*HEADER    ELECTRON TRANSPORT                      20-SEP-01   1K0T              
*TITLE     NMR SOLUTION STRUCTURE OF UNBOUND, OXIDIZED PHOTOSYSTEM I             
*TITLE    2 SUBUNIT PSAC, CONTAINING [4FE-4S] CLUSTERS FA AND FB                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PSAC SUBUNIT OF PHOTOSYSTEM I;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS SP. PCC 7002;                     
*SOURCE   3 GENE: PSAC;                                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 DE3;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-3D                                    
*KEYWDS    IRON-SULFUR PROTEIN, NMR, SOLUTION STRUCTURE, PARAMAGNETIC,           
*KEYWDS   2 CONFORMATIONAL CHANGE, ELECTRON TRANSPORT, PHOTOSYSTEM I,            
*KEYWDS   3 PSAC                                                                 
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    M.L.ANTONKINE, G.LIU, D.BENTROP, D.A.BRYANT, I.BERTINI,               
*AUTHOR   2 C.LUCHINAT, J.H.GOLBECK, D.STEHLIK                                   
*REVDAT   1   05-JUN-02 1K0T    0                                                
3Japr7.aco0100644000033200003110000000076507352403770012154 0ustar  psacprojects#19 ALA   PHI        -80.0   -30.0
#27 MET   PHI        -80.0   -30.0
#30 TRP   PHI        -80.0   -30.0
 33 CYSN  PHI        -80.0   -30.0 #34 is ok so keep
#37 GLN   PHI        -80.0   -30.0
#40 SER   PHI        -80.0   -30.0
43 ARG+  PHI       -165.0   -85.0
45 GLU-  PHI    -80.0    -30.0 
61 PHE   PHI       -165.0   -85.0
67 TYR   PHI       -165.0   -85.0
68 LEU   PHI        -80.0   -30.0
#70 ALA   PHI        -80.0   -30.0
#71 GLU-  PHI        -80.0   -30.0
#79 ALA   PHI        -80.0   -30.0
HB-PsaC.lol0100640000033200003110000000155007352403736012236 0ustar  psacprojects  9 THR
         HN     7 TYR  O      1.80
  9 THR
          N      7 TYR  O      2.40
11 ILE 
         HN   10 CYS  SE    1.80
11 ILE
          N    10 CYS  SE    2.40
17 VAL
         HN   15 GLN  O      1.80
17 VAL
          N    15 GLN  O      2.40
24 VAL
         HN   20 CYS  SG    1.80
24 VAL
           N   20 CYS  SG    2.40 
26 GLU-
         HN   40 SER  O      1.80
26 GLU-
           N   40 SER  O      2.40
28 VAL 
         HN   38 ILE   O      1.80
28 VAL 
           N   38 ILE   O      2.40
30 TRP
         HN   36 GLY  O      1.80
30 TRP
           N   36 GLY  O      2.40
36 GLY
         HN   33 CYSN O     1.80
36 GLY
          N   33 CYSN O      2.40
40 SER
        HN   26 GLU- O      1.80
40 SER
          N   26 GLU- O      2.40
50 CYS
        HN   50 CYS  SE     1.80
50 CYS
          N   50 CYS  SE     2.40 # not exchangable in reduced structure

HB-PsaC.upl0100644000033200003110000000155007352403736012254 0ustar  psacprojects  9 THR
         HN     7 TYR  O      2.40
  9 THR
          N      7 TYR  O      3.40
11 ILE 
         HN   10 CYS  SE    2.40
11 ILE
          N    10 CYS  SE    3.40
17 VAL
         HN   15 GLN  O      2.40
17 VAL
          N    15 GLN  O      3.40
24 VAL
         HN   20 CYS  SG    2.40
24 VAL
           N   20 CYS  SG    3.40 
26 GLU-
         HN   40 SER  O      2.40
26 GLU-
           N   40 SER  O      3.40
28 VAL 
         HN   38 ILE   O      2.40
28 VAL 
           N   38 ILE   O      3.40
30 TRP
         HN   36 GLY  O      2.40
30 TRP
           N   36 GLY  O      3.40
36 GLY
         HN   33 CYSN O     2.40
36 GLY
          N   33 CYSN O      3.40
40 SER
        HN   26 GLU- O      2.40
40 SER
          N   26 GLU- O      3.40
50 CYS
        HN   50 CYS  SE     2.40
50 CYS
          N   50 CYS  SE     3.40 # not exchangable in reduced structure

apr8d15.upl0100644000033200003110000025534007352403645012332 0ustar  psacprojects  2 HIS  
         HA      2 HIS  HB2     4.30  #     2     4485.0  e   apr8    1167
         HA      2 HIS  HB3     3.70  #     2    10420.0  e   apr8    1166
         HA      3 SER  HN      2.90  #     2    53450.0  e   apr8    1163
         HA     67 TYR  HN      6.30  #   w 4      242.0  e   apr8    1170
         HA     68 LEU  HN      5.70  #     4      580.0  e   apr8    1171
         HB2     3 SER  HN      3.90  #     2     7811.0  e   apr8    1165
         HB3     3 SER  HN      3.80  #     2     8939.0  e   apr8    1164
         HD1     2 HIS  HE1     3.10  #     1    43980.0  e   apr8    2307
  3 SER  
         HN      3 SER  HA      3.60  #     2    14140.0  e   apr8     117
         HN      3 SER  HB2     3.90  #     2     7960.0  e   apr8     126
         HN      3 SER  HB3     3.60  #     2    12890.0  e   apr8     119
         HN      4 VAL  HN      4.70  #     2     2744.0  e   apr8    1820
         HN     67 TYR  HN      3.70  #     4     8118.0  e   apr8    1153
         HN     67 TYR  HB2     6.30 >#   w 5     1084.0  e   apr8    1721
         HN     67 TYR  HB3     5.50 <#     5     4540.0  e   apr8     871
         HN     67 TYR  QD      8.30  # r w 5     1162.5*2e   apr8    1156
         HN     68 LEU  HN      4.90  #     4     1606.0  e   apr8    1732
         HN     68 LEU  HA      5.20  #     4     1102.0  e   apr8    1731
         HA      3 SER  HB2     3.40  #     2    19210.0  e   apr8     127
         HA      3 SER  HB3     3.20  #     2    24880.0  e   apr8     124
         HA      4 VAL  HN      3.00  #     2    43530.0  e   apr8    1818
         HA      5 LYS+ HN      4.60  #     3     2927.0  e   apr8    1960
         HA     67 TYR  HN      3.90  #     4     6296.0  e   apr8     857
         HA     67 TYR  HB3     6.30  #   w 5      894.0  e   apr8    1720
         HA     67 TYR  QD      8.30  # r w 5      802.0*2e   apr8     876
         HB2     4 VAL  HN      3.80  #     2     9336.0  e   apr8    1817
         HB2    67 TYR  HN      6.30  #   w 5     1071.0  e   apr8    1729
         HB2    67 TYR  HB2     5.20  #     5     6413.0  e   apr8    1724
         HB2    67 TYR  HB3     5.60  #     5     4347.0  e   apr8    1726
         HB2    67 TYR  QD      7.80  # r   5     3518.5*2e   apr8     875
         HB2    67 TYR  QE      8.30  # r w 5     1205.0*2e   apr8    1159
         HB3     4 VAL  HN      4.10  #     2     5890.0  e   apr8    1816
         HB3    67 TYR  HN      6.30  #   w 5     1005.0  e   apr8     869
         HB3    67 TYR  HB2     4.90  #     5     9031.0  e   apr8    1725
         HB3    67 TYR  HB3     5.40  #     5     5194.0  e   apr8    1727
         HB3    67 TYR  QD      7.60  # r   5     4207.5*2e   apr8     874
         HB3    67 TYR  QE      8.30  # r w 5     1333.0*2e   apr8    1160
  4 VAL  
         HN      4 VAL  HA      3.40  #     2    18940.0  e   apr8     376
         HN      4 VAL  HB      3.90  #     2     8742.0  e   apr8     377
         HN      4 VAL  QG2     6.00  #     1M    1054.0  e   apr8     378
         HN      5 LYS+ HN      4.50  #     2     3384.0  e   apr8    1942
         HA      4 VAL  HB      4.70  #     2     2706.0  e   apr8     380
         HA      5 LYS+ HN      3.60  #     2    12980.0  e   apr8    1938
         HB      4 VAL  QG2     3.30  #   s 1M   50900.0  e   apr8     382
         HB      5 LYS+ HN      6.20  #     2      494.0  e   apr8    1943
         QG1     5 LYS+ HN      7.30 >#   w 5M     205.0  e   apr8    1940
         QG2     5 LYS+ HN      6.50 <#     5M    3461.0  e   apr8    1941
  5 LYS+ 
         HN      5 LYS+ HA      3.90  #     2     7922.0  e   apr8      27
         HN      5 LYS+ HB2     3.50  #     2    16250.0  e   apr8      39
         HN      5 LYS+ HB3     3.50  #     2    15790.0  e   apr8      47
         HN      5 LYS+ HG2     4.70  #     1     3231.0  e   apr8    1800
         HN      5 LYS+ HG3     4.30  #     1     5548.0  e   apr8      58
         HN      5 LYS+ QD      6.20  # m   1     1701.0*2e   apr8      56
         HN      6 ILE  HN      4.70  #     2     2732.0  e   apr8    1792
         HN      7 TYR  QE      8.30  # r w 5      605.5*2e   apr8     861
         HN     65 ARG+ HB3     6.30  #   w 5     1609.0  e   apr8    1856
         HN     67 TYR  QD      8.20  # r   5     2174.0*2e   apr8     863
         HN     67 TYR  QE      8.30  # r w 5     1360.5*2e   apr8     862
         HA      5 LYS+ HB2     3.20  #     2    27800.0  e   apr8      38
         HA      5 LYS+ HB3     3.20  #     2    29640.0  e   apr8      48
         HA      5 LYS+ HG2     3.70  #     1    14340.0  e   apr8      43
         HA      5 LYS+ HG3     3.50  #     1    19850.0  e   apr8    1801
         HA      5 LYS+ QD      4.80  # m   1    11535.0*2e   apr8      52
         HA      5 LYS+ HE2     4.90  #     1     2468.0  e   apr8    1912
         HA      5 LYS+ HE3     5.30  #     1     1512.0  e   apr8    1913
         HA      6 ILE  HN      2.80  #     2    65970.0  e   apr8     859
         HA      6 ILE  QD1     4.40  #     5M   34310.0  e   apr8    1932
         HA      7 TYR  HN      6.30  #   w 3      175.0  e   apr8    1970
         HA      7 TYR  QE      8.30  # r w 5     1731.5*2e   apr8    1782
         HA     67 TYR  QE      8.30  # r w 5     1828.0*2e   apr8    1831
         HB2     5 LYS+ HG2     3.80  #     1    11920.0  e   apr8      42
         HB2     5 LYS+ HG3     3.40  #     1    23260.0  e   apr8    1805
         HB2     5 LYS+ QD      5.40 ># m   1     5095.0*2e   apr8      41
         HB2     5 LYS+ HE2     4.50  #     1     4154.0  e   apr8    1918
         HB2     5 LYS+ HE3     4.10  #     1     6816.0  e   apr8    1914
         HB2     6 ILE  HN      4.40  #     2     3972.0  e   apr8    2337
         HB2     7 TYR  QE      7.50  # r   5     4561.0*2e   apr8    1837
         HB2    65 ARG+ HN      6.30  #   w 5      778.0  e   apr8    1857
         HB2    67 TYR  QD      7.90  # r   5     3068.5*2e   apr8    1832
         HB2    67 TYR  QE      6.50  # r   5    16655.0*2e   apr8    1826
         HB3     5 LYS+ HG2     4.10  #     1     6882.0  e   apr8    1799
         HB3     5 LYS+ HG3     3.90  #     1     9318.0  e   apr8      57
         HB3     5 LYS+ QD      4.20 <# m   1    31620.0*2e   apr8      50
         HB3     6 ILE  HN      3.90  #     2     7933.0  e   apr8    1929
         HB3    67 TYR  QD      7.80  # r   5     3431.0*2e   apr8    1833
         HB3    67 TYR  QE      7.00  # r   5     8115.0*2e   apr8    1827
         HG2     5 LYS+ QD      6.10 ># m   1     1880.5*2e   apr8      53
         HG2     5 LYS+ HE2     3.80  #     1    11150.0  e   apr8    1920
         HG2     5 LYS+ HE3     3.90  #     1     9991.0  e   apr8    1916
         HG2     6 ILE  HN      6.30  #   w 5     1670.0  e   apr8    1927
         HG2    67 TYR  QD      8.10  # r   5     2400.0*2e   apr8    1835
         HG2    67 TYR  QE      7.20  # r   5     6765.0*2e   apr8    1829
         HG3     5 LYS+ QD      4.80 <# m   1    11480.0*2e   apr8    1802
         HG3     5 LYS+ HE2     4.10  #     1     7354.0  e   apr8    1921
         HG3     5 LYS+ HE3     3.70  #     1    13900.0  e   apr8    1917
         HG3     6 ILE  HN      6.30  #   w 5     1399.0  e   apr8    1928
         HG3     7 TYR  QE      7.60  # r   5     4001.5*2e   apr8    1838
         HG3    65 ARG+ HN      6.30  #   w 5      571.0  e   apr8    1854
         HG3    65 ARG+ QD      6.10  # m   5     7000.0*2e   apr8    1855
         HG3    67 TYR  QD      7.70  # r   5     3595.5*2e   apr8    1836
         HG3    67 TYR  QE      7.20  # r   5     6370.0*2e   apr8    1830
         QD      5 LYS+ HE2     4.40  # m   1    21700.0*2e   apr8    1919
         QD      5 LYS+ HE3     4.40  # m   1    21635.0*2e   apr8    1915
         QD      6 ILE  HN      7.30  # m   5     2056.5*2e   apr8    1926
         QD     67 TYR  QD      9.30  # mrw 5     1200.0*4e   apr8    1834
         QD     67 TYR  QE      9.10  # mr  5     2440.8*4e   apr8    1828
         HE2     7 TYR  QE      8.30  # r w 5     1092.0*2e   apr8    2021
         HE2    67 TYR  QE      8.30  # r w 5      583.5*2e   apr8    2019
         HE3     7 TYR  QE      8.20  # r   5     2247.0*2e   apr8    2020
         HE3    67 TYR  QE      8.30  # r w 5      794.5*2e   apr8    2018
  6 ILE  
         HN      6 ILE  HA      4.40  #     2     4025.0  e   apr8     302
         HN      6 ILE  HB      3.40  #     2    18610.0  e   apr8     308
         HN      6 ILE  QG2     4.70  #     1M    4438.0  e   apr8     311
         HN      6 ILE  HG12    6.30  #   w 1         .0  e   apr8    1899
         HN      6 ILE  HG13    6.20  #     1      599.0  e   apr8    1898
         HN      6 ILE  QD1     4.00  #     1M   11360.0  e   apr8    1903
         HN      7 TYR  QD      8.20  # r   5     2223.0*2e   apr8    2002
         HN      7 TYR  QE      8.30  # r w 5      884.5*2e   apr8    2003
         HA      6 ILE  HB      4.40  #     2     3697.0  e   apr8     309
         HA      6 ILE  QG2     4.50  #     1M    5878.0  e   apr8     310
         HA      6 ILE  QD1     5.40  #     1M    1900.0  e   apr8    1902
         HA      7 TYR  HN      2.80  #     2    66300.0  e   apr8    1969
         HA      7 TYR  QD      7.60  # r   5     4425.0*2e   apr8    1972
         HA      7 TYR  QE      8.30  # r w 5      697.5*2e   apr8    1973
         HA     41 SER  HB2     6.10  #     5     2557.0  e   apr8    2056
         HA     41 SER  HB3     6.30  #   w 5         .0  e   apr8    2055
         HB      6 ILE  QG2     7.30  #   w 1M        .0  e   apr8    1906
         HB      6 ILE  HG12    6.30 >#   w 1      378.0  e   apr8    1901
         HB      6 ILE  HG13    5.00 <#     1     2103.0  e   apr8    1900
         HB      6 ILE  QD1     4.00  #     1M   12840.0  e   apr8    1907
         HB     41 SER  HN      6.20  #     5     2339.0  e   apr8    1988
         HG12    6 ILE  QD1     6.80 <#     1M     479.0  e   apr8    1904
         HG13    6 ILE  QD1     7.30 >#   w 1M     119.0  e   apr8    1905
         QD1    41 SER  HN      5.40  #     5M   10270.0  e   apr8    1989
         QD1    41 SER  HA      7.30  #   w 5M    1095.0  e   apr8    1995
         QD1    41 SER  HB2     5.90  #     5M    5959.0  e   apr8    1993
         QD1    41 SER  HB3     6.20  #     5M    4553.0  e   apr8    1992
  7 TYR  
         HN      7 TYR  HA      4.50  #     2     3546.0  e   apr8      59
         HN      7 TYR  HB2     3.70 <#     2    11210.0  e   apr8      61
         HN      7 TYR  HB3     4.30 >#     2     4440.0  e   apr8      60
         HN      7 TYR  QD      5.60  # r   1    15755.0*2e   apr8    1869
         HN      7 TYR  QE      6.80  # m   1      909.0*2e   apr8    1998
         HN      8 ASP- HN      5.00  #     2     1875.0  e   apr8    1790
         HN      9 THR  HN      4.50  #     3     3351.0  e   apr8     766
         HA      7 TYR  HB2     3.40  #     2    17980.0  e   apr8      69
         HA      7 TYR  HB3     3.30  #     2    20910.0  e   apr8      66
         HA      7 TYR  QD      4.80  # m   1    10980.0*2e   apr8     767
         HA      7 TYR  QE      6.40  # i   1      897.0*2e   apr8     794
         HA      8 ASP- HN      2.70  #     2    77570.0  e   apr8     771
         HA      8 ASP- HA      4.90  #     2     1973.0  e   apr8    1788
         HB2     7 TYR  QD      5.60  # r   1    17225.0*2e   apr8    2073
         HB2     7 TYR  QE      7.10  # r   1     2006.0*2e   apr8     792
         HB2     8 ASP- HN      3.90 >#     2     8264.0  e ! apr8     773
         HB2     9 THR  HN      3.40  #     3    18520.0  e   apr8     769
         HB2     9 THR  QG2     5.90  #     5M    5991.0  e   apr8    1896
         HB3     7 TYR  QD      5.10  # r   1    39915.0*2e   apr8    2070
         HB3     7 TYR  QE      6.70  # r   1     3359.0*2e   apr8     793
         HB3     8 ASP- HN      3.20 <#     2    28280.0  e   apr8     772
         HB3     9 THR  HN      3.50  #     3    14970.0  e   apr8     768
         HB3     9 THR  QG2     5.30  #     5M   11340.0  e   apr8    1894
         QD      7 TYR  QE      6.80  # rr  1    70875.0*4e   apr8     795
         QD     62 LEU  QB      9.30  # rmw 5      494.2*4e   apr8    2302
         QD     62 LEU  HG      8.30  # r w 5     1049.5*2e   apr8    2301
         QD     62 LEU  QQD    10.70  # r w 5M    1041.8*4e   apr8    2298
         QD     64 ILE  HA      8.00  # r   5     2689.0*2e ! apr8    2362
         QD     65 ARG+ HB2     7.50  # r   5     4769.5*2e   apr8    1840
         QD     65 ARG+ HB3     7.70  # r   5     3691.5*2e   apr8    1841
         QD     65 ARG+ HG2     8.30  # r   5     2001.5*2e   apr8    1842
         QD     65 ARG+ QD      9.30  # rmw 5      573.0*4e   apr8    1839
         QE     62 LEU  HN      8.30  # r w 5      357.0*2e   apr8    2303
         QE     64 ILE  HA      8.10  # r   5     2426.0*2e   apr8    2363
         QE     65 ARG+ HN      7.30  # r   5     5750.0*2e   apr8    1849
         QE     65 ARG+ HB2     6.70  # r   5    11550.0*2e   apr8    2060
         QE     65 ARG+ HB3     6.50  # r   5    14860.0*2e   apr8    1851
         QE     65 ARG+ HG2     7.00  # r   5     8645.0*2e   apr8    1852
         QE     65 ARG+ QD      8.30  # rm  5     5752.5*4e   apr8    2059
  8 ASP- 
         HN      8 ASP- HA      3.30  #     2    21700.0  e   apr8     149
         HN      8 ASP- HB2     3.50  #     2    16740.0  e   apr8     150
         HN      8 ASP- HB3     3.10  #     2    33760.0  e   apr8     151
         HN      9 THR  HN      3.20  #     2    24980.0  e   apr8     770
         HN      9 THR  QG2     5.70  #     5M    7349.0  e   apr8     774
         HN     10 CYS  HN      6.30  #   w 3      255.0  e   apr8    2317
         HN     30 TRP  HE3     5.60  #     5     4108.0  e ! apr8     775
         HA      8 ASP- HB2     2.90  #     2    47280.0  e   apr8     156
         HA      8 ASP- HB3     2.90  #     2    46080.0  e   apr8     159
         HA      9 THR  HN      3.80  #     2     9846.0  e   apr8    2316
         HA     10 CYS  HN      5.20  #     3     1267.0  e   apr8    2312
         HA     30 TRP  HE3     4.60  #     5    14660.0  e   apr8     788
         HA     30 TRP  HE1     6.30  #   w 5     1147.0  e   apr8     776
         HA     38 ILE  QG2     7.10  #     5M    1907.0  e   apr8    2330
         HB2     9 THR  HN      5.40  #     2     1135.0  e   apr8    1145
         HB2    30 TRP  HE3     3.80  #     5    43390.0  e   apr8     789
         HB2    30 TRP  HE1     6.30  #   w 5     1203.0  e   apr8    2344
         HB2    38 ILE  QD1     6.70  #     5M    2743.0  e   apr8    2331
         HB3     9 THR  HN      4.70  #     2     2507.0  e   apr8    1146
         HB3    10 CYS  HN      6.30  #   w 3      214.0  e   apr8    2318
         HB3    30 TRP  HE3     4.00  #     5    32440.0  e   apr8     790
         HB3    30 TRP  HE1     6.30  #   w 5      499.0  e   apr8    1783
  9 THR  
         HN      9 THR  HA      3.50  #     2    15910.0  e   apr8     655
         HN      9 THR  HB      5.20  #     2     1422.0  e   apr8    1858
         HN      9 THR  QG2     3.30  #   s 1M   47180.0  e   apr8    1865
         HN      9 THR  HG1     4.40  #     1     4918.0  e   apr8    1860
         HN     10 CYS  HN      4.10  #     2     6142.0  e ! apr8    1871
         HN     38 ILE  QG2     7.30  #   w 5M     224.0  e   apr8    2332
         HA      9 THR  HB      3.90  #     2     8610.0  e   apr8    1862
         HA      9 THR  QG2     4.10  #     1M   10760.0  e   apr8     878
         HA      9 THR  HG1     4.60  #     1     3820.0  e   apr8    1859
         HA     10 CYS  HN      4.20  #     2     4925.0  e   apr8    1873
         HA     61 PHE  QD      8.30  # r w 5     1257.0*2e   apr8    1867
         HB      9 THR  QG2     3.30  #   s 1M   56610.0  e   apr8     669
         HB      9 THR  HG1     3.40  #     1    21090.0  e   apr8     666
         QG2     9 THR  HG1     3.60  #     1M   23700.0  e   apr8     670
         QG2    10 CYS  HN      6.50  #     5M    3430.0  e   apr8    1874
         QG2    61 PHE  HN      6.40  #     5M    3553.0  e   apr8    1876
         QG2    61 PHE  HB2     6.30 >#     5M    4249.0  e   apr8    1886
         QG2    61 PHE  HB3     5.40 <#     5M   10760.0  e   apr8    1885
         QG2    61 PHE  QD      7.20  # r   5M   12360.0*2e   apr8    2017
         QG2    61 PHE  QE      7.40  # r   5M   10815.0*2e   apr8    2016
         HG1    10 CYS  HN      6.30  #   w 5      374.0  e   apr8    1875
         HG1    60 ASP- HN      6.30  #   w 5      222.0  e   apr8    1888
         HG1    61 PHE  QD      8.20  # r   5     2357.5*2e   apr8    1866
 10 CYS  
         HN     61 PHE  QE      8.30  # r w 5     1184.5*2e   apr8    2334
 11 ILE  
         HN     11 ILE  HA      3.70  #     2    11000.0  e   apr8     570
         HN     12 GLY  HN      4.70  #     2     2488.0  e   apr8    2333
         HA     11 ILE  HB      4.10  #     2     5606.0  e   apr8     569
         HA     11 ILE  HG12    4.20  #     1     6281.0  e   apr8     715
 15 GLN  
         QB     15 GLN  HE21    7.30  # m w 1      248.5*2e   apr8     955
         QG     15 GLN  HE21    5.80  # m   1     2953.0*2e   apr8    2081
         QG     15 GLN  HE22    5.60  # m   1     3600.0*2e   apr8     952
         QG     55 THR  HN      6.30  # m   5     5945.0*2e   apr8    1987
         QG     55 THR  QG2     8.30  # m w 5M     208.0*2e   apr8    2082
         HE21   55 THR  HN      5.70  #     5     3764.0  e   apr8    1986
         HE21   56 ALA  QB      7.30 >#   w 5M     211.0  e   apr8    2075
         HE22   55 THR  HA      6.30  #   w 5     1285.0  e   apr8    2077
         HE22   55 THR  HB      6.30  #   w 5      800.0  e   apr8    2078
         HE22   56 ALA  HA      6.30  #   w 5     1075.0  e   apr8    2076
         HE22   56 ALA  QB      7.00 <#     5M    2100.0  e   apr8    2074
 17 VAL  
         HN     17 VAL  HA      5.20  #     2     1423.0  e   apr8    2249
         HN     17 VAL  HB      3.70  #     2    10980.0  e   apr8    2256
         HN     17 VAL  QQG     8.50  # s   1M     493.5*2e   apr8    2250
         HN     18 ARG+ HN      4.50  #     2     3361.0  e   apr8    2263
         HN     18 ARG+ HD2     6.30  #   w 5     1145.0  e   apr8    2269
         HN     18 ARG+ HD3     6.30  #   w 5      525.0  e   apr8    2268
         HA     17 VAL  HB      3.80  #     2     9461.0  e   apr8    2254
