  36  -5.707   6.705  -1.423
  268   1HB   TYR  36          HB2       TYR  36  -7.056   4.648  -3.064
  269   2HB   TYR  36          HB1       TYR  36  -8.126   5.902  -2.436
  270    HD1  TYR  36           HD1      TYR  36  -4.537   6.450  -3.122
  271    HD2  TYR  36           HD2      TYR  36  -8.550   6.985  -4.562
  272    HE1  TYR  36           HE1      TYR  36  -3.708   8.026  -4.847
  273    HE2  TYR  36           HE2      TYR  36  -7.719   8.562  -6.288
  274    HH   TYR  36           HH       TYR  36  -4.375   8.919  -6.989
  275    HA   PRO  37           HA       PRO  37  -7.933   6.408   2.362
  276   1HB   PRO  37          HB2       PRO  37  -9.879   8.389   1.612
  277   2HB   PRO  37          HB1       PRO  37  -8.442   8.603   2.617
  278   1HG   PRO  37          HG2       PRO  37  -8.875   9.555  -0.056
  279   2HG   PRO  37          HG1       PRO  37  -7.440   9.761   0.952
  280   1HD   PRO  37          HD2       PRO  37  -7.745   8.074  -1.371
  281   2HD   PRO  37          HD1       PRO  37  -6.298   8.282  -0.352