         HA     17 VAL  QQG     4.40  # i   1M   15595.0*2e   apr8    2248
         HA     18 ARG+ HN      3.80  #     2     9559.0  e   apr8    1980
         HA     18 ARG+ HA      5.90  #     2      678.0  e   apr8    2265
         HA     26 GLU- HN      6.30  #   w 4      213.0  e   apr8    2257
         HA     26 GLU- HA      5.50  #     4      774.0  e   apr8    2260
         HB     17 VAL  QQG     4.90  #     1M   25960.0*2e   apr8    2247
         HB     18 ARG+ HN      4.10  #     2     5942.0  e   apr8    1981
         HB     18 ARG+ HA      5.30  #     2     1304.0  e   apr8    2264
         QQG    18 ARG+ HN      7.40  #     5M    5345.0*2e   apr8    1982
         QQG    18 ARG+ HA      8.50  #     5M    2056.5*2e   apr8    2261
         QQG    18 ARG+ HD2     8.60  #     5M    1829.0*2e   apr8    2266
         QQG    18 ARG+ HD3     8.70  #   w 5M    1015.0*2e   apr8    2267
         QQG    19 ALA  HN      8.70  #   w 5M     220.5*2e   apr8    1983
         QQG    26 GLU- HN      7.80  #     5M    3644.0*2e   apr8    1415
         QQG    26 GLU- HA      6.20  #     5M   20240.0*2e   apr8    2259
         QQG    27 MET  HN      7.00  #     5M    7970.0*2e   apr8    2243
         QQG    27 MET  HA      8.40  #     5M    2152.0*2e   apr8    2251
         QQG    27 MET  HG3     8.70  #   w 5M     660.5*2e   apr8    2253
 18 ARG+ 
         HN     18 ARG+ HA      3.60  #     2    14040.0  e   apr8     602
         HN     18 ARG+ HB2     3.10  #     2    31120.0  e   apr8     622
         HN     18 ARG+ HB3     3.40  #     2    17910.0  e   apr8     617
         HN     18 ARG+ QG      4.70  # m   1    13255.0*2e   apr8    2346
         HN     18 ARG+ HD2     4.90  #     1     2388.0  e   apr8    2350
         HN     18 ARG+ HD3     4.80  #     1     2984.0  e   apr8     613
         HN     19 ALA  HN      3.90  #     2     8169.0  e   apr8    1979
         HA     18 ARG+ HB2     3.00  #     2    43790.0  e   apr8     603
         HA     18 ARG+ HB3     3.00  #     2    40800.0  e   apr8     618
         HA     18 ARG+ QG      4.20  # i   1    15630.0*2e   apr8    2345
         HA     18 ARG+ HD2     3.90  #     1     9881.0  e   apr8     609
         HA     18 ARG+ HD3     4.10  #     1     7020.0  e   apr8    2351
         HA     19 ALA  HN      5.00  #     2     1804.0  e   apr8     894
         HB2    18 ARG+ HD2     2.90  #     1    55820.0  e   apr8     611
         HB2    18 ARG+ HD3     4.10  #     1     6884.0  e   apr8     625
         HB2    19 ALA  HN      3.30 <#     2    24440.0  e   apr8     892
         HB3    18 ARG+ QG      4.10  # m   1    42420.0*2e   apr8    2349
         HB3    18 ARG+ HD2     3.50  #     1    18470.0  e   apr8     610
         HB3    18 ARG+ HD3     4.60  #     1     3798.0  e   apr8     620
         HB3    19 ALA  HN      4.30 >#     2     4334.0  e   apr8     893
         QG     18 ARG+ HD2     4.50  # m   1    18700.0*2e   apr8    2347
         QG     18 ARG+ HD3     4.60  # m   1    14865.0*2e   apr8    2348
 19 ALA  
         HN     19 ALA  HA      3.70  #     2    12070.0  e   apr8     596
         HN     19 ALA  QB      3.40  #     2M   16510.0  e   apr8     856
 25 LEU  
         HN     25 LEU  HA      6.10  #     2      564.0  e   apr8     675
         HN     25 LEU  HB2     4.20  #     2     5278.0  e   apr8     680
         HA     25 LEU  HB3     5.40  #     2     1131.0  e   apr8     678
         HA     25 LEU  HG      3.60  #     1    15100.0  e   apr8     685
         HA     26 GLU- HN      3.10  #     2    31040.0  e   apr8    1130
         HA     26 GLU- HB2     6.30  #   w 2      350.0  e   apr8    2050
         HA     26 GLU- HB3     6.30  #     2      445.0  e   apr8    2051
         HA     41 SER  HN      5.80  #     4      521.0  e   apr8    2046
         HA     41 SER  HB2     6.30  #   w 5      938.0  e   apr8    2054
         HA     41 SER  HB3     6.30  #     5     2093.0  e   apr8    2053
         HA     42 PRO  QG      7.30  # m w 5      367.5*2e   apr8    2052
         HA     42 PRO  QD      7.00  # m   5     2792.0*2e   apr8    2048
         HB2    26 GLU- HN      5.10 >#     2     1536.0  e   apr8    1131
         HB3    25 LEU  HG      3.40  #     1    21420.0  e   apr8     683
         HB3    26 GLU- HN      4.30 <#     2     4258.0  e   apr8    1132
 26 GLU- 
         HN     26 GLU- HA      3.30  #     2    21250.0  e   apr8     205
         HN     26 GLU- HB2     3.70  #     2    11090.0  e   apr8     209
         HN     26 GLU- HB3     3.90  #     2     8720.0  e   apr8     204
         HN     26 GLU- QG      7.10  # m   1      671.5*2e   apr8    2354
         HN     27 MET  HN      4.60  #     2     2911.0  e   apr8    1134
         HN     28 VAL  QG1     7.30  #     5M    1749.0  e   apr8    1225
         HN     40 SER  HN      3.60  #     4     9790.0  e   apr8    1219
         HN     40 SER  HA      5.00  #     4     1397.0  e   apr8    1217
         HN     40 SER  HB3     6.30  #   w 5      474.0  e   apr8    1216
         HN     41 SER  HN      4.70  #     4     1968.0  e ! apr8     868
         HN     41 SER  HA      3.80  #     4     7510.0  e   apr8     867
         HN     41 SER  HB2     6.30  #   w 5     1953.0  e   apr8     866
         HN     41 SER  HB3     6.30  #     5     2089.0  e   apr8     865
         HN     42 PRO  QD      6.70  # m   5     3712.0*2e   apr8    1237
         HN     43 ARG+ HN      6.10  #     4      389.0  e   apr8    1409
         HA     26 GLU- HB2     3.20  #     2    27750.0  e   apr8     208
         HA     26 GLU- HB3     3.00  #     2    42630.0  e   apr8     212
         HA     27 MET  HN      2.90  #     2    51000.0  e   apr8     838
         HA     28 VAL  HN      6.30  #   w 3      115.0  e   apr8    1220
         HA     42 PRO  QD      7.30  # m w 5      342.0*2e   apr8    1241
         HB2    27 MET  HN      3.60 >#     2    12300.0  e   apr8    2356
         HB2    28 VAL  HN      5.90  #     3      619.0  e ! apr8    1221
         HB2    41 SER  HA      6.30  #   w 5      358.0  e   apr8    1234
         HB2    42 PRO  QD      6.10  # m   5     7315.0*2e   apr8    1245
         HB3    27 MET  HN      3.10 <#     2    33040.0  e   apr8    2355
         HB3    28 VAL  HN      6.30  #   w 3      372.0  e   apr8    1222
         HB3    42 PRO  QD      6.30  # m   5     5630.0*2e   apr8    1246
 27 MET  
         HN     27 MET  HA      3.60  #     2    13230.0  e   apr8      96
         HN     27 MET  HB2     3.90  #     2     8445.0  e   apr8     105
         HN     27 MET  HB3     3.50  #     2    16990.0  e   apr8     110
         HN     27 MET  HG2     3.70  #     1    12890.0  e   apr8     837
         HN     27 MET  HG3     3.50  #     1    20420.0  e   apr8     836
         HN     28 VAL  HN      4.50  #     2     3261.0  e ! apr8    1080
         HN     39 ALA  QB      7.30  #   w 5M    1548.0  e   apr8    1423
         HA     27 MET  HB2     3.60  #     2    12970.0  e   apr8     104
         HA     27 MET  HB3     3.60  #     2    13360.0  e   apr8     109
         HA     27 MET  HG2     5.30  #     1     1534.0  e   apr8    1426
         HA     27 MET  HG3     5.50  #     1     1262.0  e   apr8     113
         HA     28 VAL  HN      2.80  #     2    62130.0  e   apr8     834
         HA     28 VAL  QG1     5.60  #     5M    8109.0  e   apr8    1429
         HA     28 VAL  QG2     5.30  #     5M   11730.0  e   apr8    1430
         HA     38 ILE  HN      5.40  #     4      809.0  e   apr8    1114
         HA     40 SER  HN      4.30  #     4     3137.0  e   apr8    1375
         HB2    27 MET  HG2     4.50  #     1     3891.0  e   apr8    2240
         HB2    27 MET  HG3     5.00  #     1     2307.0  e   apr8    2239
         HB2    28 VAL  HN      4.00  #     2     7177.0  e   apr8     830
         HB3    27 MET  HG2     4.00  #     1     8273.0  e   apr8     111
         HB3    27 MET  HG3     4.00  #     1     8216.0  e   apr8     112
         HB3    28 VAL  HN      4.20  #     2     5329.0  e   apr8     831
         HG2    28 VAL  HN      6.30  #   w 5     1068.0  e   apr8     833
         HG3    28 VAL  HN      6.30  #   w 5      820.0  e   apr8     832
         HG3    28 VAL  QG1     7.00  #     5M    2189.0  e   apr8    2272
         HG3    28 VAL  QG2     7.30  #   w 5M    1561.0  e   apr8    2273
 28 VAL  
         HN     28 VAL  HA      4.60  #     2     3167.0  e   apr8      76
         HN     28 VAL  HB      3.80  #     2     8983.0  e ! apr8      85
         HN     28 VAL  QG1     4.00 >#     1M   11490.0  e   apr8      89
         HN     28 VAL  QG2     3.30 <#   s 1M   46700.0  e   apr8      93
         HN     29 PRO  HA      5.70  #     2      816.0  e   apr8    1085
         HN     29 PRO  HD2     6.30  #   w 5     1467.0  e   apr8    1087
         HN     29 PRO  HD3     5.90  #     5     3174.0  e   apr8    1086
         HN     30 TRP  HN      5.50  #     3      936.0  e   apr8    1495
         HN     37 GLN  HA      4.20  #     4     3735.0  e   apr8    1076
         HN     37 GLN  HB2     6.30  #   w 5     1751.0  e   apr8    1077
         HN     37 GLN  HB3     6.20  #     5     2195.0  e   apr8    2283
         HN     38 ILE  HN      3.30  #     4    15560.0  e   apr8    1081
         HN     38 ILE  QG2     5.50  #     5M    9624.0  e   apr8    1435
         HN     40 SER  HN      4.70  #     4     1990.0  e   apr8    1457
         HN     40 SER  HB2     6.30  #   w 5     1509.0  e   apr8    1500
         HN     40 SER  HB3     6.30  #   w 5     1173.0  e   apr8    1459
         HA     28 VAL  HB      3.50  #     2    17040.0  e   apr8      84
         HA     28 VAL  QG1     3.30 <#   s 1M   86070.0  e   apr8      88
         HA     28 VAL  QG2     3.90 >#     1M   13170.0  e   apr8      92
         HA     29 PRO  HG2     5.20  #     5     6836.0  e   apr8    2275
         HA     29 PRO  HG3     5.80  #     5     3290.0  e   apr8    2274
         HA     29 PRO  HD2     6.30  #   w 5     1110.0  e   apr8    1482
         HA     40 SER  HN      6.00  #     4      467.0  e   apr8    1456
         HB     28 VAL  QG1     3.30  #   s 1M   99700.0  e   apr8      90
         HB     28 VAL  QG2     3.30  #   s 1M   90920.0  e   apr8      94
         HB     29 PRO  HD2     3.70  #     5    51510.0  e   apr8    1477
         HB     29 PRO  HD3     3.80  #     5    45110.0  e   apr8    1478
         HB     38 ILE  HN      5.20  #     5     6513.0  e   apr8    1446
         HB     38 ILE  QG2     5.90  #     5M    5842.0  e   apr8    1436
         HB     40 SER  HN      5.30  #     5     5936.0  e   apr8    1473
         QG1    29 PRO  HA      7.00  #     5M    2101.0  e   apr8    1489
         QG1    29 PRO  HG3     6.80  #     5M    2582.0  e   apr8    2277
         QG1    29 PRO  HD2     4.90  #     5M   18370.0  e   apr8    1486
         QG1    29 PRO  HD3     4.90  #     5M   17850.0  e   apr8    1479
         QG1    38 ILE  HN      7.30 >#   w 5M     318.0  e   apr8    1445
         QG1    38 ILE  QG2     6.60 ># m   5M    8299.0  e   apr8    1111
         QG1    40 SER  HN      5.10  #     5M   15260.0  e   apr8    1471
         QG1    40 SER  HB2     4.80  #     5M   20750.0  e   apr8    1465
         QG1    40 SER  HB3     5.00  #     5M   16560.0  e   apr8    1461
         QG2    29 PRO  HA      7.30  #     5M    1653.0  e   apr8    1490
         QG2    29 PRO  HB2     7.30  #   w 5M     571.0  e   apr8    1224
         QG2    29 PRO  HG2     7.10  #     5M    1967.0  e   apr8    1493
         QG2    29 PRO  HD2     5.20  #     5M   12420.0  e   apr8    1487
         QG2    29 PRO  HD3     5.70  #     5M    7759.0  e   apr8    1480
         QG2    30 TRP  HB2     6.90  #     5M    2297.0  e   apr8    1499
         QG2    30 TRP  HB3     7.30  #   w 5M    1081.0  e   apr8    1496
         QG2    30 TRP  HD1     7.30  #   w 5M     789.0  e   apr8    1785
         QG2    30 TRP  HE3     7.20  #     5M    1809.0  e   apr8    2282
         QG2    38 ILE  HN      5.00 <#     5M   17220.0  e   apr8    1447
         QG2    38 ILE  QG2     5.00 <# m   5M   66740.0  e   apr8    1112
         QG2    38 ILE  QD1     7.60  # m   5M    3024.0  e   apr8    1113
         QG2    39 ALA  HN      6.60  #     5M    3177.0  e   apr8    1083
         QG2    40 SER  HN      5.70  #     5M    7805.0  e   apr8    1472
         QG2    40 SER  HA      7.30  #   w 5M    1472.0  e   apr8    1469
         QG2    40 SER  HB2     4.80  #     5M   20310.0  e   apr8    1464
         QG2    40 SER  HB3     4.70  #     5M   23450.0  e   apr8    1462
 29 PRO  
         HA     29 PRO  HB2     3.30  #     2    21000.0  e   apr8    1091
         HA     29 PRO  HB3     2.90  #     2    51660.0  e   apr8    1090
         HA     29 PRO  HG2     4.60 >#     1     3432.0  e   apr8    1390
         HA     29 PRO  HG3     3.90 <#     1    10690.0  e   apr8    1391
         HA     29 PRO  HD3     5.80  #     1      852.0  e   apr8    1380
         HA     30 TRP  HN      2.80  #     2    59600.0  e   apr8    1105
         HA     30 TRP  HB2     5.50  #     2     1030.0  e   apr8    2285
         HA     30 TRP  HB3     5.60  #     2      886.0  e   apr8    2286
         HA     37 GLN  HA      3.60  #     4    10070.0  e   apr8    1421
         HB2    29 PRO  HG2     3.00  #     1    44190.0  e   apr8    1404
         HB2    29 PRO  HG3     3.80  #     1    12160.0  e   apr8    1394
         HB2    29 PRO  HD2     3.60  #     1    16260.0  e ! apr8    1392
         HB2    29 PRO  HD3     4.20  #     1     6193.0  e   apr8    1097
         HB2    30 TRP  HN      4.10  #     2     6067.0  e   apr8    1104
         HB3    29 PRO  HG2     3.30  #     1    26490.0  e   apr8    1388
         HB3    29 PRO  HG3     3.20  #     1    33770.0  e   apr8    1385
         HB3    29 PRO  HD2     3.70  #     1    13240.0  e   apr8    1092
         HB3    29 PRO  HD3     3.90  #     1    10420.0  e   apr8    1094
         HB3    37 GLN  HA      5.60  #     5     4305.0  e   apr8    2041
         HG2    29 PRO  HD2     3.30  #     1    26370.0  e   apr8    1099
         HG2    29 PRO  HD3     3.40  #     1    21430.0  e   apr8    1098
         HG2    30 TRP  HN      5.40 <#     5     5309.0  e ! apr8    1512
         HG3    29 PRO  HD2     3.10  #     1    38620.0  e   apr8    1384
         HG3    29 PRO  HD3     3.30  #     1    27110.0  e   apr8    1096
         HG3    30 TRP  HN      6.30 >#   w 5     1704.0  e   apr8    1510
         HD2    30 TRP  HN      6.20  #     5     2322.0  e   apr8    2287
 30 TRP  
         HN     30 TRP  HA      3.80  #     2     9314.0  e   apr8     332
         HN     30 TRP  HB2     3.80  #     2     8979.0  e   apr8     336
         HN     30 TRP  HB3     3.70  #     2    11870.0  e   apr8     334
         HN     30 TRP  HD1     5.50  #     1     1231.0  e   apr8    1749
         HN     30 TRP  HE3     5.00  #     1     2198.0  e   apr8    1745
         HN     31 ASP- HN      4.80  #     2     2374.0  e   apr8    1101
         HN     37 GLN  HN      5.50  #     4      728.0  e   apr8     929
         HN     37 GLN  HA      3.00  #     4    32790.0  e   apr8     927
         HN     37 GLN  HB3     5.20  #     5     6723.0  e   apr8     934
         HN     38 ILE  HN      3.50  #     4    12460.0  e   apr8    1528
         HN     38 ILE  QG2     6.50  #     5M    3263.0  e   apr8    1529
         HN     38 ILE  QD1     7.30  #   w 5M     727.0  e   apr8    1533
         HA     30 TRP  HB2     3.30  #     2    22490.0  e   apr8     339
         HA     30 TRP  HB3     3.80  #     2    10090.0  e   apr8    1405
         HA     30 TRP  HD1     4.70  #     1     3000.0  e   apr8    1751
         HA     30 TRP  HE3     5.00  #     1     2185.0  e   apr8    1742
         HA     30 TRP  HE1     6.20  #     1      600.0  e   apr8     561
         HA     31 ASP- HN      3.40  #     2    20060.0  e   apr8     780
         HA     31 ASP- HB2     4.60  #     2     3166.0  e   apr8    1514
         HA     31 ASP- HB3     5.20  #     2     1401.0  e   apr8    1513
         HA     38 ILE  QG2     6.00  #     5M    5526.0  e   apr8    1544
         HA     38 ILE  QD1     7.30  #   w 5M     541.0  e   apr8    1545
         HB2    30 TRP  HD1     3.80  #     1    11300.0  e   apr8    1752
         HB2    30 TRP  HE3     3.40 <#     1    21530.0  e   apr8    1747
         HB2    30 TRP  HE1     5.40  #     1     1406.0  e   apr8    1757
         HB2    31 ASP- HN      3.90  #     2     7861.0  e   apr8     779
         HB2    31 ASP- HA      6.30 >#   w 2      204.0  e   apr8    1108
         HB2    32 GLY  HN      5.00  #     3     1635.0  e   apr8    1557
         HB2    37 GLN  HN      5.20  #     5     6523.0  e   apr8    1523
         HB2    37 GLN  HA      5.00  #     5     8112.0  e   apr8    1522
         HB2    38 ILE  HN      5.30  #     5     5772.0  e   apr8    1526
         HB2    38 ILE  HB      5.10  #     5     7518.0  e   apr8    1552
         HB2    38 ILE  QG2     4.30  #     5M   40340.0  e   apr8    1541
         HB2    38 ILE  QD1     5.80  #     5M    7118.0  e   apr8    1536
         HB3    30 TRP  HD1     3.50  #     1    18650.0  e   apr8    1753
         HB3    30 TRP  HE3     4.10 >#     1     7333.0  e ! apr8    1748
         HB3    30 TRP  HE1     5.70  #     1      989.0  e   apr8    1754
         HB3    31 ASP- HN      3.90  #     2     7980.0  e   apr8    1102
         HB3    31 ASP- HA      5.90 <#     2      686.0  e   apr8    1515
         HB3    32 GLY  HN      5.60  #     3      792.0  e   apr8    1553
         HB3    37 GLN  HN      5.80  #     5     3453.0  e   apr8     932
         HB3    37 GLN  HA      5.10  #     5     7661.0  e   apr8    1521
         HB3    38 ILE  HN      5.20  #     5     6969.0  e   apr8    1525
         HB3    38 ILE  HB      4.60  #     5    13280.0  e   apr8    1551
         HB3    38 ILE  QG2     4.60  #     5M   27390.0  e   apr8    1540
         HB3    38 ILE  QD1     6.40  #     5M    3633.0  e   apr8    1542
         HD1    30 TRP  HE1     2.50  #     1   151600.0  e ! apr8     565
         HD1    31 ASP- HN      3.80  #     5    47840.0  e   apr8     778
         HD1    31 ASP- HA      5.30  #     5     6017.0  e   apr8    1761
         HD1    31 ASP- HB2     6.10  #     5     2558.0  e   apr8    1763
         HD1    31 ASP- HB3     5.90  #     5     2925.0  e   apr8    1762
         HD1    32 GLY  HN      4.50  #     5    16480.0  e   apr8    1767
         HD1    32 GLY  HA1     5.20  #     5     6468.0  e   apr8    1770
         HD1    32 GLY  HA2     4.50  #     5    14900.0  e   apr8    1771
         HD1    33 CYSN HN      4.80  #     5    10120.0  e   apr8    1778
         HD1    33 CYSN HB3     6.30  #     5     2072.0  e   apr8    1779
         HD1    37 GLN  HA      5.00  #     5     8151.0  e   apr8    2014
         HD1    38 ILE  HN      5.90  #     5     3002.0  e   apr8    2295
         HD1    38 ILE  QG2     5.90  #     5M    6133.0  e   apr8     713
         HD1    38 ILE  QD1     5.10  #     5M   14910.0  e   apr8     714
         HE3    30 TRP  HZ3     2.60  #     1   107100.0  e   apr8     791
         HE3    32 GLY  HN      5.90  #     5     3064.0  e   apr8    1768
         HE3    38 ILE  HN      5.80  #     5     3370.0  e   apr8    2296
         HE3    38 ILE  HB      4.30  #     5    19720.0  e   apr8    1968
         HE3    38 ILE  QG2     5.50  #     5M    9357.0  e   apr8     911
         HE3    38 ILE  QD1     5.90  #     5M    6172.0  e   apr8     910
         HE1    30 TRP  HZ3     5.40  #     1     1433.0  e ! apr8    2281
         HE1    31 ASP- HN      5.30  #     5     5985.0  e   apr8    1766
         HE1    32 GLY  HN      5.30  #     5     5766.0  e   apr8     899
         HE1    32 GLY  HA1     5.30 >#     5     6014.0  e   apr8    1769
         HE1    32 GLY  HA2     4.00 <#     5    30510.0  e   apr8    2045
         HE1    33 CYSN HN      6.30  #   w 5      933.0  e   apr8    1776
         HZ3    31 ASP- HN      6.30  #   w 5      503.0  e   apr8    2288
 31 ASP- 
         HN     31 ASP- HA      3.10  #     2    32690.0  e   apr8     384
         HN     31 ASP- HB2     3.30  #     2    21100.0  e   apr8     391
         HN     31 ASP- HB3     3.50  #     2    15180.0  e   apr8     385
         HN     32 GLY  HN      3.20  #     2    25800.0  e   apr8     897
         HN     32 GLY  HA1     4.60  #     2     3163.0  e   apr8    1568
         HN     32 GLY  HA2     5.20  #     2     1348.0  e   apr8    1569
         HN     33 CYSN HN      4.60  #     3     2583.0  e   apr8     781
         HN     36 GLY  HA2     5.70  #     4      600.0  e   apr8    1107
         HN     37 GLN  HA      5.40  #     4      845.0  e   apr8    2012
         HN     38 ILE  HN      5.40  #     4      874.0  e   apr8    2292
         HN     38 ILE  HB      6.30  #   w 5     1308.0  e   apr8    2289
         HN     38 ILE  QG2     7.00  #     5M    2132.0  e   apr8    2290
         HN     38 ILE  QD1     7.30  #   w 5M     391.0  e   apr8    2291
         HA     31 ASP- HB2     2.70 <#     2    83930.0  e ! apr8     392
         HA     31 ASP- HB3     3.20 >#     2    26990.0  e   apr8     394
         HA     32 GLY  HN      5.10  #     2     1679.0  e   apr8    1558
         HA     32 GLY  HA2     5.40  #     2     1078.0  e   apr8    1560
         HA     33 CYSN HN      4.30  #     3     4259.0  e   apr8     782
         HB2    32 GLY  HN      4.70  #     2     2539.0  e   apr8    1562
         HB2    32 GLY  HA1     6.10  #     2      555.0  e   apr8    1564
         HB2    33 CYSN HN      6.30  #     3      392.0  e   apr8    1571
         HB3    32 GLY  HN      4.60  #     2     3155.0  e   apr8    1561
         HB3    32 GLY  HA1     5.30  #     2     1254.0  e   apr8    1563
         HB3    33 CYSN HN      5.80  #     3      675.0  e   apr8    1570
 32 GLY  
         HN     32 GLY  HA1     2.90  #     2    53450.0  e   apr8    1554
         HN     32 GLY  HA2     3.10  #     2    35810.0  e   apr8    1555
         HN     33 CYSN HN      3.60  #     2    13960.0  e   apr8     898
         HN     37 GLN  HN      6.30  #   w 4      270.0  e   apr8    1603
         HA1    33 CYSN HN      3.60  #     2    12910.0  e   apr8     896
         HA2    33 CYSN HN      3.60  #     2    13970.0  e   apr8     895
 33 CYSN 
         HN     33 CYSN HA      3.40  #     2    18290.0  e   apr8     656
         HN     33 CYSN HB2     3.90  #     2     7632.0  e   apr8     657
         HN     33 CYSN HB3     4.00  #     2     7209.0  e   apr8     658
         HN     34 LYS+ HN      4.50  #     2     3218.0  e   apr8    1123
         HN     35 ALA  HN      4.70  #     3     2275.0  e   apr8    1116
         HN     36 GLY  HN      4.00  #     3     6581.0  e   apr8    1611
         HN     36 GLY  HA1     4.60  #     3     2774.0  e   apr8    1609
         HN     36 GLY  HA2     4.30  #     3     3942.0  e   apr8    1610
         HA     33 CYSN HB2     3.20 <#     2    27210.0  e   apr8    1075
         HA     33 CYSN HB3     3.70 >#     2    10460.0  e   apr8    1074
         HA     34 LYS+ HA      5.70  #     2      781.0  e   apr8    1607
         HA     35 ALA  HN      4.40  #     3     3434.0  e   apr8    1117
         HB2    35 ALA  HN      4.30  #     3     3977.0  e   apr8    1118
         HB2    37 GLN  HE21    4.90  #     5     8947.0  e   apr8    1612
         HB3    34 LYS+ HN      5.50  #     2      985.0  e   apr8    1608
         HB3    35 ALA  HN      4.60  #     3     2578.0  e   apr8    1119
         HB3    37 GLN  HE21    4.70  #     5    12730.0  e   apr8    1613
 34 LYS+ 
         HN     34 LYS+ HA      3.50  #     2    16710.0  e   apr8    1605
         HN     34 LYS+ HB2     6.30  #   w 2      313.0  e   apr8    1120
         HA     34 LYS+ HB2     3.10  #     2    31140.0  e   apr8    1580
         HA     34 LYS+ HB3     3.00  #     2    39220.0  e   apr8    1579
         HA     34 LYS+ HG2     3.80  #     1    11140.0  e   apr8     920
         HA     34 LYS+ HG3     3.50  #     1    18650.0  e   apr8    1577
         HA     34 LYS+ QD      4.90  # m   1    10290.0*2e   apr8    1584
         HA     34 LYS+ QE      5.90  # m   1     2592.0*2e   apr8    1576
         HA     35 ALA  HN      3.80  #     2     8895.0  e   apr8     740
         HA     35 ALA  HA      5.00  #     2     1879.0  e   apr8    1622
         HB2    34 LYS+ HG2     3.60  #     1    15380.0  e   apr8    1588
         HB2    34 LYS+ HG3     3.40  #     1    22270.0  e   apr8    1586
         HB2    34 LYS+ QE      6.20  # m   1     1767.0*2e   apr8    1594
         HB2    35 ALA  HN      3.70  #     2    10790.0  e   apr8     922
         HB3    34 LYS+ HG2     4.30  #     1     5660.0  e   apr8    1582
         HB3    34 LYS+ QE      6.40  # m   1     1350.5*2e   apr8    1593
         HB3    35 ALA  HN      3.70  #     2    12020.0  e   apr8    1624
         HG2    34 LYS+ QD      4.60  # m   1    15580.0*2e   apr8    1589
         HG2    34 LYS+ QE      4.80  # m   1    11630.0*2e   apr8    1597
         HG2    35 ALA  HN      6.20  #     5     2227.0  e   apr8    1626
         HG3    34 LYS+ QD      4.30  # m   1    25890.0*2e   apr8    1590
         HG3    34 LYS+ QE      4.90  # m   1     9965.0*2e   apr8    1596
         HG3    35 ALA  HN      6.10  #     5     2606.0  e   apr8    1620
         QD     34 LYS+ QE      6.00  # mm  1     8477.5*4e   apr8    1581
         QE     35 ALA  HA      7.30  # m w 5      526.5*2e   apr8    1628
 35 ALA  
         HN     35 ALA  HA      3.10  #     2    34190.0  e   apr8     189
         HN     35 ALA  QB      3.30  #   s 2M   68400.0  e   apr8     193
         HN     36 GLY  HN      3.50  #     2    15820.0  e   apr8     737
         HN     36 GLY  HA1     5.80  #     2      774.0  e   apr8    2069
         HN     36 GLY  HA2     5.20  #     2     1379.0  e   apr8    1056
         HN     37 GLN  HN      4.40  #     3     3823.0  e   apr8     739
         HN     37 GLN  HB3     6.30  #   w 3      224.0  e   apr8    1640
         HA     35 ALA  QB      3.30  #   s 2M  109300.0  e   apr8     192
         HA     36 GLY  HN      3.90  #     2     8290.0  e   apr8    1054
         HA     36 GLY  HA1     5.00  #     2     1757.0  e   apr8    1629
         HA     36 GLY  HA2     4.50  #     2     3348.0  e   apr8    1630
         HA     37 GLN  HN      5.60  #     3      855.0  e   apr8    1638
         QB     36 GLY  HN      4.50  #     2M    3402.0  e   apr8    1062
         QB     37 GLN  HB3     6.30  #     5M    4162.0  e   apr8    1635
         QB     37 GLN  HG2     5.90  #     5M    6097.0  e   apr8    1636
         QB     37 GLN  HE21    4.60 <#     5M   29210.0  e   apr8    2360
         QB     37 GLN  HE22    6.50 >#     5M    3467.0  e   apr8    2359
 36 GLY  
         HN     36 GLY  HA1     3.10  #     2    35680.0  e   apr8     296
         HN     36 GLY  HA2     2.90  #     2    52210.0  e   apr8     297
         HN     37 GLN  HN      3.00  #     2    38570.0  e ! apr8    1641
         HA1    37 GLN  HN      3.40  #     2    17970.0  e   apr8     930
         HA2    37 GLN  HN      3.60  #     2    13710.0  e   apr8     933
         HA2    37 GLN  HB3     5.30  #     2     1300.0  e   apr8    1644
 37 GLN  
         HN     37 GLN  HA      3.20  #     2    27210.0  e   apr8     576
         HN     37 GLN  HB2     4.00  #     2     7282.0  e   apr8     595
         HN     37 GLN  HB3     3.70  #     2    11090.0  e   apr8     577
         HN     38 ILE  HN      4.20  #     2     5604.0  e   apr8    1073
         HN     38 ILE  HA      4.60  #     2     2838.0  e   apr8    1654
         HN     38 ILE  QG2     7.00  #     5M    2242.0  e   apr8     913
         HN     38 ILE  QD1     6.40  #     5M    3740.0  e ! apr8     912
         HA     37 GLN  HB2     3.20  #     2    28200.0  e   apr8     594
         HA     37 GLN  HB3     3.10  #     2    31230.0  e   apr8     585
         HA     37 GLN  HG2     4.20  #     1     6135.0  e   apr8     581
         HA     37 GLN  HG3     3.70  #     1    14130.0  e   apr8    1963
         HA     37 GLN  HE22    5.70  #     1      975.0  e   apr8     736
         HA     38 ILE  HN      2.90  #     2    48500.0  e   apr8     914
         HA     38 ILE  QG2     5.50  #     5M    9167.0  e   apr8    1671
         HB2    37 GLN  HG2     4.20  #     1     6313.0  e   apr8     591
         HB2    37 GLN  HE22    4.20  #     1     6420.0  e   apr8    1453
         HB2    38 ILE  HN      3.50 <#     2    16990.0  e   apr8     916
         HB2    38 ILE  HA      5.80  #     2      720.0  e   apr8    1660
         HB2    38 ILE  QG2     7.30  #   w 5M    1221.0  e   apr8    1652
         HB3    37 GLN  HG2     3.50  #     1    19030.0  e   apr8     590
         HB3    38 ILE  HN      4.20 >#     2     5450.0  e ! apr8    1658
         HB3    38 ILE  HA      6.30  #   w 2         .0  e   apr8    1659
         HG2    37 GLN  HE21    3.40  #     1    21900.0  e   apr8     589
         HG2    37 GLN  HE22    4.00  #     1     8374.0  e   apr8     735
         HG2    38 ILE  HN      6.30  #   w 5      918.0  e   apr8    1666
         HG2    38 ILE  HA      6.30  #   w 5      858.0  e   apr8    1661
         HG3    37 GLN  HE21    3.60  #     1    16220.0  e   apr8    1967
         HG3    37 GLN  HE22    3.90  #     1     9341.0  e   apr8    1451
         HE21   39 ALA  QB      5.80  #     5M    6620.0  e   apr8    1670
         HE22   39 ALA  QB      5.10  #     5M   15380.0  e   apr8    1424
 38 ILE  
         HN     38 ILE  HA      6.30  #   w 2      125.0  e   apr8    1444
         HN     38 ILE  HB      4.10  #     2     5980.0  e   apr8     907
         HN     38 ILE  QG2     3.40  #     1M   32680.0  e   apr8    1448
         HN     38 ILE  HG13    6.30  #   w 1      265.0  e   apr8    1665
         HN     38 ILE  QD1     5.10  #     1M    2589.0  e   apr8     900
         HN     39 ALA  HN      4.60  #     2     2845.0  e   apr8    1656
         HA     38 ILE  QG2     4.80  #     1M    4190.0  e   apr8    1427
         HA     38 ILE  QD1     5.80  #     1M    1294.0  e   apr8    1428
         HB     38 ILE  QG2     3.50  #     1M   27500.0  e   apr8    1549
         HB     38 ILE  QD1     3.50  #     1M   26260.0  e   apr8    1546
         QG2    38 ILE  HG12    5.70 >#     1M    1438.0  e   apr8    1442
         QG2    38 ILE  HG13    4.30 <#     1M    8015.0  e   apr8    1443
         QG2    38 ILE  QD1     4.30  # m s 1M   61250.0  e   apr8     902
         QG2    40 SER  HN      7.30  #   w 5M     454.0  e   apr8    1676
         QG2    40 SER  HA      7.30  #   w 5M     270.0  e   apr8    1680
         QG2    40 SER  HB2     6.60  #     5M    3012.0  e   apr8    1678
         QG2    40 SER  HB3     6.40  #     5M    3744.0  e   apr8    1679
         HG12   38 ILE  QD1     4.10  #     1M   10670.0  e   apr8     904
         HG13   38 ILE  QD1     3.70  #     1M   19270.0  e   apr8     906
         QD1    39 ALA  HN      7.30  #   w 5M     257.0  e   apr8    1672
 39 ALA  
         HN     39 ALA  HA      5.00  #     2     1732.0  e   apr8     700
         HN     39 ALA  QB      3.60  #     2M   11600.0  e   apr8     704
         HA     39 ALA  QB      3.30  #   s 2M   36830.0  e   apr8     705
 40 SER  
         HN     40 SER  HA      3.20  #     2    25620.0  e   apr8     290
         HN     40 SER  HB2     3.80  #     2     8969.0  e   apr8    1377
         HN     40 SER  HB3     4.30  #     2     4436.0  e   apr8     291
         HN     41 SER  HN      4.80  #     2     2406.0  e   apr8    1124
         HA     40 SER  HB2     3.10  #     2    31750.0  e   apr8    1379
         HA     40 SER  HB3     3.10  #     2    31610.0  e   apr8    1378
         HA     41 SER  HN      2.80  #     2    68050.0  e   apr8    1127
         HB2    41 SER  HN      3.60  #     2    12520.0  e   apr8    1125
         HB3    41 SER  HN      3.50  #     2    16440.0  e   apr8    1681
 41 SER  
         HN     41 SER  HA      3.80  #     2     8918.0  e   apr8     160
         HN     41 SER  HB2     3.60  #     2    14020.0  e   apr8     169
         HN     41 SER  HB3     3.70  #     2    11260.0  e   apr8     162
         HN     42 PRO  QD      5.70  # m   5    11540.0*2e   apr8    1821
         HN     43 ARG+ HN      6.30  #   w 3      378.0  e   apr8    1688
         HA     41 SER  HB2     4.70  #     2     2486.0  e   apr8     168
         HA     41 SER  HB3     4.20  #     2     4984.0  e   apr8     166
         HA     42 PRO  HB2     5.70 <#     2      860.0  e   apr8    1684
         HA     42 PRO  HB3     6.30 >#   w 2      105.0  e   apr8    1683
         HA     42 PRO  QG      7.30  # m w 5     1447.0*2e   apr8    1685
         HA     42 PRO  QD      6.00  # m   5     8400.0*2e   apr8    1129
         HA     43 ARG+ HN      4.50  #     3     3213.0  e   apr8    1687
         HB2    42 PRO  QD      6.40 <# m   5     5375.0*2e   apr8    1825
         HB3    42 PRO  QD      7.30 ># m w 5     1259.5*2e   apr8    1823
 42 PRO  
         HA     42 PRO  HB2     2.90  #     2    49740.0  e   apr8     938
         HA     42 PRO  HB3     2.70  #     2    76320.0  e   apr8     937
         HA     42 PRO  QG      5.60  # i   1     2092.0*2e   apr8     939
         HA     42 PRO  QD      5.30  # m   1     5270.0*2e   apr8     936
         HA     43 ARG+ HN      3.80  #     2    10150.0  e   apr8     935
         HA     43 ARG+ HG3     6.30  #   w 5     1737.0  e   apr8    2235
         HA     44 THR  HN      5.00  #     3     1607.0  e   apr8     944
         HB2    42 PRO  QG      4.30  # m   1    25045.0*2e   apr8    1506
         HB2    42 PRO  QD      4.90  # m   1    10350.0*2e   apr8    1503
         HB2    43 ARG+ HN      4.50  #     2     3342.0  e   apr8     942
         HB2    43 ARG+ HB2     6.30  #   w 5      696.0  e   apr8    2226
         HB2    43 ARG+ HB3     5.60  #     5     4368.0  e   apr8    2225
         HB2    43 ARG+ HG2     4.30  #     5    20540.0  e   apr8    2230
         HB2    43 ARG+ HG3     6.10  #     5     2539.0  e   apr8    2227
         HB2    43 ARG+ HD2     6.10  #     5     2585.0  e   apr8    2231
         HB2    44 THR  HN      5.80 <#     3      682.0  e   apr8    1697
         HB3    42 PRO  QG      4.80  # m   1    10735.0*2e   apr8    1247
         HB3    42 PRO  QD      5.20  # m   1     6295.0*2e   apr8    1502
         HB3    43 ARG+ HN      5.00  #     2     1712.0  e   apr8    1690
         HB3    43 ARG+ HD2     6.30  #   w 5      744.0  e   apr8    2233
         HB3    44 THR  HN      6.30 >#   w 3      254.0  e ! apr8    1696
         QG     42 PRO  QD      6.20  # mm  1     6482.5*4e   apr8    1244
         QG     43 ARG+ HN      7.00  # m   5     2734.0*2e   apr8     943
         QG     43 ARG+ HB2     5.50 <# m   5    16760.0*2e   apr8    2238
         QG     43 ARG+ HB3     6.90 ># m   5     3077.5*2e   apr8    2237
         QG     43 ARG+ HG2     7.30  # m w 5     1324.5*2e   apr8    2236
         QG     43 ARG+ HG3     7.30  # m w 5     1938.5*2e   apr8    2229
         QD     43 ARG+ HN      6.20  # m   5     6380.0*2e   apr8     940
         QD     43 ARG+ HB3     7.30  # m w 5     1168.0*2e   apr8    2216
         QD     43 ARG+ HG2     7.30 ># m w 5     1182.5*2e   apr8    2234
         QD     43 ARG+ HG3     6.70 <# m   5     3707.0*2e   apr8    1893
 43 ARG+ 
         HN     43 ARG+ HA      3.40  #     2    19840.0  e   apr8     634
         HN     43 ARG+ HB2     4.00  #     2     7138.0  e   apr8     648
         HN     43 ARG+ HB3     3.80  #     2    10300.0  e   apr8     637
         HN     43 ARG+ HG2     4.20  #     1     6365.0  e   apr8     635
         HN     43 ARG+ HG3     4.00  #     1     7905.0  e   apr8     653
         HN     43 ARG+ HD3     6.30  #     1      535.0  e   apr8    1202
         HN     44 THR  HN      3.90  #     2     8656.0  e ! apr8     750
         HN     45 GLU- HN      5.20  #     3     1254.0  e   apr8    1704
         HA     43 ARG+ HB2     3.50  #     2    15560.0  e   apr8     647
         HA     43 ARG+ HB3     3.80  #     2     9251.0  e   apr8     652
         HA     43 ARG+ HG2     3.70  #     1    14320.0  e   apr8     645
         HA     43 ARG+ HG3     3.80  #     1    10960.0  e   apr8     654
         HA     43 ARG+ HD2     4.60  #     1     3759.0  e   apr8    1201
         HA     43 ARG+ HD3     4.60  #     1     3647.0  e   apr8    1199
         HA     44 THR  HN      3.30  #     2    22080.0  e   apr8     749
         HA     45 GLU- HN      4.00  #     3     6200.0  e   apr8     756
         HB2    43 ARG+ HG2     3.90  #     1     9357.0  e   apr8     644
         HB2    43 ARG+ HG3     3.50  #     1    18230.0  e   apr8    1207
         HB2    43 ARG+ HD2     4.10  #     1     7749.0  e   apr8    2221
         HB2    43 ARG+ HD3     4.40  #     1     4663.0  e   apr8    1209
         HB2    44 THR  HN      5.40  #     2     1176.0  e   apr8    1699
         HB2    45 GLU- HN      5.70  #     3      746.0  e   apr8    1702
         HB2    45 GLU- HB3     5.40  #     5     5201.0  e   apr8    2207
         HB3    43 ARG+ HG2     3.30  #     1    27590.0  e   apr8    1215
         HB3    43 ARG+ HG3     3.80  #     1    12140.0  e   apr8    1206
         HB3    43 ARG+ HD2     3.40  #     1    22700.0  e   apr8    2222
         HB3    43 ARG+ HD3     4.00  #     1     8925.0  e   apr8    1211
         HB3    44 THR  HN      5.40  #     2     1099.0  e   apr8    1698
         HB3    45 GLU- HN      6.30  #     3      425.0  e   apr8    2201
         HB3    45 GLU- HB3     4.30  #     5    21650.0  e   apr8    2206
         HB3    45 GLU- HG2     4.80  #     5    11110.0  e   apr8    2209
         HG2    43 ARG+ HD2     3.90  #     1     9518.0  e   apr8     946
         HG2    43 ARG+ HD3     4.10  #     1     7791.0  e   apr8     945
         HG2    44 THR  HN      5.20 <#     5     6691.0  e   apr8    1701
         HG3    43 ARG+ HD2     4.40  #     1     4994.0  e   apr8     950
         HG3    43 ARG+ HD3     3.80  #     1    11980.0  e   apr8    1210
         HG3    44 THR  HN      6.30 >#     5     2061.0  e   apr8     761
         HG3    45 GLU- HN      6.30  #     5     1991.0  e   apr8    2202
         HG3    45 GLU- HB3     6.10  #     5     2608.0  e   apr8    2208
         HG3    45 GLU- HG2     6.30  #   w 5     1470.0  e   apr8    2210
         HD3    45 GLU- HB2     6.30  #   w 5      284.0  e   apr8    2213
         HD3    45 GLU- HB3     5.50  #     5     4450.0  e   apr8    2214
 44 THR  
         HN     44 THR  HA      3.40  #     2    19640.0  e   apr8     549
         HN     44 THR  HB      3.50  #     2    16810.0  e   apr8     548
         HN     44 THR  QG2     4.70  #     1M    4365.0  e   apr8     550
         HN     45 GLU- HN      3.30  #     2    24190.0  e   apr8     751
         HN     45 GLU- HA      5.50  #     2      995.0  e   apr8    1709
         HN     46 ASP- HN      5.00  #     3     1708.0  e   apr8    1711
         HA     44 THR  HB      3.80  #     2     9399.0  e   apr8     555
         HA     44 THR  QG2     3.50  #     1M   28270.0  e   apr8     557
         HA     45 GLU- HN      4.30  #     2     4391.0  e   apr8     753
         HA     46 ASP- HN      4.10  #     3     5233.0  e   apr8    1197
         HB     44 THR  QG2     3.30  #   s 1M   35530.0  e   apr8     558
         HB     45 GLU- HN      4.20  #     2     5194.0  e   apr8     754
         QG2    45 GLU- HN      5.90  #     5M    6118.0  e   apr8    1708
         QG2    45 GLU- HB3     7.30  #   w 5M     488.0  e   apr8    2198
         QG2    46 ASP- HN      6.50  #     5M    3437.0  e   apr8    1196
         QG2    46 ASP- HB2     7.30  #   w 5M     681.0  e   apr8    2199
         QG2    46 ASP- HB3     7.30  #   w 5M     793.0  e   apr8    2200
 45 GLU- 
         HN     45 GLU- HA      3.00  #     2    43270.0  e   apr8       2
         HN     45 GLU- HB2     3.50  #     2    16940.0  e   apr8    1176
         HN     45 GLU- HB3     3.20  #     2    29570.0  e   apr8      23
         HN     45 GLU- HG2     3.60  #     1    16880.0  e   apr8    1174
         HN     45 GLU- HG3     3.50  #     1    18600.0  e   apr8    1175
         HN     46 ASP- HN      3.20  #     2    26910.0  e   apr8     752
         HN     46 ASP- HA      5.80  #     2      765.0  e   apr8     757
         HN     46 ASP- HB2     6.00  #     2      604.0  e   apr8    1191
         HN     46 ASP- HB3     6.30  #   w 2      296.0  e   apr8    1190
         HA     45 GLU- HB2     2.90  #     2    48670.0  e   apr8      19
         HA     45 GLU- HB3     3.30  #     2    23700.0  e   apr8       9
         HA     45 GLU- HG2     3.80  #     1    11240.0  e   apr8      11
         HA     45 GLU- HG3     3.60  #     1    15460.0  e ! apr8      15
         HA     46 ASP- HN      4.20  #     2     4868.0  e   apr8    1172
         HA     46 ASP- HA      6.00  #     2      582.0  e   apr8    1181
         HB2    45 GLU- HG2     3.10  #     1    37410.0  e   apr8      13
         HB2    45 GLU- HG3     3.10  #     1    39240.0  e   apr8      17
         HB2    46 ASP- HN      4.50  #     2     3400.0  e   apr8    1178
         HB3    45 GLU- HG2     2.70  #     1    86750.0  e   apr8      14
         HB3    45 GLU- HG3     3.00  #     1    51880.0  e   apr8      18
         HB3    46 ASP- HN      4.30  #     2     4795.0  e   apr8    1177
         HG2    46 ASP- HN      5.50 >#     5     4921.0  e   apr8    1180
         HG2    46 ASP- HA      6.30  #   w 5     1098.0  e   apr8    1193
         HG3    46 ASP- HN      4.50 <#     5    16650.0  e   apr8    1179
         HG3    46 ASP- HA      6.20  #     5     2300.0  e   apr8    1194
 46 ASP- 
         HN     46 ASP- HA      3.40  #     2    20250.0  e   apr8     427
         HN     46 ASP- HB2     3.40  #     2    17770.0  e   apr8     429
         HN     46 ASP- HB3     3.60  #     2    13870.0  e   apr8    1189
         HA     46 ASP- HB2     3.60  #     2    14190.0  e   apr8    1187
         HA     46 ASP- HB3     3.40  #     2    18830.0  e   apr8    1186
 54 GLU- 
         HN     54 GLU- QG      6.90  # m   1      811.5*2e   apr8    2116
         HN     68 LEU  QD2     7.30  #   w 5M    1160.0  e   apr8    2115
         HA     54 GLU- HB2     4.60 >#     2     2845.0  e   apr8    2031
         HA     54 GLU- HB3     4.00 <#     2     7304.0  e   apr8    2030
         HA     54 GLU- QG      6.30  # i   1     1013.5*2e   apr8    2032
         HB2    54 GLU- QG      6.00 <# m   1     2219.5*2e   apr8    2038
         HB3    54 GLU- QG      7.30 ># m w 1      297.0*2e   apr8    2033
         HB3    55 THR  HN      4.80  #     2     2326.0  e   apr8    2087
 55 THR  
         HN     55 THR  HA      3.40  #     2    19530.0  e   apr8     530
         HN     55 THR  HB      3.70  #     2    12040.0  e   apr8     524
         HN     55 THR  QG2     4.00  #     1M   11070.0  e   apr8     526
         HN     56 ALA  HN      3.20  #     2    25390.0  e   apr8     959
         HN     56 ALA  QB      5.90  #     2M     642.0  e   apr8    1984
         HA     55 THR  HB      3.30  #     2    24760.0  e   apr8     531
         HA     55 THR  QG2     3.60  #     1M   22290.0  e ! apr8     532
         HA     56 ALA  HN      4.50  #     2     3478.0  e   apr8     961
         HB     55 THR  QG2     3.30  #   s 1M  110100.0  e   apr8     534
         HB     56 ALA  HN      4.70  #     2     2746.0  e   apr8     960
 56 ALA  
         HN     56 ALA  HA      3.60  #     2    12480.0  e   apr8     628
         HN     56 ALA  QB      3.50  #     2M   16080.0  e   apr8     629
         HA     56 ALA  QB      3.30  #   s 2M   41170.0  e   apr8     633
 59 THR  
         HN     59 THR  HA      4.90  #     2     2084.0  e   apr8    2093
         HN     59 THR  HB      5.90  #     2      638.0  e   apr8    2094
         HN     59 THR  QG2     5.70  #     1M    1448.0  e   apr8    2099
         HN     60 ASP- HN      4.90  #     2     2115.0  e   apr8    2091
         HN     61 PHE  HN      4.40  #     3     3419.0  e   apr8    2102
         HA     59 THR  HB      5.00  #     2     1792.0  e   apr8    2098
         HA     60 ASP- HN      3.60  #     2    13560.0  e   apr8    2090
         HA     61 PHE  HN      4.00  #     3     6699.0  e   apr8    2101
         HB     60 ASP- HN      3.50  #     2    16000.0  e   apr8    2089
         HB     60 ASP- HA      4.70  #     2     2730.0  e   apr8    2096
         HB     61 PHE  HN      5.10  #     3     1453.0  e   apr8    2100
         QG2    60 ASP- HN      7.30  #   w 5M    1367.0  e   apr8    2092
 60 ASP- 
         HN     60 ASP- HA      3.00  #     2    37240.0  e   apr8     194
         HN     60 ASP- HB2     3.20 <#     2    26980.0  e   apr8     195
         HN     60 ASP- HB3     3.90 >#     2     8148.0  e   apr8     196
         HN     61 PHE  HN      3.30  #     2    21510.0  e   apr8     802
         HN     61 PHE  QD      8.30  # r w 5     1503.5*2e   apr8    1136
         HN     62 LEU  HN      6.30  #   w 3      356.0  e   apr8    2103
         HA     60 ASP- HB2     2.90  #     2    50080.0  e   apr8     200
         HA     60 ASP- HB3     2.90  #     2    49390.0  e   apr8     201
         HA     61 PHE  HN      3.60  #     2    12720.0  e   apr8     803
         HA     61 PHE  HA      5.10  #     2     1665.0  e   apr8    1137
         HA     61 PHE  HB2     5.70  #     2      792.0  e   apr8    1140
         HA     61 PHE  QD      8.30  # r w 5      563.5*2e   apr8    1139
         HB2    61 PHE  HN      3.50  #     2    14750.0  e   apr8    1069
         HB2    61 PHE  QD      7.70  # r   5     3807.5*2e   apr8    1023
         HB3    61 PHE  HN      3.40  #     2    17590.0  e   apr8     805
         HB3    61 PHE  QD      8.30  # r w 5     1533.0*2e   apr8    1144
 61 PHE  
         HN     61 PHE  HA      3.20  #     2    27340.0  e   apr8     474
         HN     61 PHE  HB2     3.00 <#     2    42920.0  e   apr8     476
         HN     61 PHE  HB3     3.60 >#     2    14180.0  e   apr8     480
         HN     61 PHE  QD      6.10  # r   1     7390.0*2e   apr8    1030
         HN     61 PHE  QE      7.30  # m w 1      403.0*2e   apr8    1028
         HN     62 LEU  HN      4.00  #     2     7255.0  e   apr8    2104
         HN     62 LEU  HA      6.30  #   w 2      272.0  e   apr8    2107
         HA     61 PHE  HB2     3.00  #     2    43980.0  e   apr8     484
         HA     61 PHE  HB3     3.00  #     2    38800.0  e   apr8     481
         HA     61 PHE  QD      4.30  # m   1    29365.0*2e   apr8     796
         HB2    61 PHE  QD      5.20  # r   1    30050.0*2e   apr8     798
         HB2    61 PHE  QE      6.90  # r   1     2512.5*2e   apr8     801
         HB2    62 LEU  HN      4.00  #     2     6614.0  e   apr8     924
         HB3    61 PHE  QD      5.20  # r   1    31985.0*2e   apr8     797
         HB3    61 PHE  QE      6.60  # r   1     3774.0*2e   apr8     800
         HB3    62 LEU  HN      3.70  #     2    10550.0  e   apr8    1017
         QD     61 PHE  QE      7.80  # rr  1    11905.0*4e   apr8     799
         QD     62 LEU  HN      7.70  # r   5     3762.5*2e   apr8    2106
         QD     62 LEU  QB      9.30  # rmw 5      270.0*4e   apr8    1024
         QE     62 LEU  HN      8.30  # r w 5      563.0*2e   apr8    2108
 62 LEU  
         HN     62 LEU  HA      3.90  #     2     8787.0  e   apr8     230
         HN     62 LEU  QB      4.10  # i   2    15250.0*2e   apr8    1036
         HN     62 LEU  HG      4.00  #     1     8164.0  e   apr8    1049
         HN     62 LEU  QQD     7.10  # q   1M    4374.5*2e   apr8    1047
         HN     63 SER  HN      5.90  #     2      670.0  e   apr8    2309
         HA     62 LEU  QB      4.80  # m   2     9605.0*2e   apr8     233
         HA     62 LEU  HG      5.80  #     1      890.0  e   apr8    1039
         HA     62 LEU  QQD     5.80  # s   1M    9595.0*2e   apr8    1043
         QB     62 LEU  QQD     6.40  # m   1M   12410.0*4e   apr8    1046
         QB     63 SER  HN      5.90  # m   2     2073.0*2e   apr8    2310
         HG     62 LEU  QQD     5.30  #     1M   14540.0*2e   apr8    1044
         QQD    63 SER  HN      8.70  #   w 5M     453.5*2e   apr8    2311
         QQD    67 TYR  HN      8.70  #   w 5M     332.0*2e   apr8    2304
         QQD    67 TYR  QD     10.70  # r w 5M    1450.2*4e   apr8    2300
 64 ILE  
         HA     65 ARG+ HN      3.60  #     2    13350.0  e   apr8    2336
 65 ARG+ 
         HN     65 ARG+ HB2     3.80  #     2     9744.0  e   apr8     139
         HN     65 ARG+ HB3     4.20  #     2     5074.0  e   apr8     133
         HN     65 ARG+ HG2     4.40  #     1     4858.0  e   apr8    1148
         HN     65 ARG+ HG3     4.40  #     1     4726.0  e   apr8    2023
         HN     65 ARG+ QD      7.00  # m   1      740.5*2e   apr8    1147
         HN     66 VAL  HN      6.30  #   w 2      250.0  e   apr8    1959
         HN     67 TYR  QD      8.30  # r w 5      509.5*2e   apr8    2193
         HN     67 TYR  QE      8.30  # r w 5     1037.0*2e   apr8    1850
         HA     65 ARG+ HB2     5.20 >#     2     1478.0  e   apr8     140
         HA     65 ARG+ HB3     4.10 <#     2     6457.0  e   apr8     141
         HA     65 ARG+ HG2     3.60  #     1    16860.0  e   apr8     147
         HA     66 VAL  HN      4.10  #     2     6318.0  e   apr8    1958
         HB2    65 ARG+ HG2     3.30  #     1    27230.0  e   apr8     146
         HB2    67 TYR  QD      8.00  # r   5     2786.5*2e   apr8    2195
         HB2    67 TYR  QE      7.10  # r   5     7645.0*2e   apr8    2196
         HB3    65 ARG+ HG2     3.30  #     1    26700.0  e   apr8     143
         HB3    65 ARG+ QD      5.00  # m   1     9075.0*2e   apr8    1796
         HB3    66 VAL  HN      4.10  #     2     5934.0  e   apr8    1956
         HB3    67 TYR  QD      8.10  # r   5     2508.5*2e   apr8    1844
         HB3    67 TYR  QE      7.30  # r   5     5735.0*2e   apr8    1847
         HG2    65 ARG+ QD      4.80  # m   1    12370.0*2e   apr8    1797
         HG2    66 VAL  HN      6.30  #   w 5     1141.0  e   apr8    1957
         HG2    67 TYR  QD      8.30  # r w 5      372.5*2e   apr8    1845
         HG2    67 TYR  QE      8.30  # r w 5     1209.5*2e   apr8    1848
         HG3    65 ARG+ QD      4.30  # m   1    25240.0*2e   apr8    1794
         QD     66 VAL  HN      7.30  # m w 5      822.0*2e   apr8    1955
         QD     67 TYR  QD      9.30  # mrw 5     1915.0*4e   apr8    2194
         QD     67 TYR  QE      9.30  # mrw 5     1121.8*4e   apr8    1846
 66 VAL  
         HN     66 VAL  HA      6.10  #     2      560.0  e   apr8     716
         HN     66 VAL  HB      4.50  #     2     3353.0  e   apr8     717
         HN     66 VAL  QG1     5.50  #     1M    1760.0  e   apr8     719
         HN     66 VAL  QG2     5.60  #     1M    1589.0  e   apr8     718
         HA     66 VAL  HB      5.80  #     2      776.0  e   apr8    2040
         HA     66 VAL  QG1     7.30 >#   w 1M     101.0  e   apr8    2058
         HA     66 VAL  QG2     7.20 <#     1M     325.0  e   apr8    2057
         HA     67 TYR  HN      5.70  #     2      796.0  e   apr8    1950
         HB     66 VAL  QG1     4.30  #     1M    7621.0  e   apr8    1949
         HB     66 VAL  QG2     4.60  #     1M    4984.0  e   apr8    1948
         HB     67 TYR  HN      4.80  #     2     2340.0  e   apr8    1947
         QG1    67 TYR  HN      7.30 <#   w 5M     868.0  e   apr8    1953
         QG2    67 TYR  HN      7.30 >#   w 5M     325.0  e   apr8    1952
 67 TYR  
         HN     67 TYR  HA      3.70  #     2    10430.0  e   apr8      75
         HN     67 TYR  HB2     3.60  #     2    12750.0  e   apr8      73
         HN     67 TYR  HB3     3.90  #     2     8689.0  e   apr8      72
         HN     67 TYR  QD      5.60  # r   1    16710.0*2e   apr8    1154
         HN     68 LEU  HN      4.40  #     2     3997.0  e   apr8    1014
         HN     68 LEU  HA      5.50  #     2     1010.0  e   apr8    2111
         HA     67 TYR  HB2     3.40  #     2    17650.0  e   apr8    1739
         HA     67 TYR  HB3     3.00  #     2    37610.0  e   apr8    1740
         HA     67 TYR  QD      4.70  # m   1    13320.0*2e   apr8     806
         HA     67 TYR  QE      6.60  # i   1      746.5*2e   apr8    1158
         HA     68 LEU  HN      3.80  #     2     9760.0  e   apr8     787
         HA     68 LEU  QD2     7.30  #   w 5M     718.0  e   apr8    1741
         HB2    67 TYR  QD      5.10  # r   1    43145.0*2e   apr8     808
         HB2    67 TYR  QE      6.70  # r   1     3375.5*2e   apr8    1162
         HB2    68 LEU  HN      4.20 >#     2     5040.0  e   apr8     785
         HB2    70 ALA  QB      7.00  #     5M    2229.0  e   apr8    2192
         HB3    67 TYR  QD      5.20  # r   1    33750.0*2e   apr8     807
         HB3    67 TYR  QE      6.80  # r   1     2678.0*2e   apr8    1161
         HB3    68 LEU  HN      3.50 <#     2    14830.0  e   apr8     786
         HB3    70 ALA  HN      6.30  #   w 3      143.0  e   apr8    2189
         HB3    70 ALA  QB      7.30  #   w 5M    1084.0  e   apr8    2191
         QD     67 TYR  QE      6.80  # rr  1    70650.0*4e   apr8     809
         QD     68 LEU  HN      7.20  # r   5     6940.0*2e   apr8    2109
         QD     70 ALA  QB      9.30  # r w 5M     470.5*2e   apr8    2190
         QE     68 LEU  HN      8.30  # r w 5      287.0*2e   apr8    2110
 68 LEU  
         HN     68 LEU  HA      3.70  #     2    11960.0  e   apr8     171
         HN     68 LEU  QB      3.90  # i   2    23365.0*2e   apr8     180
         HN     68 LEU  HG      4.30  #     1     5658.0  e   apr8    1010
         HN     68 LEU  QD1     4.80  #     1M    4154.0  e   apr8    1733
         HN     68 LEU  QD2     5.00  #     1M    3202.0  e   apr8    1734
         HA     68 LEU  QB      4.90  # m   2     8055.0*2e   apr8     179
         HA     68 LEU  HG      4.60  #     1     3852.0  e   apr8    1008
         HA     68 LEU  QD1     4.50 >#     1M    6020.0  e   apr8     183
         HA     68 LEU  QD2     3.60 <#     1M   23410.0  e   apr8     186
         HA     70 ALA  HN      4.90  #     3     1769.0  e   apr8    1810
         QB     68 LEU  QD1     4.70  # m   1M   18580.0*2e   apr8     184
         QB     68 LEU  QD2     4.70  # m   1M   17635.0*2e   apr8     187
         QB     70 ALA  HN      6.80  # m   3      674.0*2e   apr8    1808
         QB     71 GLU- HN      7.30  # m w 3      243.0*2e   apr8    2184
         HG     68 LEU  QD1     3.30  #   s 1M   51830.0  e   apr8    1012
         HG     68 LEU  QD2     3.30  #   s 1M   39540.0  e   apr8    1013
 69 GLY  
         HA1    70 ALA  HN      3.30 <#     2    23670.0  e   apr8     852
         HA1    70 ALA  QB      5.50  #     2M     908.0  e   apr8    1373
         HA1    71 GLU- HN      6.20  #     3      431.0  e   apr8    2183
         HA2    70 ALA  HN      3.80 >#     2     9259.0  e   apr8     851
         HA2    70 ALA  QB      5.90  #     2M     635.0  e   apr8    1372
 70 ALA  
         HN     70 ALA  HA      3.20  #     2    26540.0  e   apr8     250
         HN     70 ALA  QB      3.40  #     2M   17560.0  e   apr8     253
         HN     71 GLU- HN      4.10  #     2     6373.0  e   apr8    1005
         HN     71 GLU- HB2     5.40  #     2     1098.0  e   apr8    1813
         HN     71 GLU- HB3     5.00  #     2     1777.0  e   apr8    1254
         HN     72 THR  QG2     7.30  #   w 5M     716.0  e   apr8    1368
         HA     70 ALA  QB      3.30  #   s 2M   74600.0  e   apr8     255
         HA     71 GLU- HN      3.60  #     2    14160.0  e ! apr8     844
         QB     71 GLU- HN      3.60  #     2M   12960.0  e   apr8    1253
         QB     71 GLU- HA      5.60  #     2M     815.0  e   apr8    2181
         QB     71 GLU- HB2     7.30  #   w 5M    1316.0  e   apr8    1256
         QB     71 GLU- HB3     6.70  #     5M    2709.0  e   apr8    1257
 71 GLU- 
         HN     71 GLU- HA      3.80  #     2     9487.0  e   apr8     214
         HN     71 GLU- HB2     3.50  #     2    15800.0  e   apr8    1251
         HN     71 GLU- HB3     3.60  #     2    12910.0  e   apr8    1252
         HN     71 GLU- QG      5.20  # m   1     6560.0*2e   apr8    1249
         HN     72 THR  HN      4.50  #     2     3257.0  e   apr8     846
         HN     72 THR  QG2     7.30  #   w 5M     104.0  e   apr8    2180
         HN     74 ARG+ QD      7.30  # m w 5      208.5*2e   apr8    2170
         HA     71 GLU- HB2     3.40 <#     2    19750.0  e   apr8     222
         HA     71 GLU- HB3     4.20 >#     2     5523.0  e   apr8     221
         HA     71 GLU- QG      4.30  # i   1    13815.0*2e   apr8     223
         HA     72 THR  HN      3.60  #     2    12860.0  e   apr8    1258
         HB2    71 GLU- QG      4.60  # m   1    16625.0*2e   apr8     226
         HB2    72 THR  HN      3.80  #     2     9990.0  e   apr8    1259
         HB2    72 THR  QG2     6.80 <#     5M    2498.0  e   apr8    2177
         HB2    73 THR  HN      4.60  #     3     2781.0  e   apr8    2175
         HB3    71 GLU- QG      4.80  # m   1    11200.0*2e   apr8     224
         HB3    72 THR  HN      4.30  #     2     4582.0  e   apr8    1260
         HB3    72 THR  QG2     7.30 >#   w 5M     641.0  e   apr8    2178
         QG     72 THR  HN      6.90  # m   5     3095.0*2e   apr8    2179
         QG     72 THR  QG2     8.30  # m w 5M     258.0*2e   apr8    2176
 72 THR  
         HN     72 THR  HA      3.20  #     2    24840.0  e   apr8     267
         HN     72 THR  HB      4.30  #     2     4511.0  e   apr8     268
         HN     72 THR  QG2     4.20  #     1M    8466.0  e   apr8     277
         HN     75 SER  HN      5.20  #     3     1326.0  e   apr8    2164
         HN     75 SER  QB      6.00  # m   3     1658.0*2e   apr8    2163
         HA     72 THR  HB      4.80  #     2     2217.0  e   apr8     273
         HA     72 THR  QG2     4.00  #     1M   12370.0  e   apr8     272
         HA     73 THR  HN      3.30  #     2    24340.0  e   apr8    1263
         HA     74 ARG+ HN      4.40  #     3     3689.0  e   apr8    2168
         HA     76 MET  HN      4.80  #     3     2132.0  e   apr8    2154
         HB     72 THR  QG2     3.30  #   s 1M   62130.0  e   apr8     275
         HB     73 THR  HN      4.80  #     2     2258.0  e   apr8    2172
         QG2    73 THR  HN      5.30  #     5M   11790.0  e   apr8    1264
         QG2    75 SER  HN      7.30  #   w 5M    1401.0  e   apr8    2161
         QG2    76 MET  HN      6.20  #     5M    4498.0  e   apr8    2151
 73 THR  
         HN     73 THR  HA      3.50  #     2    16360.0  e   apr8     284
         HN     73 THR  HB      3.70  #     2    10780.0  e   apr8     279
         HN     73 THR  QG2     4.40  #     1M    6322.0  e   apr8     278
         HN     74 ARG+ HN      3.50  #     2    17230.0  e   apr8    1267
         HN     75 SER  QB      7.30  # m w 3      315.0*2e   apr8    2159
         HA     73 THR  HB      4.90  #     2     2067.0  e   apr8     282
         HA     73 THR  QG2     3.90  #     1M   13600.0  e   apr8     283
         HA     74 ARG+ HN      3.60  #     2    13550.0  e   apr8    1003
         HB     73 THR  QG2     3.40  #     1M   34230.0  e   apr8     286
         HB     74 ARG+ HN      4.30  #     2     4538.0  e   apr8    1004
         HB     74 ARG+ QD      7.30  # m w 5      604.0*2e   apr8    2169
         HB     76 MET  HN      5.60  #     3      802.0  e   apr8    2152
         QG2    74 ARG+ HN      6.00  #     5M    5699.0  e   apr8    1266
         QG2    74 ARG+ HB2     6.60 >#     5M    3166.0  e   apr8    2166
         QG2    74 ARG+ HB3     5.50 <#     5M    9635.0  e   apr8    2165
         QG2    74 ARG+ QG      7.70  # m   5M    2750.0*2e   apr8    2167
         QG2    75 SER  QB      8.30  # m w 5M     733.5*2e   apr8    2160
 74 ARG+ 
         HN     74 ARG+ HA      3.60  #     2    13740.0  e   apr8     241
         HN     74 ARG+ HB2     4.20  #     2     5127.0  e   apr8     721
         HN     74 ARG+ HB3     4.10  #     2     5973.0  e   apr8    1271
         HN     74 ARG+ QG      5.10  # m   1     6860.0*2e   apr8    1273
         HN     74 ARG+ QD      6.30  # m   1     1588.0*2e   apr8    1272
         HN     75 SER  HN      4.00  #     2     6788.0  e   apr8    2158
         HA     74 ARG+ HB2     3.70 >#     2    11120.0  e   apr8    1269
         HA     74 ARG+ HB3     3.10 <#     2    32400.0  e   apr8    1268
         HA     74 ARG+ QG      4.30  # i   1    12880.0*2e   apr8     248
         HA     74 ARG+ QD      6.30  # m   1     1594.5*2e   apr8     244
         HA     75 SER  HN      3.50  #     2    14550.0  e   apr8    1358
         HA     75 SER  QB      5.90  # m   2     1932.5*2e   apr8    1362
         HA     76 MET  HN      4.60  #     3     2838.0  e   apr8    2150
         HB2    74 ARG+ QG      4.80  # m   1    11055.0*2e   apr8    1365
         HB2    74 ARG+ QD      5.20  # m   1     5985.0*2e   apr8    1274
         HB2    75 SER  HN      5.30 >#     2     1276.0  e   apr8    1357
         HB2    75 SER  QB      7.30  # m w 5      563.0*2e   apr8    2156
         HB3    74 ARG+ QG      4.90  # m   1     9455.0*2e   apr8    1363
         HB3    74 ARG+ QD      5.60  # m   1     3874.0*2e   apr8    1275
         HB3    75 SER  HN      4.20 <#     2     4928.0  e   apr8    1360
         HB3    76 MET  HN      5.50  #     3      940.0  e   apr8     998
         QG     74 ARG+ QD      5.90  # mm  1     9897.5*4e   apr8     247
         QG     75 SER  QB      8.30  # mmw 5      945.5*4e   apr8    2157
         QD     75 SER  HN      7.30  # m w 5     1241.0*2e   apr8    1355
         QD     75 SER  QB      8.30  # mmw 5     1077.5*4e   apr8    2155
         QD     76 MET  HN      7.30  # m w 5      747.5*2e   apr8     997
 75 SER  
         HN     75 SER  HA      3.70  #     2    10950.0  e   apr8     728
         HN     75 SER  QB      4.50  # i   2     8795.0*2e   apr8     729
         HA     75 SER  QB      5.10  # m   2     6440.0*2e   apr8    1284
         HA     76 MET  HN      3.30  #     2    21870.0  e   apr8     993
         HA     76 MET  HG2     6.30  #   w 5      872.0  e   apr8    2146
         HA     77 GLY  HN      5.20  #     3     1353.0  e   apr8    2142
         HA     78 LEU  HN      5.60  #     3      839.0  e   apr8    1353
         QB     76 MET  HN      5.20  # m   2     5490.0*2e   apr8     994
         QB     76 MET  HA      6.10  # m   2     1592.0*2e   apr8    2148
         QB     76 MET  HB3     7.20  # m   5     2289.5*2e   apr8    2149
         QB     77 GLY  HN      6.10  # m   3     1403.0*2e   apr8    2144
         QB     80 TYR  QE      9.30  # mrw 5      377.8*4e   apr8    1354
 76 MET  
         HN     76 MET  HA      3.50  #     2    15190.0  e   apr8     977
         HN     76 MET  HB2     4.90 >#     2     2100.0  e   apr8     726
         HN     76 MET  HB3     3.80 <#     2     9092.0  e   apr8     727
         HN     76 MET  HG2     4.90  #     1     2623.0  e   apr8    1290
         HN     76 MET  HG3     4.50  #     1     4060.0  e   apr8    1289
         HN     77 GLY  HN      4.50  #     2     3376.0  e   apr8    1347
         HN     77 GLY  QA      7.00  # m   2      589.5*2e   apr8    2139
         HN     79 ALA  HN      5.70  #     3      744.0  e   apr8    1350
         HN     80 TYR  HN      6.30  #     3      424.0  e   apr8    1352
         HN     80 TYR  QD      8.30  # r w 5      298.0*2e   apr8    1351
         HA     76 MET  HB2     3.00 <#     2    40420.0  e   apr8     987
         HA     76 MET  HB3     3.80 >#     2    10020.0  e   apr8     988
         HA     76 MET  HG2     3.50 <#     1    18250.0  e   apr8     986
         HA     76 MET  HG3     4.10 >#     1     6837.0  e   apr8     985
         HA     77 GLY  HN      3.60  #     2    12300.0  e   apr8     879
         HA     77 GLY  QA      6.90  # m   2      648.0*2e   apr8    2141
         HA     78 LEU  HN      5.40  #     3     1071.0  e   apr8    2138
         HB2    76 MET  HG2     3.60  #     1    15540.0  e   apr8    1296
         HB2    76 MET  HG3     3.50  #     1    17890.0  e   apr8    1295
         HB2    77 GLY  HN      5.20 >#     2     1503.0  e   apr8     991
         HB3    76 MET  HG2     3.80  #     1    11410.0  e   apr8    1294
         HB3    76 MET  HG3     3.60  #     1    16500.0  e   apr8    1293
         HB3    77 GLY  HN      3.90 <#     2     8230.0  e   apr8     992
         HB3    77 GLY  QA      6.70  # m   2      824.0*2e   apr8    2140
         HB3    78 LEU  HN      5.00  #     3     1742.0  e   apr8    2136
         HG2    77 GLY  HN      6.30 >#   w 5      125.0  e   apr8     990
         HG3    77 GLY  HN      6.30 <#   w 5     1450.0  e   apr8     989
 77 GLY  
         HN     77 GLY  QA      3.30  #     2    20970.0*2e   apr8     234
         HN     78 LEU  HN      3.90  #     2     8378.0  e   apr8     976
         HN     78 LEU  HA      5.20  #     2     1393.0  e   apr8    2130
         HN     78 LEU  QB      5.80  # m   2     2339.5*2e   apr8    2131
         HN     78 LEU  QD1     5.80  #     5M    6568.0  e   apr8    2124
         HN     80 TYR  QD      8.30  # r w 5      760.0*2e   apr8    1340
         HN     80 TYR  QE      8.30  # r w 5      209.5*2e   apr8    1341
         QA     78 LEU  HN      4.40  # m   2    18370.0*2e   apr8     828
         QA     78 LEU  HA      7.20  # m   2      515.5*2e   apr8    1338
         QA     78 LEU  QB      8.30  # mmw 2      232.8*4e   apr8    1336
         QA     78 LEU  QD1     8.30 ># m w 5M     488.5*2e   apr8    2127
         QA     78 LEU  QD2     8.10 <# m   5M    2035.5*2e   apr8    1335
         QA     79 ALA  HN      5.40  # m   3     3565.0*2e   apr8    1345
         QA     80 TYR  HN      6.10  # m   3     1468.5*2e   apr8    1344
 78 LEU  
         HN     78 LEU  HA      3.50  #     2    15360.0  e   apr8     343
         HN     78 LEU  QB      4.20  # i   2    13265.0*2e   apr8     344
         HN     78 LEU  HG      4.70  #     1     3024.0  e   apr8     345
         HN     78 LEU  QD1     4.70  #     1M    4419.0  e   apr8    1304
         HN     78 LEU  QD2     5.10  #     1M    2641.0  e   apr8    1305
         HN     79 ALA  HN      4.10  #     2     6221.0  e   apr8     975
         HN     79 ALA  QB      5.30  #     2M    1202.0  e   apr8     973
         HN     80 TYR  HN      5.40  #     3     1018.0  e   apr8    1329
         HN     80 TYR  QD      8.30  # r w 5      312.5*2e   apr8    1330
         HA     78 LEU  QB      4.50  # m   2    16090.0*2e   apr8     353
         HA     78 LEU  HG      3.90  #     1    10370.0  e   apr8     357
         HA     78 LEU  QD1     4.40 >#     1M    6594.0  e   apr8     350
         HA     78 LEU  QD2     3.40 <#     1M   30380.0  e   apr8     364
         HA     79 ALA  HN      3.70  #     2    11380.0  e   apr8     826
         QB     78 LEU  HG      3.60  # m   1   116700.0*2e   apr8     358
         QB     78 LEU  QD1     4.60  # m   1M   24455.0*2e   apr8     362
         QB     78 LEU  QD2     4.50  # m   1M   25985.0*2e   apr8     365
         QB     79 ALA  HN      5.20  # m   2     5500.0*2e   apr8    1324
         QB     80 TYR  HN      6.20  # m   3     1375.0*2e   apr8    1331
         QB     80 TYR  QE      9.30  # mrw 5     1263.5*4e   apr8     967
         HG     78 LEU  QD1     3.50  #     1M   28140.0  e   apr8     361
         HG     78 LEU  QD2     3.30  #   s 1M   38910.0  e   apr8     360
         HG     79 ALA  HN      4.70  #     5    12790.0  e   apr8    1325
         HG     80 TYR  HN      6.30  #   w 5     1742.0  e   apr8     958
         HG     80 TYR  QE      8.30  # r w 5      713.5*2e   apr8     966
         QD1    79 ALA  HN      5.50  #     5M    9093.0  e   apr8    1326
         QD1    80 TYR  HN      7.10  #     5M    2028.0  e   apr8    1312
         QD1    80 TYR  QD      9.30  # r   5M    1697.0*2e   apr8    1316
         QD1    80 TYR  QE      9.10  # r   5M    1977.5*2e   apr8     885
         QD2    79 ALA  HN      5.10  #     5M   14340.0  e   apr8    1327
         QD2    79 ALA  HA      7.30  #     5M    1646.0  e   apr8    2123
         QD2    80 TYR  HN      7.30  #   w 5M    1472.0  e   apr8    1313
         QD2    80 TYR  QD      9.30  # r w 5M    1486.5*2e   apr8    1314
         QD2    80 TYR  QE      8.30  # r   5M    4116.5*2e   apr8     886
 79 ALA  
         HN     79 ALA  HA      3.20  #     2    29720.0  e   apr8     237
         HN     79 ALA  QB      3.30  #   s 2M   39560.0  e   apr8     240
         HN     80 TYR  HN      3.70  #     2    10600.0  e   apr8     819
         HN     80 TYR  HB3     5.30  #     2     1297.0  e   apr8    2117
         HN     80 TYR  QD      8.30  # r w 5      881.0*2e   apr8     968
         HN     80 TYR  QE      8.30  # r w 5      842.0*2e   apr8    1321
         HA     79 ALA  QB      3.30  #   s 2M   90820.0  e   apr8     238
         HA     80 TYR  HN      3.70  #     2    11960.0  e   apr8     971
         QB     80 TYR  HN      3.50  #     2M   14140.0  e   apr8     818
         QB     80 TYR  HA      7.30  #   w 2M        .0  e   apr8    2118
         QB     80 TYR  HB2     7.30  #   w 5M     918.0  e   apr8    2122
         QB     80 TYR  HB3     7.30  #   w 5M    1111.0  e   apr8    2121
         QB     80 TYR  QD      8.00  # r   5M    5305.0*2e   apr8     881
         QB     80 TYR  QE      9.30  # r   5M    1739.5*2e   apr8    1320
 80 TYR  
         HN     80 TYR  HA      3.70  #     2    10740.0  e   apr8     536
         HN     80 TYR  HB2     3.40  #     2    20580.0  e   apr8     545
         HN     80 TYR  HB3     3.80  #     2     9424.0  e   apr8     542
         HN     80 TYR  QD      5.60  # r   1    14985.0*2e   apr8     969
         HN     80 TYR  QE      7.10  # m   1      681.5*2e   apr8     970
         HA     80 TYR  HB2     3.00  #     2    38090.0  e   apr8     546
         HA     80 TYR  HB3     2.90  #     2    46140.0  e   apr8     543
         HA     80 TYR  QD      4.20  # m   1    32820.0*2e   apr8     810
         HA     80 TYR  QE      6.30  # i   1     1004.0*2e   apr8     814
         HB2    80 TYR  QD      5.10  # r   1    37555.0*2e   apr8     812
         HB2    80 TYR  QE      6.30  # r   1     5160.0*2e   apr8     816
         HB3    80 TYR  QD      5.00  # r   1    44965.0*2e   apr8    1307
         HB3    80 TYR  QE      6.60  # r   1     3761.5*2e   apr8     815
         QD     80 TYR  QE      6.90  # rr  1    55450.0*4e   apr8     880
cysmar14.aco0100644000033200003110000000040207352403770012535 0ustar  psacprojects  10 CYS   CHI2     40.0  100.0
  13 CYS   CHI2    -70.0  -10.0
  16 CYS   CHI2   -135.0  -75.0
  57 CYS   CHI2     50.0  110.0
  20 CYS   CHI2     60.0  120.0
  47 CYS   CHI2     40.0  100.0 
  50 CYS   CHI2    -75.0   -5.0 
  53 CYS   CHI2   -150.0  -90.0
new-apr1.upl0100644000033200003110000001456607352404275012603 0ustar  psacprojects50 CYS
         HB3    48 VAL  QG1     6.25 #apr 1 6.50
  HB3    21 PRO  QD      5.75 #mar17a Liu #apr 1 6.00
         HB3    21 PRO  QG      5.75 #mar17a Liu #apr 1 6.00
         HB3    50 CYS  HA      3.75 #apr 1 4.00
         HB3    22 LEU  QD1     5.75 #apr 1 6.00
         HB3    22 LEU  QD2     5.75 #apr 1 6.00
         HB3    22 LEU  HG      5.75 #apr 1 6.00
         HB2    22 LEU  QD1     5.75 #apr 1 6.00
         HA     22 LEU  QD1     5.75 #apr 1 6.00
         HA     48 VAL  HN      5.75 #apr 1 6.00
         HA     48 VAL  QG1     5.75 #apr 1 6.00
         HA     50 CYS  HB2     3.00
         HA     51 LYS+ HN      3.75 #apr 1 4.00
         HA     52 ARG+ HN      5.50
13 CYS
         HA     11 ILE  QG1     5.25 #apr 1 5.50 
         HA     11 ILE  QD1     4.75 #apr 1 5.00
#mar14   HA     11 ILE  HB      5.75 #apr 1 5.75
         HA     12 GLY  HA1     5.25 #apr 1 5.50
         HA     12 GLY  HA2     5.25 #apr 1 5.50
         HA     13 CYS  HB2     3.50
         HA     13 CYS  HB3     3.00
         HA     14 THR  QG2     5.75 #apr 1 6.00 
         HB2    11 ILE  QD1     4.25 #mar13 #apr 1 4.50
         HB3    11 ILE  QD1     4.75 #mar13 #apr 1 5.00
53 CYS
#mar14   HB2    62 LEU  QD1     5.75 #apr 1 6.00 
         HB2    25 LEU  QD1     4.75 #apr 1 5.00 
         HB2    25 LEU  QD2     4.75 #apr 1 5.00
         HB2    16 CYS  HA      4.75 #apr 1 5.00
         HB2    16 CYS  HB2     4.25 #apr 1 4.50
         HB2    68 LEU  QD2     5.75 #apr 1 6.00
         HB2    53 CYS  HA      4.00
         HB2    53 CYS  HB3     4.50
         HB2    55 THR  HN      5.25 # mar13 #apr 1 6.00
         HB2    55 THR  QG2     5.75 #mar14 5.50 # mar13 #apr 1 6.00
         HA     16 CYS  HB2     4.75 #apr 1 5.00
         HA     16 CYS  HA      4.75 #apr 1 5.00
  HA     19 ALA  QB      5.55 #apr 1 6.00
         HB2     4 VAL  QG2     5.75 # mar13 #apr 1 6.00
         HB2     4 VAL  QG1     5.75 # mar13 #apr 1 6.00
  HB2     4 VAL  HB      5.75 #mar17 Liu #apr 1 6.00
         HB2    19 ALA  QB      5.75 #apr 1 6.00 #mar17a Liu
16 CYS
         HB2    25 LEU  QD1     5.25 #apr 1 5.50
         HB2    25 LEU  QD2     5.25 #apr 1 5.50
         HB2    53 CYS  HA      4.75 #apr 1 5.00
         HB2    53 CYS  HB2     4.25 #apr 1 4.50
         HB2    55 THR  QG2     5.75 #apr 1 6.00 # mar13
         HB2    55 THR  HB      5.75 #apr 1 6.00 # mar13
         HB2    56 ALA  QB      6.00 # mar13 #mar27 6.00#apr 1 6.00
         HB2    16 CYS  HA      3.00
         HB2    17 VAL  HN      4.75 #apr 1 5.00 # mar13
         HA     17 VAL  HN      3.75 #mar14 from 3.50 # mar13 #apr 1 4.00
         HA     17 VAL  QG2     4.75 # mar13 #apr 1 5.00
         HA     18 ARG+ HN      5.00 # mar13 #apr 1 5.50 #apr 1 5.50
         HA     25 LEU  QD1     5.25 # mar13 #apr 1 5.50
         HA     25 LEU  QD2     4.75 # mar13 #apr 1 5.00
         HB2    15 GLN  HE21    5.50 # mar19 from 5.50 # mar22 5.75 #apr 1 5.75
         HB2    15 GLN  HE22    6.50 #apr 1 6.50 
  # mar20 5.50 Changed HE1 to 2 #mar25 5.75 # mar27 6.00
         HB2    17 VAL  QG2     4.75 # mar13 #apr 1 5.00
         HB2    18 ARG+ HN      5.50 # mar13 #mar20 5.50 #apr 1 5.75
         HB3    18 ARG+ HN      5.50 # mar13 # mar25 5.50 #apr 1 5.75
         HB3    16 CYS  HA      3.00
47 CYS   
         HB2    44 THR  QG2     4.75 #apr 1 5.00
  HB2    24 VAL  QQG     4.75 #mar17a Liu #apr 1 5.00
         HB2    44 THR  HA      4.75 #apr 1 5.00
         HB2    46 ASP- HA      5.25 # mar13 #apr 1 5.55
         HB2    46 ASP- HN      4.75 # mar13 #apr 1 5.00
         HB2    46 ASP- HB2     5.25 #mar14 from 5.00 #apr 1 5.5
         HB2    46 ASP- HB3     5.25 #mar14 from 5.00 #apr 1 5.5
         HB3    46 ASP- HB2     5.25 #mar14 from 5.00 # mar13 #apr 1 5.5
         HB3    46 ASP- HB3     5.25 #mar14 from 5.00 # mar13 #apr 1 5.5
         HB3    44 THR  HA      4.25 #apr 1 4.50
         HB3    22 LEU  QQD     6.25 # mar13 #apr 1 6.00
10 CYS
         HB2    38 ILE  QD1     4.75 #apr 1 5.00
         HB2    38 ILE  QG2     5.75 #apr 1 6.00
         HB2    38 ILE  QG1     4.75 #apr 1 5.00
         HB2    38 ILE  HB      4.75 #apr 1 5.00
         HB2    38 ILE  HA      5.75 #mar13 #apr 1 6.00
  HB2    39 ALA  QB      5.75 #mar17 #apr 1 6.00
         HB2    30 TRP  HE1     6.35 #mar14 5.50 mar20 6.0# mar24 6.3
  # mar25 6.5 #apr 1 6.6
#        HB2    37 GLN  HN      5.25 #apr 1 5.5
         HB2    10 CYS  HN      3.50
         HB2     8 ASP- HA      4.75 #mar14 from 4.50 #apr 1 5.00
         HB2     9 THR  HA      5.25 #mar14 from 5.00 #mar13 #apr 1 5.5
         HB2     9 THR  QG2     5.25 #mar13 #apr 1 5.5
#        HB2     8 ASP- HB2     5.75 #mar14 #apr 1 6.00
#        HB2     8 ASP- HB3     5.75 #apr 1 6.00 
         HB3    10 CYS  HN      3.50
         HB3     8 ASP- HA      5.25 #mar13 #apr 1 5.50
         HB3     9 THR  HA      5.25 #mar13 #apr 1 5.5
# mar14  HB3     9 THR  QG2     5.75 #mar13 #apr 1 5.5
         HB3    38 ILE  QD1     4.25 #mar13 #apr 1 5.50
         HB3    38 ILE  QG2     5.75 #mar13 #apr 1 6.00
         HB3    38 ILE  QG1     4.25 #mar13 #apr 1 4.50
         HB3    38 ILE  HB      5.25 #mar13 #apr 1 5.50
         HB3    11 ILE  HN      4.75 #mar13 #apr 1 5.00
         HB3    11 ILE  HA      4.75 #mar13 #apr 1 5.00
57 CYS  
         HB3    15 GLN  HE22    5.50 #apr 1 5.75 
  #Changed sterospecific assignment # mar27 5.5
         HB3    15 GLN  HE21    5.50 #mar14 4.50 #mar17 5.0 #mar18 5.5
  #apr 1 5.75
         HB3    62 LEU  QQD     5.00 #mar14 from 4.50 #mar 25 from 5.00
  #apr 1 5.25 
         HB3    62 LEU  QB      5.75 #apr 1 6.00
         HB3    58 PRO  QD      5.25 #apr 1 5.50
         HB3    60 ASP- HB2     5.25 #apr 1 5.5
         HB3    60 ASP- HB3     5.75 #mar14 #apr 1 6.00
         HB3    61 PHE  HB2     5.25 #apr 1 5.5
         HB3    61 PHE  QD      5.75 #apr 1 6.00
#mar14   HB3    61 PHE  QE      6.50
         HB3    61 PHE  HN      5.75 #apr 1 6.00
         HB2     9 THR  QG2     5.75 #mar13 #apr 1 6.00
  HB2     9 THR  HB      5.75 #mar17 Liu #apr 1 6.00
         HB2    15 GLN  QG      6.25 #mar17a #mar27 6.00 #apr 1 6.25
         HB3    56 ALA  QB      5.75 #mar13 #apr 1 6.00
         HB2    56 ALA  QB      5.75 #mar13 #apr 1 6.00
20 CYS 
         HB3    23 ASP- HA      5.25 #apr 1 5.50
         HB3    23 ASP- HN      5.25 #apr 1 5.50
         HB3    17 VAL  HA      4.75 #apr 1 5.0
         HB3    18 ARG+ HN      5.25 #mar13 #apr 1 5.50
         HB3    19 ALA  HN      5.25 #mar13 #apr 1 5.50
         HB2    25 LEU  QQD     5.25 #mar13 #apr 1 5.5
sg.lol0100644000033200003110000000474407352403710011536 0ustar  psacprojects 10 CYS 
         FE     13 CYS  FE      2.65  5.00E+00
         FE     16 CYS  FE      2.65  5.00E+00
         FE     57 CYS  FE      2.65  5.00E+00
         FE     13 CYS  SE      2.20  5.00E+00
         FE     16 CYS  SE      2.20  5.00E+00
         SE     13 CYS  FE      2.20  5.00E+00
         SE     57 CYS  FE      2.20  5.00E+00
         SE     13 CYS  SE      3.53  5.00E+00
         SE     16 CYS  SE      3.53  5.00E+00
         SE     57 CYS  SE      3.53  5.00E+00
         SG     13 CYS  SG      5.80  5.00E+00
         SG     16 CYS  SG      5.80  5.00E+00
         SG     57 CYS  SG      5.80  5.00E+00    
 13 CYS 
         FE     16 CYS  FE      2.65  5.00E+00
         FE     57 CYS  FE      2.65  5.00E+00
         FE     57 CYS  SE      2.20  5.00E+00
         SE     16 CYS  FE      2.20  5.00E+00
         SE     16 CYS  SE      3.53  5.00E+00
         SE     57 CYS  SE      3.53  5.00E+00
         SG     16 CYS  SG      5.80  5.00E+00
         SG     57 CYS  SG      5.80  5.00E+00    
 16 CYS 
         FE     57 CYS  FE      2.65  5.00E+00 
         FE     57 CYS  SE      2.20  5.00E+00
         SE     57 CYS  FE      2.20  5.00E+00 
         SE     57 CYS  SE      3.53  5.00E+00 
         SG     57 CYS  SG      5.80  5.00E+00
 20 CYS 
         FE     47 CYS  FE      2.65  5.00E+00
         FE     50 CYS  FE      2.65  5.00E+00
         FE     53 CYS  FE      2.65  5.00E+00 
         FE     47 CYS  SE      2.20  5.00E+00
         FE     53 CYS  SE      2.20  5.00E+00
         SE     50 CYS  FE      2.20  5.00E+00 
         SE     53 CYS  FE      2.20  5.00E+00
         SE     47 CYS  SE      3.53  5.00E+00
         SE     50 CYS  SE      3.53  5.00E+00
         SE     53 CYS  SE      3.53  5.00E+00 
         SG     47 CYS  SG      5.80  5.00E+00
         SG     50 CYS  SG      5.80  5.00E+00
         SG     53 CYS  SG      5.80  5.00E+00 
 47 CYS 
         FE     50 CYS  FE      2.65  5.00E+00    
         FE     53 CYS  FE      2.65  5.00E+00     
         FE     50 CYS  SE      2.20  5.00E+00
         FE     53 CYS  SE      2.20  5.00E+00
         SE     50 CYS  FE      2.20  5.00E+00   
         SE     50 CYS  SE      3.53  5.00E+00   
         SE     53 CYS  SE      3.53  5.00E+00 
         SG     50 CYS  SG      5.80  5.00E+00
         SG     53 CYS  SG      5.80  5.00E+00
 50 CYS 
         FE     53 CYS  FE      2.65  5.00E+00 
         SE     53 CYS  FE      2.20  5.00E+00 
         SE     53 CYS  SE      3.53  5.00E+00 
         SG     53 CYS  SG      5.80  5.00E+00
sg.upl0100644000033200003110000000474407352403710011550 0ustar  psacprojects 10 CYS 
         FE     13 CYS  FE      2.85  5.00E+00
         FE     16 CYS  FE      2.85  5.00E+00
         FE     57 CYS  FE      2.85  5.00E+00
         FE     13 CYS  SE      2.40  5.00E+00
         FE     16 CYS  SE      2.40  5.00E+00
         SE     13 CYS  FE      2.40  5.00E+00
         SE     57 CYS  FE      2.40  5.00E+00
         SE     13 CYS  SE      3.73  5.00E+00
         SE     16 CYS  SE      3.73  5.00E+00
         SE     57 CYS  SE      3.73  5.00E+00
         SG     13 CYS  SG      6.80  5.00E+00
         SG     16 CYS  SG      6.80  5.00E+00
         SG     57 CYS  SG      6.80  5.00E+00    
 13 CYS 
         FE     16 CYS  FE      2.85  5.00E+00
         FE     57 CYS  FE      2.85  5.00E+00
         FE     57 CYS  SE      2.40  5.00E+00
         SE     16 CYS  FE      2.40  5.00E+00
         SE     16 CYS  SE      3.73  5.00E+00
         SE     57 CYS  SE      3.73  5.00E+00
         SG     16 CYS  SG      6.80  5.00E+00
         SG     57 CYS  SG      6.80  5.00E+00    
 16 CYS 
         FE     57 CYS  FE      2.85  5.00E+00 
         FE     57 CYS  SE      2.40  5.00E+00
         SE     57 CYS  FE      2.40  5.00E+00 
         SE     57 CYS  SE      3.70  5.00E+00 
         SG     57 CYS  SG      6.80  5.00E+00
 20 CYS 
         FE     47 CYS  FE      2.85  5.00E+00
         FE     50 CYS  FE      2.85  5.00E+00
         FE     53 CYS  FE      2.85  5.00E+00 
         FE     47 CYS  SE      2.40  5.00E+00
         FE     53 CYS  SE      2.40  5.00E+00
         SE     50 CYS  FE      2.40  5.00E+00 
         SE     53 CYS  FE      2.40  5.00E+00
         SE     47 CYS  SE      3.73  5.00E+00
         SE     50 CYS  SE      3.73  5.00E+00
         SE     53 CYS  SE      3.73  5.00E+00 
         SG     47 CYS  SG      6.80  5.00E+00
         SG     50 CYS  SG      6.80  5.00E+00
         SG     53 CYS  SG      6.80  5.00E+00 
 47 CYS 
         FE     50 CYS  FE      2.85  5.00E+00    
         FE     53 CYS  FE      2.85  5.00E+00     
         FE     50 CYS  SE      2.40  5.00E+00
         FE     53 CYS  SE      2.40  5.00E+00
         SE     50 CYS  FE      2.40  5.00E+00   
         SE     50 CYS  SE      3.73  5.00E+00   
         SE     53 CYS  SE      3.73  5.00E+00 
         SG     50 CYS  SG      6.80  5.00E+00
         SG     53 CYS  SG      6.80  5.00E+00
 50 CYS 
         FE     53 CYS  FE      2.85  5.00E+00 
         SE     53 CYS  FE      2.40  5.00E+00 
         SE     53 CYS  SE      3.73  5.00E+00 
         SG     53 CYS  SG      6.80  5.00E+00
sga.lol0100644000033200003110000000065207352403710011671 0ustar  psacprojects 10 CYS 
         FE     57 CYS  SE      3.75  5.00E+00
         SE     16 CYS  FE      3.75  5.00E+00
 13 CYS 
         FE     16 CYS  SE      3.75  5.00E+00
         SE     57 CYS  FE      3.75  5.00E+00
 20 CYS 
         FE     50 CYS  SE      3.75  5.00E+00
         SE     47 CYS  FE      3.75  5.00E+00
 47 CYS 
         SE     53 CYS  FE      3.75  5.00E+00     
 50 CYS 
         FE     53 CYS  SE      3.75  5.00E+00
sga.upl0100644000033200003110000000065207352403710011703 0ustar  psacprojects 10 CYS 
         FE     57 CYS  SE      4.05  5.00E+00
         SE     16 CYS  FE      4.05  5.00E+00
 13 CYS 
         FE     16 CYS  SE      4.05  5.00E+00
         SE     57 CYS  FE      4.05  5.00E+00
 20 CYS 
         FE     50 CYS  SE      4.05  5.00E+00
         SE     47 CYS  FE      4.05  5.00E+00
 47 CYS 
         SE     53 CYS  FE      4.05  5.00E+00     
 50 CYS 
         FE     53 CYS  SE      4.05  5.00E+00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    SER   1           HN       SER   1  -3.556  -3.360  12.978
    2    HA   SER   1           HA       SER   1  -3.984  -3.914  10.196
    3   1HB   SER   1          2HB       SER   1  -4.123  -1.450  10.256
    4   2HB   SER   1          3HB       SER   1  -2.608  -1.357  11.133
    5    HG   SER   1           HG       SER   1  -2.681  -2.716   8.608
    6    H    HIS   2           HN       HIS   2  -2.298  -5.179   9.399
    7    HA   HIS   2           HA       HIS   2   0.247  -5.067  10.776
    8   1HB   HIS   2          2HB       HIS   2   0.165  -7.678  10.774
    9   2HB   HIS   2          3HB       HIS   2  -0.529  -6.766  12.100
   10    HD1  HIS   2           HD1      HIS   2  -3.237  -6.445  12.000
   11    HD2  HIS   2           HD2      HIS   2  -1.591  -9.367   9.479
   12    HE1  HIS   2           HE1      HIS   2  -5.171  -7.954  11.297
   13    H    SER   3           HN       SER   3   2.007  -5.746   9.459
   14    HA   SER   3           HA       SER   3   3.080  -5.988   7.588
   15   1HB   SER   3          2HB       SER   3   2.553  -8.208   7.270
   16   2HB   SER   3          3HB       SER   3   0.825  -7.921   7.314
   17    HG   SER   3           HG       SER   3   0.896  -8.096   5.187
   18    H    VAL   4           HN       VAL   4   3.059  -5.522   5.118
   19    HA   VAL   4           HA       VAL   4   0.816  -4.244   3.994
   20    HB   VAL   4           HB       VAL   4   1.307  -2.513   5.607
   21   1HG1  VAL   4          1HG1      VAL   4   3.447  -1.311   5.629
   22   2HG1  VAL   4          2HG1      VAL   4   3.673  -3.032   6.020
   23   3HG1  VAL   4          3HG1      VAL   4   4.094  -2.424   4.401
   24   1HG2  VAL   4          1HG2      VAL   4   2.373  -1.433   3.003
   25   2HG2  VAL   4          2HG2      VAL   4   0.702  -2.032   3.124
   26   3HG2  VAL   4          3HG2      VAL   4   1.242  -0.688   4.158
   27    H    LYS   5           HN       LYS   5   2.719  -6.350   3.388
   28    HA   LYS   5           HA       LYS   5   4.806  -5.536   1.773
   29   1HB   LYS   5          2HB       LYS   5   3.221  -8.004   2.185
   30   2HB   LYS   5          3HB       LYS   5   4.036  -7.890   0.639
   31   1HG   LYS   5          2HG       LYS   5   5.632  -7.113   3.065
   32   2HG   LYS   5          3HG       LYS   5   5.260  -8.816   2.880
   33   1HD   LYS   5          2HD       LYS   5   6.499  -7.134   0.654
   34   2HD   LYS   5          3HD       LYS   5   7.454  -8.045   1.807
   35   1HE   LYS   5          2HE       LYS   5   6.324 -10.154   1.096
   36   2HE   LYS   5          3HE       LYS   5   5.334  -9.253  -0.034
   37   1HZ   LYS   5          1HZ       LYS   5   8.192  -8.892  -0.239
   38   2HZ   LYS   5          2HZ       LYS   5   7.601 -10.337  -0.718
   39   3HZ   LYS   5          3HZ       LYS   5   7.065  -8.962  -1.418
   40    H    ILE   6           HN       ILE   6   4.577  -6.463  -0.778
   41    HA   ILE   6           HA       ILE   6   2.895  -4.429  -1.932
   42    HB   ILE   6           HB       ILE   6   4.915  -6.359  -3.066
   43   1HG1  ILE   6          2HG1      ILE   6   5.773  -3.797  -3.566
   44   2HG1  ILE   6          3HG1      ILE   6   5.001  -3.611  -2.004
   45   1HG2  ILE   6          1HG2      ILE   6   4.671  -4.814  -5.125
   46   2HG2  ILE   6          2HG2      ILE   6   3.474  -6.106  -4.870
   47   3HG2  ILE   6          3HG2      ILE   6   3.072  -4.424  -4.448
   48   1HD1  ILE   6          1HD1      ILE   6   6.691  -4.697  -0.953
   49   2HD1  ILE   6          2HD1      ILE   6   6.581  -6.073  -2.077
   50   3HD1  ILE   6          3HD1      ILE   6   7.574  -4.657  -2.498
   51    H    TYR   7           HN       TYR   7   0.740  -4.915  -1.925
   52    HA   TYR   7           HA       TYR   7   0.024  -7.472  -3.187
   53   1HB   TYR   7          2HB       TYR   7  -1.267  -5.935  -0.846
   54   2HB   TYR   7          3HB       TYR   7  -1.933  -7.400  -1.537
   55    HD1  TYR   7           HD1      TYR   7   0.736  -8.888  -1.890
   56    HD2  TYR   7           HD2      TYR   7  -0.932  -6.700   1.386
   57    HE1  TYR   7           HE1      TYR   7   2.104 -10.276  -0.258
   58    HE2  TYR   7           HE2      TYR   7   0.443  -8.095   3.008
   59    HH   TYR   7           HH       TYR   7   2.795 -10.445   1.817
   60    H    ASP   8           HN       ASP   8  -2.011  -7.452  -4.371
   61    HA   ASP   8           HA       ASP   8  -2.444  -4.864  -5.522
   62   1HB   ASP   8          2HB       ASP   8  -4.048  -6.227  -7.014
   63   2HB   ASP   8          3HB       ASP   8  -2.345  -6.624  -7.122
   64    H    THR   9           HN       THR   9  -3.272  -4.965  -2.804
   65    HA   THR   9           HA       THR   9  -6.172  -5.378  -2.903
   66    HB   THR   9           HB       THR   9  -4.804  -6.488  -1.101
   67    HG1  THR   9           1HG      THR   9  -6.080  -4.850   0.575
   68   1HG2  THR   9          1HG2      THR   9  -3.621  -5.249   0.531
   69   2HG2  THR   9          2HG2      THR   9  -3.205  -4.360  -0.954
   70   3HG2  THR   9          3HG2      THR   9  -4.469  -3.736   0.133
   71    H    CYS  10           HN       CYS  10  -6.974  -3.614  -4.006
   72    HA   CYS  10           HA       CYS  10  -6.901  -1.179  -2.472
   73   1HB   CYS  10          2HB       CYS  10  -4.933  -1.048  -4.070
   74   2HB   CYS  10          3HB       CYS  10  -6.086  -1.066  -5.389
   75    H    ILE  11           HN       ILE  11  -8.801   0.105  -2.904
   76    HA   ILE  11           HA       ILE  11 -10.621  -1.028  -4.899
   77    HB   ILE  11           HB       ILE  11 -12.474  -0.690  -3.269
   78   1HG1  ILE  11          2HG1      ILE  11 -11.377  -0.929  -0.794
   79   2HG1  ILE  11          3HG1      ILE  11 -10.201   0.128  -1.549
   80   1HG2  ILE  11          1HG2      ILE  11 -10.895  -2.704  -1.871
   81   2HG2  ILE  11          2HG2      ILE  11 -12.371  -2.875  -2.851
   82   3HG2  ILE  11          3HG2      ILE  11 -10.776  -2.849  -3.641
   83   1HD1  ILE  11          1HD1      ILE  11 -11.643   1.817  -1.047
   84   2HD1  ILE  11          2HD1      ILE  11 -12.617   1.221  -2.412
   85   3HD1  ILE  11          3HD1      ILE  11 -12.987   0.688  -0.754
   86    H    GLY  12           HN       GLY  12  -9.780   1.706  -2.694
   87   1HA   GLY  12          1HA       GLY  12  -9.474   3.777  -4.167
   88   2HA   GLY  12          2HA       GLY  12 -11.168   3.532  -4.545
   89    H    CYS  13           HN       CYS  13  -9.378   3.075  -1.422
   90    HA   CYS  13           HA       CYS  13 -11.399   4.739  -0.165
   91   1HB   CYS  13          2HB       CYS  13 -10.961   3.646   1.814
   92   2HB   CYS  13          3HB       CYS  13 -10.604   2.378   0.658
   93    H    THR  14           HN       THR  14  -8.002   4.614  -1.153
   94    HA   THR  14           HA       THR  14  -6.579   6.356  -1.379
   95    HB   THR  14           HB       THR  14  -8.909   7.723  -0.881
   96    HG1  THR  14           1HG      THR  14  -7.556   9.293  -1.736
   97   1HG2  THR  14          1HG2      THR  14  -7.006   8.949   1.113
   98   2HG2  THR  14          2HG2      THR  14  -8.779   9.082   1.020
   99   3HG2  THR  14          3HG2      THR  14  -8.030   7.608   1.679
  100    H    GLN  15           HN       GLN  15  -7.882   5.353   1.769
  101    HA   GLN  15           HA       GLN  15  -5.872   6.277   3.369
  102   1HB   GLN  15          2HB       GLN  15  -6.985   5.108   4.968
  103   2HB   GLN  15          3HB       GLN  15  -8.128   4.719   3.699
  104   1HG   GLN  15          2HG       GLN  15  -6.499   2.724   3.150
  105   2HG   GLN  15          3HG       GLN  15  -5.832   3.028   4.742
  106   1HE2  GLN  15          1HE2      GLN  15  -6.685   0.715   4.791
  107   2HE2  GLN  15          2HE2      GLN  15  -8.278   0.479   5.429
  108    H    CYS  16           HN       CYS  16  -3.922   5.283   4.239
  109    HA   CYS  16           HA       CYS  16  -2.230   3.807   4.280
  110   1HB   CYS  16          2HB       CYS  16  -2.300   1.771   3.301
  111   2HB   CYS  16          3HB       CYS  16  -3.977   2.186   3.007
  112    H    VAL  17           HN       VAL  17  -3.379   5.126   1.121
  113    HA   VAL  17           HA       VAL  17  -0.639   5.627   0.305
  114    HB   VAL  17           HB       VAL  17  -3.209   6.310  -1.123
  115   1HG1  VAL  17          1HG1      VAL  17  -1.932   6.946  -2.852
  116   2HG1  VAL  17          2HG1      VAL  17  -0.574   6.958  -1.701
  117   3HG1  VAL  17          3HG1      VAL  17  -0.877   5.520  -2.706
  118   1HG2  VAL  17          1HG2      VAL  17  -1.720   3.692  -0.939
  119   2HG2  VAL  17          2HG2      VAL  17  -3.467   4.008  -0.804
  120   3HG2  VAL  17          3HG2      VAL  17  -2.663   4.113  -2.389
  121    H    ARG  18           HN       ARG  18  -1.970   6.952   2.704
  122    HA   ARG  18           HA       ARG  18  -1.457   9.654   1.772
  123   1HB   ARG  18          2HB       ARG  18  -3.934   8.592   2.933
  124   2HB   ARG  18          3HB       ARG  18  -3.291   9.876   3.937
  125   1HG   ARG  18          2HG       ARG  18  -4.724  10.936   2.314
  126   2HG   ARG  18          3HG       ARG  18  -3.079  11.313   1.842
  127   1HD   ARG  18          2HD       ARG  18  -3.620   8.869   0.531
  128   2HD   ARG  18          3HD       ARG  18  -5.119   9.765   0.392
  129    HE   ARG  18           HE       ARG  18  -2.641  10.361  -0.971
  130   1HH1  ARG  18          1HH1      ARG  18  -3.658  13.502  -2.100
  131   2HH1  ARG  18          2HH1      ARG  18  -2.502  12.226  -2.284
  132   1HH2  ARG  18          1HH2      ARG  18  -5.347  13.319  -0.518
  133   2HH2  ARG  18          2HH2      ARG  18  -5.451  11.906   0.478
  134    H    ALA  19           HN       ALA  19  -1.924   7.483   4.651
  135    HA   ALA  19           HA       ALA  19  -0.350   9.169   6.336
  136   1HB   ALA  19          1HB       ALA  19  -2.245   7.147   6.660
  137   2HB   ALA  19          2HB       ALA  19  -0.728   6.394   7.206
  138   3HB   ALA  19          3HB       ALA  19  -1.289   7.909   7.954
  139    H    CYS  20           HN       CYS  20   1.641   9.404   5.137
  140    HA   CYS  20           HA       CYS  20   3.595   7.595   5.892
  141   1HB   CYS  20          2HB       CYS  20   2.478   6.146   4.152
  142   2HB   CYS  20          3HB       CYS  20   2.946   7.322   2.941
  143    HA   PRO  21           HA       PRO  21   4.973  11.670   4.643
  144   1HB   PRO  21          2HB       PRO  21   6.709  12.066   6.716
  145   2HB   PRO  21          3HB       PRO  21   5.025  12.548   6.770
  146   1HG   PRO  21          2HG       PRO  21   6.340  10.254   8.093
  147   2HG   PRO  21          3HG       PRO  21   4.794  10.994   8.460
  148   1HD   PRO  21          2HD       PRO  21   5.228   8.526   7.064
  149   2HD   PRO  21          3HD       PRO  21   3.690   9.324   7.330
  150    H    LEU  22           HN       LEU  22   6.422   8.683   4.862
  151    HA   LEU  22           HA       LEU  22   8.955   9.704   3.847
  152   1HB   LEU  22          2HB       LEU  22   8.090   6.922   4.650
  153   2HB   LEU  22          3HB       LEU  22   9.691   7.362   4.090
  154    HG   LEU  22           HG       LEU  22   9.152   9.121   6.221
  155   1HD1  LEU  22          1HD1      LEU  22   8.451   6.290   7.037
  156   2HD1  LEU  22          2HD1      LEU  22   8.514   7.737   8.072
  157   3HD1  LEU  22          3HD1      LEU  22   7.266   7.598   6.811
  158   1HD2  LEU  22          1HD2      LEU  22  10.809   7.249   7.306
  159   2HD2  LEU  22          2HD2      LEU  22  11.012   6.931   5.567
  160   3HD2  LEU  22          3HD2      LEU  22  11.324   8.558   6.216
  161    H    ASP  23           HN       ASP  23   5.900   8.377   2.809
  162    HA   ASP  23           HA       ASP  23   5.095   8.106   0.802
  163   1HB   ASP  23          2HB       ASP  23   7.820   8.584  -0.463
  164   2HB   ASP  23          3HB       ASP  23   6.244   8.827  -1.191
  165    H    VAL  24           HN       VAL  24   5.143   5.790   1.680
  166    HA   VAL  24           HA       VAL  24   7.187   4.144   0.383
  167    HB   VAL  24           HB       VAL  24   5.260   3.561   2.640
  168   1HG1  VAL  24          1HG1      VAL  24   7.021   1.828   1.010
  169   2HG1  VAL  24          2HG1      VAL  24   7.154   1.608   2.772
  170   3HG1  VAL  24          3HG1      VAL  24   5.576   1.425   1.968
  171   1HG2  VAL  24          1HG2      VAL  24   7.191   5.176   3.071
  172   2HG2  VAL  24          2HG2      VAL  24   7.088   3.750   4.132
  173   3HG2  VAL  24          3HG2      VAL  24   8.274   3.788   2.805
  174    H    LEU  25           HN       LEU  25   3.645   3.945   1.198
  175    HA   LEU  25           HA       LEU  25   3.122   2.061  -0.805
  176   1HB   LEU  25          2HB       LEU  25   1.185   3.995   0.467
  177   2HB   LEU  25          3HB       LEU  25   0.805   2.473  -0.315
  178    HG   LEU  25           HG       LEU  25   2.505   1.585   1.599
  179   1HD1  LEU  25          1HD1      LEU  25   1.551   4.244   2.486
  180   2HD1  LEU  25          2HD1      LEU  25   1.421   2.927   3.676
  181   3HD1  LEU  25          3HD1      LEU  25   2.999   3.320   2.953
  182   1HD2  LEU  25          1HD2      LEU  25   0.707   0.397   2.134
  183   2HD2  LEU  25          2HD2      LEU  25  -0.139   1.837   2.750
  184   3HD2  LEU  25          3HD2      LEU  25  -0.228   1.424   1.021
  185    H    GLU  26           HN       GLU  26   3.990   2.662  -2.808
  186    HA   GLU  26           HA       GLU  26   2.915   5.142  -3.890
  187   1HB   GLU  26          2HB       GLU  26   5.294   3.469  -4.815
  188   2HB   GLU  26          3HB       GLU  26   4.760   4.957  -5.572
  189   1HG   GLU  26          2HG       GLU  26   4.976   5.906  -3.064
  190   2HG   GLU  26          3HG       GLU  26   6.084   4.559  -2.891
  191    H    MET  27           HN       MET  27   3.185   4.631  -6.643
  192    HA   MET  27           HA       MET  27   1.012   2.766  -6.962
  193   1HB   MET  27          2HB       MET  27   0.918   3.774  -9.274
  194   2HB   MET  27          3HB       MET  27   0.857   5.002  -8.026
  195   1HG   MET  27          2HG       MET  27   2.732   5.983  -8.849
  196   2HG   MET  27          3HG       MET  27   3.638   4.498  -8.635
  197   1HE   MET  27          1HE       MET  27   2.962   7.041 -10.599
  198   2HE   MET  27          2HE       MET  27   3.232   6.525 -12.282
  199   3HE   MET  27          3HE       MET  27   1.578   6.594 -11.627
  200    H    VAL  28           HN       VAL  28   1.129   0.810  -8.069
  201    HA   VAL  28           HA       VAL  28   3.718   0.191  -9.307
  202    HB   VAL  28           HB       VAL  28   3.918  -1.794  -8.196
  203   1HG1  VAL  28          1HG1      VAL  28   2.349  -0.398  -6.031
  204   2HG1  VAL  28          2HG1      VAL  28   3.849  -1.348  -5.902
  205   3HG1  VAL  28          3HG1      VAL  28   3.883   0.275  -6.633
  206   1HG2  VAL  28          1HG2      VAL  28   1.662  -2.501  -6.787
  207   2HG2  VAL  28          2HG2      VAL  28   0.977  -1.799  -8.272
  208   3HG2  VAL  28          3HG2      VAL  28   2.132  -3.149  -8.377
  209    HA   PRO  29           HA       PRO  29   1.373  -1.456 -12.549
  210   1HB   PRO  29          2HB       PRO  29   2.606  -3.791 -13.254
  211   2HB   PRO  29          3HB       PRO  29   3.217  -2.211 -13.703
  212   1HG   PRO  29          2HG       PRO  29   4.222  -4.069 -11.634
  213   2HG   PRO  29          3HG       PRO  29   5.041  -2.712 -12.383
  214   1HD   PRO  29          2HD       PRO  29   3.880  -2.781  -9.761
  215   2HD   PRO  29          3HD       PRO  29   4.595  -1.392 -10.554
  216    H    TRP  30           HN       TRP  30  -0.711  -1.973 -12.449
  217    HA   TRP  30           HA       TRP  30  -1.250  -4.648 -11.401
  218   1HB   TRP  30          2HB       TRP  30  -1.566  -3.155  -9.514
  219   2HB   TRP  30          3HB       TRP  30  -2.614  -2.119 -10.463
  220    HD1  TRP  30           HD1      TRP  30  -5.120  -2.562  -9.914
  221    HE1  TRP  30           HE1      TRP  30  -6.666  -4.561  -9.156
  222    HE3  TRP  30           HE3      TRP  30  -1.436  -6.065  -9.818
  223    HZ2  TRP  30           HZ2      TRP  30  -6.186  -7.321  -8.614
  224    HZ3  TRP  30           HZ3      TRP  30  -2.059  -8.388  -9.163
  225    HH2  TRP  30           HH2      TRP  30  -4.340  -9.039  -8.574
  226    H    ASP  31           HN       ASP  31  -3.772  -5.065 -11.885
  227    HA   ASP  31           HA       ASP  31  -4.476  -3.717 -14.350
  228   1HB   ASP  31          2HB       ASP  31  -3.245  -6.077 -14.583
  229   2HB   ASP  31          3HB       ASP  31  -4.815  -6.717 -14.140
  230    H    GLY  32           HN       GLY  32  -5.815  -2.913 -12.244
  231   1HA   GLY  32          1HA       GLY  32  -8.397  -4.235 -12.393
  232   2HA   GLY  32          2HA       GLY  32  -7.622  -4.275 -10.822
  233    H    CYS  33           HN       CYS  33  -6.205  -1.657 -11.216
  234    HA   CYS  33           HA       CYS  33  -8.317  -0.019 -10.269
  235   1HB   CYS  33          2HB       CYS  33  -5.500  -0.029 -10.096
  236   2HB   CYS  33          3HB       CYS  33  -5.911   1.459 -10.926
  237    HG   CYS  33           HG       CYS  33  -7.040   2.641  -9.161
  238    H    LYS  34           HN       LYS  34  -8.529   2.319 -11.284
  239    HA   LYS  34           HA       LYS  34  -9.461   1.990 -13.911
  240   1HB   LYS  34          2HB       LYS  34  -9.801   3.816 -11.844
  241   2HB   LYS  34          3HB       LYS  34  -8.980   4.755 -13.074
  242   1HG   LYS  34          2HG       LYS  34 -11.120   5.018 -13.886
  243   2HG   LYS  34          3HG       LYS  34 -10.770   3.491 -14.673
  244   1HD   LYS  34          2HD       LYS  34 -11.915   3.468 -11.870
  245   2HD   LYS  34          3HD       LYS  34 -12.984   3.788 -13.221
  246   1HE   LYS  34          2HE       LYS  34 -12.004   1.645 -14.311
  247   2HE   LYS  34          3HE       LYS  34 -11.289   1.299 -12.749
  248   1HZ   LYS  34          1HZ       LYS  34 -14.098   1.381 -13.484
  249   2HZ   LYS  34          2HZ       LYS  34 -13.294   0.277 -12.588
  250   3HZ   LYS  34          3HZ       LYS  34 -13.689   1.724 -11.940
  251    H    ALA  35           HN       ALA  35  -6.320   2.728 -12.550
  252    HA   ALA  35           HA       ALA  35  -5.388   3.429 -15.251
  253   1HB   ALA  35          1HB       ALA  35  -3.442   4.225 -13.393
  254   2HB   ALA  35          2HB       ALA  35  -4.582   5.283 -14.258
  255   3HB   ALA  35          3HB       ALA  35  -4.991   4.670 -12.638
  256    H    GLY  36           HN       GLY  36  -5.892   0.741 -13.906
  257   1HA   GLY  36          1HA       GLY  36  -4.819  -1.209 -13.498
  258   2HA   GLY  36          2HA       GLY  36  -3.900  -0.761 -14.921
  259    H    GLN  37           HN       GLN  37  -4.002   0.527 -11.517
  260    HA   GLN  37           HA       GLN  37  -1.315  -0.395 -11.135
  261   1HB   GLN  37          2HB       GLN  37  -0.499   1.901 -10.474
  262   2HB   GLN  37          3HB       GLN  37  -0.813   1.721 -12.188
  263   1HG   GLN  37          2HG       GLN  37  -2.177   3.528 -12.055
  264   2HG   GLN  37          3HG       GLN  37  -3.294   2.547 -11.128
  265   1HE2  GLN  37          1HE2      GLN  37  -3.708   3.050  -9.098
  266   2HE2  GLN  37          2HE2      GLN  37  -2.856   4.202  -8.124
  267    H    ILE  38           HN       ILE  38  -1.212  -1.197  -9.081
  268    HA   ILE  38           HA       ILE  38  -3.272  -0.300  -7.216
  269    HB   ILE  38           HB       ILE  38  -2.738  -2.766  -7.938
  270   1HG1  ILE  38          2HG1      ILE  38  -3.131  -3.011  -5.136
  271   2HG1  ILE  38          3HG1      ILE  38  -3.902  -1.515  -5.623
  272   1HG2  ILE  38          1HG2      ILE  38  -1.130  -3.045  -5.516
  273   2HG2  ILE  38          2HG2      ILE  38  -0.922  -3.772  -7.128
  274   3HG2  ILE  38          3HG2      ILE  38  -0.298  -2.137  -6.802
  275   1HD1  ILE  38          1HD1      ILE  38  -5.496  -3.364  -5.853
  276   2HD1  ILE  38          2HD1      ILE  38  -5.083  -2.745  -7.470
  277   3HD1  ILE  38          3HD1      ILE  38  -4.353  -4.259  -6.883
  278    H    ALA  39           HN       ALA  39  -2.763   0.459  -5.116
  279    HA   ALA  39           HA       ALA  39  -0.203   1.772  -5.001
  280   1HB   ALA  39          1HB       ALA  39  -2.356   1.734  -2.868
  281   2HB   ALA  39          2HB       ALA  39  -1.158   3.003  -3.215
  282   3HB   ALA  39          3HB       ALA  39  -2.509   2.724  -4.339
  283    H    SER  40           HN       SER  40   1.541   0.541  -4.454
  284    HA   SER  40           HA       SER  40   1.218  -1.067  -2.054
  285   1HB   SER  40          2HB       SER  40   2.313  -1.924  -4.736
  286   2HB   SER  40          3HB       SER  40   2.988  -2.632  -3.282
  287    HG   SER  40           HG       SER  40   0.595  -3.175  -4.527
  288    H    SER  41           HN       SER  41   3.734  -1.882  -1.512
  289    HA   SER  41           HA       SER  41   5.287   0.582  -1.691
  290   1HB   SER  41          2HB       SER  41   5.411  -1.485   0.546
  291   2HB   SER  41          3HB       SER  41   6.209   0.075   0.515
  292    HG   SER  41           HG       SER  41   4.157   1.124   0.608
  293    HA   PRO  42           HA       PRO  42   7.700  -2.653  -3.721
  294   1HB   PRO  42          2HB       PRO  42   8.515  -1.170  -5.867
  295   2HB   PRO  42          3HB       PRO  42   7.081  -2.177  -5.888
  296   1HG   PRO  42          2HG       PRO  42   7.277   0.767  -5.697
  297   2HG   PRO  42          3HG       PRO  42   5.895  -0.215  -6.141
  298   1HD   PRO  42          2HD       PRO  42   6.339   1.083  -3.622
  299   2HD   PRO  42          3HD       PRO  42   5.017   0.007  -4.028
  300    H    ARG  43           HN       ARG  43   8.819   0.697  -3.970
  301    HA   ARG  43           HA       ARG  43  11.404  -0.260  -3.164
  302   1HB   ARG  43          2HB       ARG  43  10.576   2.613  -3.796
  303   2HB   ARG  43          3HB       ARG  43  12.205   1.967  -3.789
  304   1HG   ARG  43          2HG       ARG  43  10.069   0.838  -5.640
  305   2HG   ARG  43          3HG       ARG  43  11.010   2.245  -6.092
  306   1HD   ARG  43          2HD       ARG  43  12.569   0.779  -6.880
  307   2HD   ARG  43          3HD       ARG  43  12.981   0.475  -5.204
  308    HE   ARG  43           HE       ARG  43  10.776  -1.178  -5.706
  309   1HH1  ARG  43          1HH1      ARG  43  12.396  -3.919  -7.135
  310   2HH1  ARG  43          2HH1      ARG  43  10.958  -3.365  -6.343
  311   1HH2  ARG  43          1HH2      ARG  43  14.136  -2.440  -7.548
  312   2HH2  ARG  43          2HH2      ARG  43  13.997  -0.783  -7.065
  313    H    THR  44           HN       THR  44  10.838  -0.815  -0.917
  314    HA   THR  44           HA       THR  44   9.953   1.364   0.787
  315    HB   THR  44           HB       THR  44  10.657  -1.560   1.378
  316    HG1  THR  44           1HG      THR  44   8.096  -0.179   1.056
  317   1HG2  THR  44          1HG2      THR  44  10.535  -0.216   3.452
  318   2HG2  THR  44          2HG2      THR  44   9.030   0.552   2.890
  319   3HG2  THR  44          3HG2      THR  44   9.048  -1.182   3.294
  320    H    GLU  45           HN       GLU  45  12.647   1.332  -0.678
  321    HA   GLU  45           HA       GLU  45  14.684   0.813   1.034
  322   1HB   GLU  45          2HB       GLU  45  16.017   2.302  -0.320
  323   2HB   GLU  45          3HB       GLU  45  14.847   1.544  -1.381
  324   1HG   GLU  45          2HG       GLU  45  13.439   3.524  -1.396
  325   2HG   GLU  45          3HG       GLU  45  14.342   4.257  -0.086
  326    H    ASP  46           HN       ASP  46  12.325   3.460   1.093
  327    HA   ASP  46           HA       ASP  46  13.801   4.591   3.338
  328   1HB   ASP  46          2HB       ASP  46  11.974   5.792   1.242
  329   2HB   ASP  46          3HB       ASP  46  12.098   6.575   2.805
  330    H    CYS  47           HN       CYS  47  12.855   3.812   5.237
  331    HA   CYS  47           HA       CYS  47  10.398   4.464   6.096
  332   1HB   CYS  47          2HB       CYS  47   9.136   3.299   4.524
  333   2HB   CYS  47          3HB       CYS  47  10.253   1.951   4.453
  334    H    VAL  48           HN       VAL  48  11.032   4.409   8.226
  335    HA   VAL  48           HA       VAL  48  12.618   2.099   9.087
  336    HB   VAL  48           HB       VAL  48  13.616   4.347   9.295
  337   1HG1  VAL  48          1HG1      VAL  48  11.023   4.951  10.481
  338   2HG1  VAL  48          2HG1      VAL  48  12.367   5.439  11.540
  339   3HG1  VAL  48          3HG1      VAL  48  12.283   6.049   9.870
  340   1HG2  VAL  48          1HG2      VAL  48  13.377   3.822  12.129
  341   2HG2  VAL  48          2HG2      VAL  48  13.493   2.295  11.223
  342   3HG2  VAL  48          3HG2      VAL  48  14.753   3.538  11.036
  343    H    GLY  49           HN       GLY  49   9.914   1.584   8.665
  344   1HA   GLY  49          1HA       GLY  49   8.018   0.904   9.675
  345   2HA   GLY  49          2HA       GLY  49   9.078   0.413  10.981
  346    H    CYS  50           HN       CYS  50   7.738   3.529   9.648
  347    HA   CYS  50           HA       CYS  50   7.655   4.621  12.296
  348   1HB   CYS  50          2HB       CYS  50   7.357   6.655  11.303
  349   2HB   CYS  50          3HB       CYS  50   8.095   5.807   9.958
  350    H    LYS  51           HN       LYS  51   5.444   5.757  12.931
  351    HA   LYS  51           HA       LYS  51   3.360   3.735  12.547
  352   1HB   LYS  51          2HB       LYS  51   4.426   4.944  14.858
  353   2HB   LYS  51          3HB       LYS  51   2.837   5.653  14.655
  354   1HG   LYS  51          2HG       LYS  51   2.296   3.000  14.100
  355   2HG   LYS  51          3HG       LYS  51   3.591   2.834  15.269
  356   1HD   LYS  51          2HD       LYS  51   1.712   4.891  16.149
  357   2HD   LYS  51          3HD       LYS  51   0.850   3.406  15.795
  358   1HE   LYS  51          2HE       LYS  51   3.075   2.457  17.172
  359   2HE   LYS  51          3HE       LYS  51   2.788   3.990  17.970
  360   1HZ   LYS  51          1HZ       LYS  51   0.325   2.996  17.771
  361   2HZ   LYS  51          2HZ       LYS  51   1.188   1.625  17.977
  362   3HZ   LYS  51          3HZ       LYS  51   1.282   2.822  19.083
  363    H    ARG  52           HN       ARG  52   2.646   4.487  10.479
  364    HA   ARG  52           HA       ARG  52   1.035   6.869  10.766
  365   1HB   ARG  52          2HB       ARG  52   3.347   7.233   9.511
  366   2HB   ARG  52          3HB       ARG  52   2.561   6.409   8.179
  367   1HG   ARG  52          2HG       ARG  52   1.890   8.549   7.645
  368   2HG   ARG  52          3HG       ARG  52   0.589   8.174   8.757
  369   1HD   ARG  52          2HD       ARG  52   2.823   9.100  10.329
  370   2HD   ARG  52          3HD       ARG  52   2.617  10.222   8.998
  371    HE   ARG  52           HE       ARG  52   0.031   9.893   9.861
  372   1HH1  ARG  52          1HH1      ARG  52  -0.072  11.812  12.774
  373   2HH1  ARG  52          2HH1      ARG  52  -1.007  11.096  11.504
  374   1HH2  ARG  52          1HH2      ARG  52   2.234  11.551  12.807
  375   2HH2  ARG  52          2HH2      ARG  52   3.020  10.639  11.562
  376    H    CYS  53           HN       CYS  53   2.034   4.403   8.266
  377    HA   CYS  53           HA       CYS  53  -0.213   4.246   6.832
  378   1HB   CYS  53          2HB       CYS  53   0.358   1.707   6.650
  379   2HB   CYS  53          3HB       CYS  53   1.497   2.898   6.052
  380    H    GLU  54           HN       GLU  54   0.309   1.500   9.099
  381    HA   GLU  54           HA       GLU  54  -1.236   0.263  10.087
  382   1HB   GLU  54          2HB       GLU  54  -0.390   2.033  11.748
  383   2HB   GLU  54          3HB       GLU  54  -1.907   2.875  11.501
  384   1HG   GLU  54          2HG       GLU  54  -3.160   0.829  12.219
  385   2HG   GLU  54          3HG       GLU  54  -1.643  -0.012  12.466
  386    H    THR  55           HN       THR  55  -2.287   1.048   7.599
  387    HA   THR  55           HA       THR  55  -5.080   0.813   8.132
  388    HB   THR  55           HB       THR  55  -4.564   3.325   8.424
  389    HG1  THR  55           1HG      THR  55  -6.275   2.013   6.488
  390   1HG2  THR  55          1HG2      THR  55  -3.007   3.829   6.651
  391   2HG2  THR  55          2HG2      THR  55  -3.973   2.934   5.454
  392   3HG2  THR  55          3HG2      THR  55  -4.565   4.485   6.095
  393    H    ALA  56           HN       ALA  56  -2.793  -0.585   6.801
  394    HA   ALA  56           HA       ALA  56  -3.016  -0.307   4.029
  395   1HB   ALA  56          1HB       ALA  56  -1.347  -1.809   4.132
  396   2HB   ALA  56          2HB       ALA  56  -1.560  -1.840   5.899
  397   3HB   ALA  56          3HB       ALA  56  -2.416  -3.021   4.879
  398    H    CYS  57           HN       CYS  57  -5.211  -0.128   3.400
  399    HA   CYS  57           HA       CYS  57  -7.227  -0.809   2.855
  400   1HB   CYS  57          2HB       CYS  57  -5.446  -2.927   2.133
  401   2HB   CYS  57          3HB       CYS  57  -6.941  -3.656   2.683
  402    HA   PRO  58           HA       PRO  58  -9.360  -2.479   6.282
  403   1HB   PRO  58          2HB       PRO  58 -11.396  -4.006   5.287
  404   2HB   PRO  58          3HB       PRO  58 -11.443  -2.255   5.327
  405   1HG   PRO  58          2HG       PRO  58 -10.994  -4.044   3.017
  406   2HG   PRO  58          3HG       PRO  58 -11.463  -2.356   3.023
  407   1HD   PRO  58          2HD       PRO  58  -8.859  -3.411   2.449
  408   2HD   PRO  58          3HD       PRO  58  -9.301  -1.720   2.568
  409    H    THR  59           HN       THR  59  -7.385  -4.388   4.623
  410    HA   THR  59           HA       THR  59  -6.251  -6.191   5.342
  411    HB   THR  59           HB       THR  59  -8.309  -6.727   7.514
  412    HG1  THR  59           1HG      THR  59  -7.056  -5.042   8.689
  413   1HG2  THR  59          1HG2      THR  59  -6.619  -8.041   8.306
  414   2HG2  THR  59          2HG2      THR  59  -5.621  -7.606   6.897
  415   3HG2  THR  59          3HG2      THR  59  -5.558  -6.613   8.373
  416    H    ASP  60           HN       ASP  60  -9.446  -5.993   4.250
  417    HA   ASP  60           HA       ASP  60 -10.451  -8.448   4.253
  418   1HB   ASP  60          2HB       ASP  60 -10.637  -6.110   2.584
  419   2HB   ASP  60          3HB       ASP  60 -10.571  -7.498   1.517
  420    H    PHE  61           HN       PHE  61  -7.515  -7.303   2.635
  421    HA   PHE  61           HA       PHE  61  -7.200  -9.956   1.415
  422   1HB   PHE  61          2HB       PHE  61  -6.343  -7.120   0.609
  423   2HB   PHE  61          3HB       PHE  61  -5.612  -8.531  -0.131
  424    HD1  PHE  61           HD1      PHE  61  -6.951 -10.004  -1.584
  425    HD2  PHE  61           HD2      PHE  61  -8.577  -6.437   0.040
  426    HE1  PHE  61           HE1      PHE  61  -8.819 -10.094  -3.257
  427    HE2  PHE  61           HE2      PHE  61 -10.446  -6.527  -1.633
  428    HZ   PHE  61           HZ       PHE  61 -10.545  -8.354  -3.262
  429    H    LEU  62           HN       LEU  62  -4.652  -7.519   1.377
  430    HA   LEU  62           HA       LEU  62  -2.531  -7.777   2.061
  431   1HB   LEU  62          2HB       LEU  62  -4.328  -7.132   4.215
  432   2HB   LEU  62          3HB       LEU  62  -2.942  -8.003   4.841
  433    HG   LEU  62           HG       LEU  62  -1.491  -6.329   3.548
  434   1HD1  LEU  62          1HD1      LEU  62  -3.919  -5.517   2.500
  435   2HD1  LEU  62          2HD1      LEU  62  -3.544  -4.258   3.701
  436   3HD1  LEU  62          3HD1      LEU  62  -2.378  -4.631   2.409
  437   1HD2  LEU  62          1HD2      LEU  62  -1.370  -4.897   5.389
  438   2HD2  LEU  62          2HD2      LEU  62  -3.108  -5.044   5.743
  439   3HD2  LEU  62          3HD2      LEU  62  -2.016  -6.412   6.063
  440    H    SER  63           HN       SER  63  -1.896  -9.771   1.141
  441    HA   SER  63           HA       SER  63  -2.524 -12.234   1.847
  442   1HB   SER  63          2HB       SER  63  -0.336 -10.970   0.511
  443   2HB   SER  63          3HB       SER  63   0.368 -12.153   1.596
  444    HG   SER  63           HG       SER  63  -1.880 -13.091   0.191
  445    H    ILE  64           HN       ILE  64  -2.136 -13.717   3.521
  446    HA   ILE  64           HA       ILE  64  -1.439 -12.661   6.027
  447    HB   ILE  64           HB       ILE  64  -2.999 -14.453   5.830
  448   1HG1  ILE  64          2HG1      ILE  64  -1.855 -16.183   7.356
  449   2HG1  ILE  64          3HG1      ILE  64  -0.431 -15.166   7.253
  450   1HG2  ILE  64          1HG2      ILE  64  -2.745 -15.973   4.231
  451   2HG2  ILE  64          2HG2      ILE  64  -1.023 -15.570   4.031
  452   3HG2  ILE  64          3HG2      ILE  64  -1.523 -16.759   5.258
  453   1HD1  ILE  64          1HD1      ILE  64  -2.622 -14.832   9.002
  454   2HD1  ILE  64          2HD1      ILE  64  -1.295 -13.677   8.727
  455   3HD1  ILE  64          3HD1      ILE  64  -2.802 -13.541   7.790
  456    H    ARG  65           HN       ARG  65   0.608 -11.692   5.999
  457    HA   ARG  65           HA       ARG  65   2.751 -13.642   5.778
  458   1HB   ARG  65          2HB       ARG  65   2.428 -11.024   4.369
  459   2HB   ARG  65          3HB       ARG  65   4.014 -11.290   5.063
  460   1HG   ARG  65          2HG       ARG  65   2.741 -13.519   3.464
  461   2HG   ARG  65          3HG       ARG  65   3.430 -12.157   2.603
  462   1HD   ARG  65          2HD       ARG  65   5.235 -13.116   4.725
  463   2HD   ARG  65          3HD       ARG  65   4.835 -14.394   3.594
  464    HE   ARG  65           HE       ARG  65   5.410 -12.287   1.915
  465   1HH1  ARG  65          1HH1      ARG  65   8.898 -12.196   1.984
  466   2HH1  ARG  65          2HH1      ARG  65   7.477 -11.755   1.098
  467   1HH2  ARG  65          1HH2      ARG  65   8.703 -13.328   4.001
  468   2HH2  ARG  65          2HH2      ARG  65   7.136 -13.731   4.620
  469    H    VAL  66           HN       VAL  66   1.558 -10.479   7.041
  470    HA   VAL  66           HA       VAL  66   1.923  -9.410   8.940
  471    HB   VAL  66           HB       VAL  66   3.075 -12.066   9.814
  472   1HG1  VAL  66          1HG1      VAL  66   3.364  -9.594  11.093
  473   2HG1  VAL  66          2HG1      VAL  66   2.015 -10.388  11.940
  474   3HG1  VAL  66          3HG1      VAL  66   3.590 -11.206  11.811
  475   1HG2  VAL  66          1HG2      VAL  66   0.641 -11.590  11.107
  476   2HG2  VAL  66          2HG2      VAL  66   0.365 -11.078   9.425
  477   3HG2  VAL  66          3HG2      VAL  66   0.939 -12.727   9.770
  478    H    TYR  67           HN       TYR  67   3.442  -7.907   9.607
  479    HA   TYR  67           HA       TYR  67   6.240  -8.514   9.434
  480   1HB   TYR  67          2HB       TYR  67   4.656  -7.217   7.283
  481   2HB   TYR  67          3HB       TYR  67   5.902  -6.134   7.871
  482    HD1  TYR  67           HD1      TYR  67   8.319  -7.282   8.118
  483    HD2  TYR  67           HD2      TYR  67   5.193  -8.652   5.538
  484    HE1  TYR  67           HE1      TYR  67  10.031  -8.473   6.664
  485    HE2  TYR  67           HE2      TYR  67   6.915  -9.838   4.093
  486    HH   TYR  67           HH       TYR  67   9.000 -10.279   3.779
  487    H    LEU  68           HN       LEU  68   4.042  -5.619   9.222
  488    HA   LEU  68           HA       LEU  68   5.495  -3.894  10.697
  489   1HB   LEU  68          2HB       LEU  68   2.500  -4.272  10.657
  490   2HB   LEU  68          3HB       LEU  68   3.308  -2.872  11.334
  491    HG   LEU  68           HG       LEU  68   3.801  -3.671   8.473
  492   1HD1  LEU  68          1HD1      LEU  68   1.480  -1.986   9.454
  493   2HD1  LEU  68          2HD1      LEU  68   1.964  -2.219   7.757
  494   3HD1  LEU  68          3HD1      LEU  68   1.373  -3.600   8.711
  495   1HD2  LEU  68          1HD2      LEU  68   3.977  -1.088   8.350
  496   2HD2  LEU  68          2HD2      LEU  68   4.114  -1.175  10.122
  497   3HD2  LEU  68          3HD2      LEU  68   5.301  -2.014   9.096
  498    H    GLY  69           HN       GLY  69   6.299  -3.802  12.726
  499   1HA   GLY  69          1HA       GLY  69   6.829  -4.629  14.778
  500   2HA   GLY  69          2HA       GLY  69   5.150  -4.236  15.088
  501    H    ALA  70           HN       ALA  70   6.783  -6.856  13.158
  502    HA   ALA  70           HA       ALA  70   5.292  -8.783  14.805
  503   1HB   ALA  70          1HB       ALA  70   4.384  -9.682  12.950
  504   2HB   ALA  70          2HB       ALA  70   4.951  -8.239  12.075
  505   3HB   ALA  70          3HB       ALA  70   5.955  -9.708  12.113
  506    H    GLU  71           HN       GLU  71   7.991  -8.640  12.364
  507    HA   GLU  71           HA       GLU  71   9.408 -10.514  14.060
  508   1HB   GLU  71          2HB       GLU  71   9.019 -10.567  11.373
  509   2HB   GLU  71          3HB       GLU  71  10.521  -9.665  11.409
  510   1HG   GLU  71          2HG       GLU  71  11.156 -11.977  11.271
  511   2HG   GLU  71          3HG       GLU  71  11.477 -11.497  12.926
  512    H    THR  72           HN       THR  72  10.066  -7.489  12.141
  513    HA   THR  72           HA       THR  72  11.780  -6.030  12.346
  514    HB   THR  72           HB       THR  72  11.533  -4.803  14.568
  515    HG1  THR  72           1HG      THR  72  10.670  -6.067  16.168
  516   1HG2  THR  72          1HG2      THR  72   9.434  -5.349  12.623
  517   2HG2  THR  72          2HG2      THR  72   8.718  -5.237  14.249
  518   3HG2  THR  72          3HG2      THR  72   9.678  -3.883  13.603
  519    H    THR  73           HN       THR  73  12.962  -8.472  12.280
  520    HA   THR  73           HA       THR  73  14.915  -8.326  14.483
  521    HB   THR  73           HB       THR  73  13.863 -10.641  12.781
  522    HG1  THR  73           1HG      THR  73  12.834  -9.661  14.838
  523   1HG2  THR  73          1HG2      THR  73  15.364 -12.067  14.200
  524   2HG2  THR  73          2HG2      THR  73  16.306 -10.983  13.147
  525   3HG2  THR  73          3HG2      THR  73  16.104 -10.594  14.873
  526    H    ARG  74           HN       ARG  74  14.593  -9.113  10.956
  527    HA   ARG  74           HA       ARG  74  17.322  -8.126  10.727
  528   1HB   ARG  74          2HB       ARG  74  17.496  -9.528   8.677
  529   2HB   ARG  74          3HB       ARG  74  17.070 -10.506  10.067
  530   1HG   ARG  74          2HG       ARG  74  14.774  -9.365   8.511
  531   2HG   ARG  74          3HG       ARG  74  15.717 -10.596   7.695
  532   1HD   ARG  74          2HD       ARG  74  14.734 -11.028  10.542
  533   2HD   ARG  74          3HD       ARG  74  13.688 -11.355   9.175
  534    HE   ARG  74           HE       ARG  74  16.376 -12.593   9.065
  535   1HH1  ARG  74          1HH1      ARG  74  15.005 -15.796   9.254
  536   2HH1  ARG  74          2HH1      ARG  74  16.442 -14.875   8.964
  537   1HH2  ARG  74          1HH2      ARG  74  13.011 -14.713   9.743
  538   2HH2  ARG  74          2HH2      ARG  74  12.961 -12.984   9.819
  539    H    SER  75           HN       SER  75  13.960  -7.732   9.836
  540    HA   SER  75           HA       SER  75  14.729  -5.891   7.718
  541   1HB   SER  75          2HB       SER  75  13.021  -7.812   7.344
  542   2HB   SER  75          3HB       SER  75  11.912  -6.866   8.317
  543    HG   SER  75           HG       SER  75  11.671  -5.411   6.725
  544    H    MET  76           HN       MET  76  14.819  -5.510  10.768
  545    HA   MET  76           HA       MET  76  12.871  -4.134  11.872
  546   1HB   MET  76          2HB       MET  76  15.776  -4.199  12.035
  547   2HB   MET  76          3HB       MET  76  15.259  -2.539  12.259
  548   1HG   MET  76          2HG       MET  76  13.831  -4.750  13.764
  549   2HG   MET  76          3HG       MET  76  15.386  -4.186  14.342
  550   1HE   MET  76          1HE       MET  76  14.293  -2.793  16.788
  551   2HE   MET  76          2HE       MET  76  15.736  -2.691  15.751
  552   3HE   MET  76          3HE       MET  76  14.839  -1.213  16.177
  553    H    GLY  77           HN       GLY  77  15.401  -2.478   9.836
  554   1HA   GLY  77          1HA       GLY  77  13.534  -0.914   8.410
  555   2HA   GLY  77          2HA       GLY  77  14.151   0.014   9.762
  556    H    LEU  78           HN       LEU  78  16.815  -1.180   9.890
  557    HA   LEU  78           HA       LEU  78  17.893  -0.144   7.359
  558   1HB   LEU  78          2HB       LEU  78  18.660   1.425   8.778
  559   2HB   LEU  78          3HB       LEU  78  18.555   0.385  10.184
  560    HG   LEU  78           HG       LEU  78  20.872   1.162   9.464
  561   1HD1  LEU  78          1HD1      LEU  78  21.432  -1.609   9.549
  562   2HD1  LEU  78          2HD1      LEU  78  21.436  -0.438  10.890
  563   3HD1  LEU  78          3HD1      LEU  78  19.955  -1.349  10.508
  564   1HD2  LEU  78          1HD2      LEU  78  20.050  -0.105   7.025
  565   2HD2  LEU  78          2HD2      LEU  78  21.535   0.810   7.378
  566   3HD2  LEU  78          3HD2      LEU  78  21.479  -0.944   7.674
  567    H    ALA  79           HN       ALA  79  18.244  -2.538  10.035
  568    HA   ALA  79           HA       ALA  79  20.414  -3.922   9.248
  569   1HB   ALA  79          1HB       ALA  79  18.078  -4.353  10.855
  570   2HB   ALA  79          2HB       ALA  79  18.381  -5.830   9.908
  571   3HB   ALA  79          3HB       ALA  79  19.658  -5.166  10.956
  572    H    TYR  80           HN       TYR  80  17.260  -3.730   7.624
  573    HA   TYR  80           HA       TYR  80  17.656  -5.980   5.949
  574   1HB   TYR  80          2HB       TYR  80  15.556  -5.224   5.123
  575   2HB   TYR  80          3HB       TYR  80  15.574  -4.403   6.671
  576    HD1  TYR  80           HD1      TYR  80  17.144  -2.067   6.414
  577    HD2  TYR  80           HD2      TYR  80  14.687  -3.907   3.434
  578    HE1  TYR  80           HE1      TYR  80  16.900   0.167   5.225
  579    HE2  TYR  80           HE2      TYR  80  14.452  -1.667   2.255
  580    HH   TYR  80           HH       TYR  80  15.699   1.275   3.709
  Start of MODEL    2
    1    H    SER   1           HN       SER   1  -4.025  -1.237  13.250
    2    HA   SER   1           HA       SER   1  -1.748  -2.093  13.154
    3   1HB   SER   1          2HB       SER   1  -4.030  -3.439  14.508
    4   2HB   SER   1          3HB       SER   1  -2.566  -4.398  14.431
    5    HG   SER   1           HG       SER   1  -1.591  -3.093  15.841
    6    H    HIS   2           HN       HIS   2  -1.882  -2.433  10.577
    7    HA   HIS   2           HA       HIS   2  -1.242  -5.218  10.195
    8   1HB   HIS   2          2HB       HIS   2  -3.151  -4.016   8.215
    9   2HB   HIS   2          3HB       HIS   2  -2.773  -5.701   8.513
   10    HD1  HIS   2           HD1      HIS   2  -3.719  -6.678  10.906
   11    HD2  HIS   2           HD2      HIS   2  -5.408  -3.108   9.493
   12    HE1  HIS   2           HE1      HIS   2  -5.916  -6.379  12.168
   13    H    SER   3           HN       SER   3   0.379  -5.496   8.654
   14    HA   SER   3           HA       SER   3   1.802  -3.196   7.980
   15   1HB   SER   3          2HB       SER   3   3.388  -4.677   6.995
   16   2HB   SER   3          3HB       SER   3   2.691  -5.578   8.326
   17    HG   SER   3           HG       SER   3   2.048  -7.055   6.930
   18    H    VAL   4           HN       VAL   4   2.593  -2.921   5.525
   19    HA   VAL   4           HA       VAL   4   0.214  -3.119   3.811
   20    HB   VAL   4           HB       VAL   4   2.167  -0.823   4.059
   21   1HG1  VAL   4          1HG1      VAL   4   0.218  -1.578   1.969
   22   2HG1  VAL   4          2HG1      VAL   4   0.098   0.105   2.536
   23   3HG1  VAL   4          3HG1      VAL   4   1.638  -0.507   1.887
   24   1HG2  VAL   4          1HG2      VAL   4  -0.774  -0.523   4.511
   25   2HG2  VAL   4          2HG2      VAL   4   0.197  -1.288   5.791
   26   3HG2  VAL   4          3HG2      VAL   4   0.594   0.356   5.236
   27    H    LYS   5           HN       LYS   5   2.143  -5.155   3.952
   28    HA   LYS   5           HA       LYS   5   4.374  -5.026   2.472
   29   1HB   LYS   5          2HB       LYS   5   2.370  -7.099   3.078
   30   2HB   LYS   5          3HB       LYS   5   3.305  -7.418   1.631
   31   1HG   LYS   5          2HG       LYS   5   5.349  -6.655   3.214
   32   2HG   LYS   5          3HG       LYS   5   4.247  -7.152   4.483
   33   1HD   LYS   5          2HD       LYS   5   5.562  -9.095   3.924
   34   2HD   LYS   5          3HD       LYS   5   3.962  -9.375   3.267
   35   1HE   LYS   5          2HE       LYS   5   4.724  -9.391   1.112
   36   2HE   LYS   5          3HE       LYS   5   5.701  -7.956   1.353
   37   1HZ   LYS   5          1HZ       LYS   5   6.889  -9.971   2.796
   38   2HZ   LYS   5          2HZ       LYS   5   6.515 -10.626   1.348
   39   3HZ   LYS   5          3HZ       LYS   5   7.438  -9.282   1.421
   40    H    ILE   6           HN       ILE   6   4.851  -5.646   0.175
   41    HA   ILE   6           HA       ILE   6   3.394  -3.949  -1.550
   42    HB   ILE   6           HB       ILE   6   5.555  -5.997  -2.046
   43   1HG1  ILE   6          2HG1      ILE   6   6.642  -3.530  -2.486
   44   2HG1  ILE   6          3HG1      ILE   6   5.519  -3.166  -1.191
   45   1HG2  ILE   6          1HG2      ILE   6   5.647  -5.463  -4.252
   46   2HG2  ILE   6          2HG2      ILE   6   3.903  -5.225  -3.991
   47   3HG2  ILE   6          3HG2      ILE   6   5.000  -3.824  -4.005
   48   1HD1  ILE   6          1HD1      ILE   6   7.918  -3.960  -0.545
   49   2HD1  ILE   6          2HD1      ILE   6   6.542  -4.697   0.309
   50   3HD1  ILE   6          3HD1      ILE   6   7.349  -5.582  -1.007
   51    H    TYR   7           HN       TYR   7   1.206  -4.879  -1.104
   52    HA   TYR   7           HA       TYR   7   0.772  -7.278  -2.752
   53   1HB   TYR   7          2HB       TYR   7  -0.448  -6.089  -0.205
   54   2HB   TYR   7          3HB       TYR   7  -1.404  -7.192  -1.176
   55    HD1  TYR   7           HD1      TYR   7   0.056  -9.420  -1.884
   56    HD2  TYR   7           HD2      TYR   7   0.607  -7.032   1.623
   57    HE1  TYR   7           HE1      TYR   7   1.142 -11.392  -0.703
   58    HE2  TYR   7           HE2      TYR   7   1.691  -9.012   2.793
   59    HH   TYR   7           HH       TYR   7   1.813 -11.313   2.691
   60    H    ASP   8           HN       ASP   8  -1.429  -7.362  -3.805
   61    HA   ASP   8           HA       ASP   8  -1.910  -4.783  -4.967
   62   1HB   ASP   8          2HB       ASP   8  -3.402  -6.075  -6.515
   63   2HB   ASP   8          3HB       ASP   8  -1.763  -6.694  -6.474
   64    H    THR   9           HN       THR   9  -2.668  -4.917  -2.220
   65    HA   THR   9           HA       THR   9  -5.527  -5.471  -2.167
   66    HB   THR   9           HB       THR   9  -4.018  -6.255  -0.326
   67    HG1  THR   9           1HG      THR   9  -6.123  -5.744   0.367
   68   1HG2  THR   9          1HG2      THR   9  -2.538  -4.053  -0.527
   69   2HG2  THR   9          2HG2      THR   9  -3.779  -3.356   0.543
   70   3HG2  THR   9          3HG2      THR   9  -2.830  -4.764   1.079
   71    H    CYS  10           HN       CYS  10  -6.520  -3.917  -3.430
   72    HA   CYS  10           HA       CYS  10  -6.750  -1.378  -2.144
   73   1HB   CYS  10          2HB       CYS  10  -4.673  -1.199  -3.655
   74   2HB   CYS  10          3HB       CYS  10  -5.781  -1.299  -5.009
   75    H    ILE  11           HN       ILE  11  -8.824  -0.547  -2.576
   76    HA   ILE  11           HA       ILE  11 -10.341  -2.006  -4.628
   77    HB   ILE  11           HB       ILE  11 -12.311  -1.701  -3.216
   78   1HG1  ILE  11          2HG1      ILE  11 -11.487  -1.168  -0.679
   79   2HG1  ILE  11          3HG1      ILE  11 -10.415  -0.115  -1.580
   80   1HG2  ILE  11          1HG2      ILE  11 -11.403  -3.814  -2.966
   81   2HG2  ILE  11          2HG2      ILE  11  -9.926  -3.208  -2.179
   82   3HG2  ILE  11          3HG2      ILE  11 -11.466  -3.227  -1.287
   83   1HD1  ILE  11          1HD1      ILE  11 -12.660   0.911  -0.913
   84   2HD1  ILE  11          2HD1      ILE  11 -12.259   1.026  -2.643
   85   3HD1  ILE  11          3HD1      ILE  11 -13.420  -0.199  -2.078
   86    H    GLY  12           HN       GLY  12  -9.441   1.085  -3.130
   87   1HA   GLY  12          1HA       GLY  12  -9.363   2.865  -4.890
   88   2HA   GLY  12          2HA       GLY  12 -11.050   2.486  -5.179
   89    H    CYS  13           HN       CYS  13  -9.300   2.589  -2.014
   90    HA   CYS  13           HA       CYS  13 -11.231   4.625  -1.193
   91   1HB   CYS  13          2HB       CYS  13 -11.388   3.622   0.815
   92   2HB   CYS  13          3HB       CYS  13 -10.722   2.225  -0.006
   93    H    THR  14           HN       THR  14 -10.111   6.012   0.756
   94    HA   THR  14           HA       THR  14  -7.495   6.875  -0.294
   95    HB   THR  14           HB       THR  14  -8.211   9.150   0.462
   96    HG1  THR  14           1HG      THR  14 -10.610   9.121   1.098
   97   1HG2  THR  14          1HG2      THR  14  -9.044   8.096  -1.836
   98   2HG2  THR  14          2HG2      THR  14 -10.621   8.043  -1.011
   99   3HG2  THR  14          3HG2      THR  14  -9.790   9.600  -1.243
  100    H    GLN  15           HN       GLN  15  -6.843   4.964   1.183
  101    HA   GLN  15           HA       GLN  15  -6.049   6.209   3.643
  102   1HB   GLN  15          2HB       GLN  15  -7.144   4.843   5.126
  103   2HB   GLN  15          3HB       GLN  15  -8.311   4.738   3.823
  104   1HG   GLN  15          2HG       GLN  15  -7.137   2.672   2.976
  105   2HG   GLN  15          3HG       GLN  15  -6.038   2.762   4.338
  106   1HE2  GLN  15          1HE2      GLN  15  -6.989   0.551   4.563
  107   2HE2  GLN  15          2HE2      GLN  15  -8.395   0.361   5.556
  108    H    CYS  16           HN       CYS  16  -4.083   5.327   4.483
  109    HA   CYS  16           HA       CYS  16  -2.356   3.893   4.587
  110   1HB   CYS  16          2HB       CYS  16  -2.322   1.849   3.607
  111   2HB   CYS  16          3HB       CYS  16  -4.016   2.198   3.324
  112    H    VAL  17           HN       VAL  17  -3.488   5.243   1.451
  113    HA   VAL  17           HA       VAL  17  -0.763   5.708   0.591
  114    HB   VAL  17           HB       VAL  17  -3.317   6.604  -0.736
  115   1HG1  VAL  17          1HG1      VAL  17  -0.460   6.203  -1.590
  116   2HG1  VAL  17          2HG1      VAL  17  -1.776   6.059  -2.780
  117   3HG1  VAL  17          3HG1      VAL  17  -1.551   7.579  -1.882
  118   1HG2  VAL  17          1HG2      VAL  17  -2.031   3.865  -0.735
  119   2HG2  VAL  17          2HG2      VAL  17  -3.722   4.300  -0.394
  120   3HG2  VAL  17          3HG2      VAL  17  -3.090   4.422  -2.053
  121    H    ARG  18           HN       ARG  18  -2.399   7.027   2.995
  122    HA   ARG  18           HA       ARG  18  -1.678   9.734   2.199
  123   1HB   ARG  18          2HB       ARG  18  -4.129   8.661   3.391
  124   2HB   ARG  18          3HB       ARG  18  -3.427   9.869   4.449
  125   1HG   ARG  18          2HG       ARG  18  -4.804  11.147   3.006
  126   2HG   ARG  18          3HG       ARG  18  -3.203  11.360   2.326
  127   1HD   ARG  18          2HD       ARG  18  -4.193   9.003   1.097
  128   2HD   ARG  18          3HD       ARG  18  -5.563  10.094   1.130
  129    HE   ARG  18           HE       ARG  18  -3.037  11.310   0.213
  130   1HH1  ARG  18          1HH1      ARG  18  -4.249  11.669  -3.040
  131   2HH1  ARG  18          2HH1      ARG  18  -2.985  12.092  -1.933
  132   1HH2  ARG  18          1HH2      ARG  18  -5.994  10.307  -2.342
  133   2HH2  ARG  18          2HH2      ARG  18  -6.032   9.714  -0.714
  134    H    ALA  19           HN       ALA  19  -2.162   7.552   5.078
  135    HA   ALA  19           HA       ALA  19  -0.496   9.112   6.754
  136   1HB   ALA  19          1HB       ALA  19  -2.277   6.888   6.949
  137   2HB   ALA  19          2HB       ALA  19  -0.715   6.382   7.634
  138   3HB   ALA  19          3HB       ALA  19  -1.540   7.827   8.269
  139    H    CYS  20           HN       CYS  20   1.531   9.459   5.782
  140    HA   CYS  20           HA       CYS  20   3.456   7.540   6.254
  141   1HB   CYS  20          2HB       CYS  20   2.534   6.253   4.405
  142   2HB   CYS  20          3HB       CYS  20   2.614   7.641   3.339
  143    HA   PRO  21           HA       PRO  21   4.995  11.679   5.694
  144   1HB   PRO  21          2HB       PRO  21   6.955  11.545   7.593
  145   2HB   PRO  21          3HB       PRO  21   5.314  12.049   7.944
  146   1HG   PRO  21          2HG       PRO  21   6.636   9.480   8.565
  147   2HG   PRO  21          3HG       PRO  21   5.179  10.160   9.260
  148   1HD   PRO  21          2HD       PRO  21   5.333   8.061   7.311
  149   2HD   PRO  21          3HD       PRO  21   3.876   8.821   7.920
  150    H    LEU  22           HN       LEU  22   7.266   9.027   6.254
  151    HA   LEU  22           HA       LEU  22   9.379  10.064   4.885
  152   1HB   LEU  22          2HB       LEU  22   8.416   7.377   5.619
  153   2HB   LEU  22          3HB       LEU  22   9.556   7.415   4.288
  154    HG   LEU  22           HG       LEU  22  10.534   9.103   6.405
  155   1HD1  LEU  22          1HD1      LEU  22  10.526   6.360   7.484
  156   2HD1  LEU  22          2HD1      LEU  22  10.372   7.929   8.310
  157   3HD1  LEU  22          3HD1      LEU  22   8.952   7.191   7.531
  158   1HD2  LEU  22          1HD2      LEU  22  12.176   6.878   6.249
  159   2HD2  LEU  22          2HD2      LEU  22  11.439   6.970   4.632
  160   3HD2  LEU  22          3HD2      LEU  22  12.318   8.371   5.291
  161    H    ASP  23           HN       ASP  23   6.281   8.977   3.646
  162    HA   ASP  23           HA       ASP  23   5.407   9.049   1.663
  163   1HB   ASP  23          2HB       ASP  23   6.597  11.269   1.475
  164   2HB   ASP  23          3HB       ASP  23   7.967  10.448   0.756
  165    H    VAL  24           HN       VAL  24   5.913   6.617   1.830
  166    HA   VAL  24           HA       VAL  24   7.889   5.855  -0.210
  167    HB   VAL  24           HB       VAL  24   8.639   5.167   1.956
  168   1HG1  VAL  24          1HG1      VAL  24   7.085   3.402   3.165
  169   2HG1  VAL  24          2HG1      VAL  24   6.872   5.149   3.434
  170   3HG1  VAL  24          3HG1      VAL  24   5.795   4.283   2.311
  171   1HG2  VAL  24          1HG2      VAL  24   9.075   2.926   1.508
  172   2HG2  VAL  24          2HG2      VAL  24   7.452   2.635   0.836
  173   3HG2  VAL  24          3HG2      VAL  24   8.650   3.562  -0.100
  174    H    LEU  25           HN       LEU  25   4.638   5.397   1.222
  175    HA   LEU  25           HA       LEU  25   3.873   3.317  -0.518
  176   1HB   LEU  25          2HB       LEU  25   2.594   5.107   1.457
  177   2HB   LEU  25          3HB       LEU  25   1.537   4.466   0.215
  178    HG   LEU  25           HG       LEU  25   3.076   2.279   1.163
  179   1HD1  LEU  25          1HD1      LEU  25   1.960   3.971   3.415
  180   2HD1  LEU  25          2HD1      LEU  25   2.480   2.275   3.566
  181   3HD1  LEU  25          3HD1      LEU  25   3.663   3.535   3.140
  182   1HD2  LEU  25          1HD2      LEU  25   1.077   1.290   1.099
  183   2HD2  LEU  25          2HD2      LEU  25   0.354   2.474   2.215
  184   3HD2  LEU  25          3HD2      LEU  25   0.464   2.840   0.477
  185    H    GLU  26           HN       GLU  26   3.916   3.516  -2.697
  186    HA   GLU  26           HA       GLU  26   2.615   5.892  -3.759
  187   1HB   GLU  26          2HB       GLU  26   5.146   4.639  -4.909
  188   2HB   GLU  26          3HB       GLU  26   4.295   6.022  -5.567
  189   1HG   GLU  26          2HG       GLU  26   4.672   7.194  -3.311
  190   2HG   GLU  26          3HG       GLU  26   5.721   5.859  -2.873
  191    H    MET  27           HN       MET  27   2.819   5.202  -6.514
  192    HA   MET  27           HA       MET  27   0.947   3.021  -6.526
  193   1HB   MET  27          2HB       MET  27   0.723   3.734  -8.980
  194   2HB   MET  27          3HB       MET  27   0.363   5.005  -7.829
  195   1HG   MET  27          2HG       MET  27   2.137   6.283  -8.508
  196   2HG   MET  27          3HG       MET  27   3.234   4.917  -8.517
  197   1HE   MET  27          1HE       MET  27   3.903   3.632 -11.047
  198   2HE   MET  27          2HE       MET  27   2.613   2.915 -10.051
  199   3HE   MET  27          3HE       MET  27   2.375   3.121 -11.803
  200    H    VAL  28           HN       VAL  28   1.271   0.997  -7.477
  201    HA   VAL  28           HA       VAL  28   3.945   0.572  -8.620
  202    HB   VAL  28           HB       VAL  28   4.225  -1.344  -7.422
  203   1HG1  VAL  28          1HG1      VAL  28   4.231   0.436  -5.804
  204   2HG1  VAL  28          2HG1      VAL  28   2.458   0.377  -5.654
  205   3HG1  VAL  28          3HG1      VAL  28   3.447  -0.981  -5.065
  206   1HG2  VAL  28          1HG2      VAL  28   1.304  -1.613  -7.723
  207   2HG2  VAL  28          2HG2      VAL  28   2.581  -2.852  -7.739
  208   3HG2  VAL  28          3HG2      VAL  28   1.948  -2.248  -6.191
  209    HA   PRO  29           HA       PRO  29   1.968  -1.354 -11.954
  210   1HB   PRO  29          2HB       PRO  29   3.381  -3.637 -12.463
  211   2HB   PRO  29          3HB       PRO  29   3.937  -2.042 -12.930
  212   1HG   PRO  29          2HG       PRO  29   4.877  -3.757 -10.714
  213   2HG   PRO  29          3HG       PRO  29   5.676  -2.385 -11.455
  214   1HD   PRO  29          2HD       PRO  29   4.317  -2.421  -8.929
  215   2HD   PRO  29          3HD       PRO  29   5.015  -1.024  -9.723
  216    H    TRP  30           HN       TRP  30  -0.112  -1.906 -11.853
  217    HA   TRP  30           HA       TRP  30  -0.576  -4.594 -10.781
  218   1HB   TRP  30          2HB       TRP  30  -1.099  -3.007  -9.003
  219   2HB   TRP  30          3HB       TRP  30  -2.164  -2.119 -10.076
  220    HD1  TRP  30           HD1      TRP  30  -4.644  -2.710  -9.555
  221    HE1  TRP  30           HE1      TRP  30  -6.076  -4.792  -8.795
  222    HE3  TRP  30           HE3      TRP  30  -0.735  -5.945  -9.237
  223    HZ2  TRP  30           HZ2      TRP  30  -5.428  -7.497  -8.160
  224    HZ3  TRP  30           HZ3      TRP  30  -1.220  -8.287  -8.539
  225    HH2  TRP  30           HH2      TRP  30  -3.470  -9.081  -8.010
  226    H    ASP  31           HN       ASP  31  -3.074  -5.117 -11.398
  227    HA   ASP  31           HA       ASP  31  -3.646  -3.937 -13.977
  228   1HB   ASP  31          2HB       ASP  31  -2.299  -6.256 -13.987
  229   2HB   ASP  31          3HB       ASP  31  -3.882  -6.935 -13.662
  230    H    GLY  32           HN       GLY  32  -5.157  -3.117 -11.986
  231   1HA   GLY  32          1HA       GLY  32  -7.665  -4.555 -12.264
  232   2HA   GLY  32          2HA       GLY  32  -7.001  -4.509 -10.643
  233    H    CYS  33           HN       CYS  33  -5.681  -1.861 -10.958
  234    HA   CYS  33           HA       CYS  33  -7.909  -0.283 -10.232
  235   1HB   CYS  33          2HB       CYS  33  -5.155  -0.176  -9.811
  236   2HB   CYS  33          3HB       CYS  33  -5.467   1.213 -10.833
  237    HG   CYS  33           HG       CYS  33  -7.539   0.462  -8.402
  238    H    LYS  34           HN       LYS  34  -8.129   2.026 -11.339
  239    HA   LYS  34           HA       LYS  34  -8.932   1.579 -13.986
  240   1HB   LYS  34          2HB       LYS  34  -9.447   3.446 -12.031
  241   2HB   LYS  34          3HB       LYS  34  -8.507   4.379 -13.180
  242   1HG   LYS  34          2HG       LYS  34 -10.271   2.852 -14.785
  243   2HG   LYS  34          3HG       LYS  34 -11.249   3.360 -13.422
  244   1HD   LYS  34          2HD       LYS  34 -11.461   5.137 -14.998
  245   2HD   LYS  34          3HD       LYS  34 -10.322   5.740 -13.811
  246   1HE   LYS  34          2HE       LYS  34  -8.633   5.865 -15.340
  247   2HE   LYS  34          3HE       LYS  34  -8.946   4.249 -15.939
  248   1HZ   LYS  34          1HZ       LYS  34  -9.378   6.300 -17.416
  249   2HZ   LYS  34          2HZ       LYS  34 -10.403   5.030 -17.478
  250   3HZ   LYS  34          3HZ       LYS  34 -10.810   6.367 -16.634
  251    H    ALA  35           HN       ALA  35  -5.875   2.513 -12.516
  252    HA   ALA  35           HA       ALA  35  -4.831   3.043 -15.215
  253   1HB   ALA  35          1HB       ALA  35  -3.814   4.072 -12.535
  254   2HB   ALA  35          2HB       ALA  35  -3.168   4.480 -14.142
  255   3HB   ALA  35          3HB       ALA  35  -4.803   5.009 -13.680
  256    H    GLY  36           HN       GLY  36  -5.300   0.427 -13.815
  257   1HA   GLY  36          1HA       GLY  36  -4.179  -1.438 -13.174
  258   2HA   GLY  36          2HA       GLY  36  -3.193  -1.042 -14.568
  259    H    GLN  37           HN       GLN  37  -3.545   0.507 -11.295
  260    HA   GLN  37           HA       GLN  37  -0.850  -0.284 -10.692
  261   1HB   GLN  37          2HB       GLN  37  -0.219   2.111 -10.104
  262   2HB   GLN  37          3HB       GLN  37  -0.344   1.774 -11.819
  263   1HG   GLN  37          2HG       GLN  37  -1.848   3.457 -12.005
  264   2HG   GLN  37          3HG       GLN  37  -2.966   2.531 -11.023
  265   1HE2  GLN  37          1HE2      GLN  37  -3.457   3.174  -9.034
  266   2HE2  GLN  37          2HE2      GLN  37  -2.751   4.512  -8.190
  267    H    ILE  38           HN       ILE  38  -0.879  -1.008  -8.610
  268    HA   ILE  38           HA       ILE  38  -3.077  -0.110  -6.922
  269    HB   ILE  38           HB       ILE  38  -2.260  -2.577  -7.454
  270   1HG1  ILE  38          2HG1      ILE  38  -2.994  -2.660  -4.704
  271   2HG1  ILE  38          3HG1      ILE  38  -3.828  -1.295  -5.420
  272   1HG2  ILE  38          1HG2      ILE  38  -0.001  -1.783  -6.257
  273   2HG2  ILE  38          2HG2      ILE  38  -0.898  -2.336  -4.822
  274   3HG2  ILE  38          3HG2      ILE  38  -0.607  -3.454  -6.176
  275   1HD1  ILE  38          1HD1      ILE  38  -5.106  -3.457  -5.611
  276   2HD1  ILE  38          2HD1      ILE  38  -4.765  -2.706  -7.188
  277   3HD1  ILE  38          3HD1      ILE  38  -3.798  -4.095  -6.637
  278    H    ALA  39           HN       ALA  39  -2.793   0.999  -4.990
  279    HA   ALA  39           HA       ALA  39  -0.382   2.485  -4.779
  280   1HB   ALA  39          1HB       ALA  39  -1.826   2.843  -2.422
  281   2HB   ALA  39          2HB       ALA  39  -1.988   3.811  -3.907
  282   3HB   ALA  39          3HB       ALA  39  -3.079   2.434  -3.619
  283    H    SER  40           HN       SER  40   1.457   1.354  -4.256
  284    HA   SER  40           HA       SER  40   1.587   0.344  -1.618
  285   1HB   SER  40          2HB       SER  40   1.601  -1.563  -3.969
  286   2HB   SER  40          3HB       SER  40   2.557  -1.934  -2.547
  287    HG   SER  40           HG       SER  40   0.757  -2.671  -1.671
  288    H    SER  41           HN       SER  41   3.980  -0.819  -1.437
  289    HA   SER  41           HA       SER  41   5.741   1.219  -2.169
  290   1HB   SER  41          2HB       SER  41   5.788  -1.238  -0.594
  291   2HB   SER  41          3HB       SER  41   7.262  -1.094  -1.532
  292    HG   SER  41           HG       SER  41   7.458   1.130  -0.659
  293    HA   PRO  42           HA       PRO  42   6.615  -0.342  -6.183
  294   1HB   PRO  42          2HB       PRO  42   8.245   1.690  -7.010
  295   2HB   PRO  42          3HB       PRO  42   6.497   1.756  -7.126
  296   1HG   PRO  42          2HG       PRO  42   8.281   3.130  -5.210
  297   2HG   PRO  42          3HG       PRO  42   6.617   3.498  -5.620
  298   1HD   PRO  42          2HD       PRO  42   7.552   2.176  -3.251
  299   2HD   PRO  42          3HD       PRO  42   5.882   2.440  -3.714
  300    H    ARG  43           HN       ARG  43   9.307   1.031  -4.353
  301    HA   ARG  43           HA       ARG  43  10.679  -1.455  -4.899
  302   1HB   ARG  43          2HB       ARG  43  11.996   1.287  -5.233
  303   2HB   ARG  43          3HB       ARG  43  12.771  -0.264  -5.487
  304   1HG   ARG  43          2HG       ARG  43  10.432  -0.339  -7.098
  305   2HG   ARG  43          3HG       ARG  43  11.081   1.274  -7.316
  306   1HD   ARG  43          2HD       ARG  43  12.400   0.236  -8.894
  307   2HD   ARG  43          3HD       ARG  43  13.402  -0.145  -7.509
  308    HE   ARG  43           HE       ARG  43  11.486  -2.200  -7.627
  309   1HH1  ARG  43          1HH1      ARG  43  13.075  -4.326  -9.891
  310   2HH1  ARG  43          2HH1      ARG  43  11.872  -4.205  -8.653
  311   1HH2  ARG  43          1HH2      ARG  43  14.297  -2.452 -10.510
  312   2HH2  ARG  43          2HH2      ARG  43  14.004  -0.932  -9.732
  313    H    THR  44           HN       THR  44   9.340   0.346  -2.629
  314    HA   THR  44           HA       THR  44   9.772   0.987  -0.522
  315    HB   THR  44           HB       THR  44  11.243  -1.690  -0.746
  316    HG1  THR  44           1HG      THR  44   8.587  -0.662  -0.054
  317   1HG2  THR  44          1HG2      THR  44  10.915   0.134   1.533
  318   2HG2  THR  44          2HG2      THR  44  10.022  -1.383   1.797
  319   3HG2  THR  44          3HG2      THR  44  11.771  -1.425   1.466
  320    H    GLU  45           HN       GLU  45  11.749   1.892  -2.664
  321    HA   GLU  45           HA       GLU  45  14.297   1.871  -1.801
  322   1HB   GLU  45          2HB       GLU  45  14.531   4.084  -2.957
  323   2HB   GLU  45          3HB       GLU  45  13.655   2.901  -3.907
  324   1HG   GLU  45          2HG       GLU  45  11.546   3.934  -3.492
  325   2HG   GLU  45          3HG       GLU  45  12.143   4.811  -2.098
  326    H    ASP  46           HN       ASP  46  11.524   3.580  -0.401
  327    HA   ASP  46           HA       ASP  46  13.355   4.911   1.428
  328   1HB   ASP  46          2HB       ASP  46  10.885   5.691   0.110
  329   2HB   ASP  46          3HB       ASP  46  10.636   5.740   1.845
  330    H    CYS  47           HN       CYS  47  11.465   5.358   3.552
  331    HA   CYS  47           HA       CYS  47  10.360   4.410   5.217
  332   1HB   CYS  47          2HB       CYS  47   9.091   3.091   3.496
  333   2HB   CYS  47          3HB       CYS  47  10.274   1.808   3.657
  334    H    VAL  48           HN       VAL  48  11.413   3.894   7.120
  335    HA   VAL  48           HA       VAL  48  13.781   2.171   6.863
  336    HB   VAL  48           HB       VAL  48  14.424   4.431   7.314
  337   1HG1  VAL  48          1HG1      VAL  48  13.510   5.203   9.777
  338   2HG1  VAL  48          2HG1      VAL  48  12.830   5.741   8.223
  339   3HG1  VAL  48          3HG1      VAL  48  12.078   4.389   9.103
  340   1HG2  VAL  48          1HG2      VAL  48  14.954   2.255   9.077
  341   2HG2  VAL  48          2HG2      VAL  48  15.995   3.644   8.683
  342   3HG2  VAL  48          3HG2      VAL  48  14.866   3.739  10.056
  343    H    GLY  49           HN       GLY  49  10.797   2.994   8.631
  344   1HA   GLY  49          1HA       GLY  49   9.888   0.708   9.446
  345   2HA   GLY  49          2HA       GLY  49  11.276   0.787  10.513
  346    H    CYS  50           HN       CYS  50   8.658   3.040   9.348
  347    HA   CYS  50           HA       CYS  50   8.468   3.982  12.113
  348   1HB   CYS  50          2HB       CYS  50   8.287   6.079  11.352
  349   2HB   CYS  50          3HB       CYS  50   8.850   5.462   9.812
  350    H    LYS  51           HN       LYS  51   6.407   3.942  13.135
  351    HA   LYS  51           HA       LYS  51   4.507   2.165  11.861
  352   1HB   LYS  51          2HB       LYS  51   5.394   2.112  14.331
  353   2HB   LYS  51          3HB       LYS  51   4.183   3.348  14.606
  354   1HG   LYS  51          2HG       LYS  51   2.720   1.519  13.146
  355   2HG   LYS  51          3HG       LYS  51   3.828   0.451  13.987
  356   1HD   LYS  51          2HD       LYS  51   2.391   2.632  15.529
  357   2HD   LYS  51          3HD       LYS  51   1.543   1.150  15.134
  358   1HE   LYS  51          2HE       LYS  51   2.631   0.001  16.767
  359   2HE   LYS  51          3HE       LYS  51   4.197   0.516  16.171
  360   1HZ   LYS  51          1HZ       LYS  51   3.795   1.327  18.379
  361   2HZ   LYS  51          2HZ       LYS  51   3.891   2.591  17.349
  362   3HZ   LYS  51          3HZ       LYS  51   2.437   2.103  17.909
  363    H    ARG  52           HN       ARG  52   3.695   3.489  10.157
  364    HA   ARG  52           HA       ARG  52   1.612   5.182  11.064
  365   1HB   ARG  52          2HB       ARG  52   3.979   6.513  10.714
  366   2HB   ARG  52          3HB       ARG  52   3.375   6.577   9.071
  367   1HG   ARG  52          2HG       ARG  52   2.156   8.382   9.732
  368   2HG   ARG  52          3HG       ARG  52   1.108   7.241  10.551
  369   1HD   ARG  52          2HD       ARG  52   3.614   8.169  11.970
  370   2HD   ARG  52          3HD       ARG  52   2.248   9.263  11.885
  371    HE   ARG  52           HE       ARG  52   1.553   6.542  12.763
  372   1HH1  ARG  52          1HH1      ARG  52   0.924   7.597  16.030
  373   2HH1  ARG  52          2HH1      ARG  52   0.762   6.299  14.894
  374   1HH2  ARG  52          1HH2      ARG  52   1.944   9.580  15.389
  375   2HH2  ARG  52          2HH2      ARG  52   2.543   9.764  13.774
  376    H    CYS  53           HN       CYS  53   0.912   3.025   9.878
  377    HA   CYS  53           HA       CYS  53  -0.226   3.700   7.469
  378   1HB   CYS  53          2HB       CYS  53   1.074   2.163   5.921
  379   2HB   CYS  53          3HB       CYS  53   1.836   3.690   6.317
  380    H    GLU  54           HN       GLU  54  -1.176   2.609   9.795
  381    HA   GLU  54           HA       GLU  54  -1.247  -0.257   9.369
  382   1HB   GLU  54          2HB       GLU  54  -2.237  -0.363  11.631
  383   2HB   GLU  54          3HB       GLU  54  -0.727   0.525  11.650
  384   1HG   GLU  54          2HG       GLU  54  -1.743   2.500  12.226
  385   2HG   GLU  54          3HG       GLU  54  -3.089   2.244  11.133
  386    H    THR  55           HN       THR  55  -2.530   0.587   7.287
  387    HA   THR  55           HA       THR  55  -5.235  -0.129   7.716
  388    HB   THR  55           HB       THR  55  -5.214   2.269   8.576
  389    HG1  THR  55           1HG      THR  55  -6.619   1.086   6.404
  390   1HG2  THR  55          1HG2      THR  55  -4.535   2.798   5.636
  391   2HG2  THR  55          2HG2      THR  55  -5.193   4.027   6.742
  392   3HG2  THR  55          3HG2      THR  55  -3.588   3.320   7.050
  393    H    ALA  56           HN       ALA  56  -2.936  -1.005   6.177
  394    HA   ALA  56           HA       ALA  56  -2.766  -0.191   3.615
  395   1HB   ALA  56          1HB       ALA  56  -1.722  -2.208   4.976
  396   2HB   ALA  56          2HB       ALA  56  -3.016  -3.137   4.182
  397   3HB   ALA  56          3HB       ALA  56  -1.812  -2.269   3.200
  398    H    CYS  57           HN       CYS  57  -5.329  -2.308   5.043
  399    HA   CYS  57           HA       CYS  57  -7.285  -1.307   3.337
  400   1HB   CYS  57          2HB       CYS  57  -5.679  -3.277   2.060
  401   2HB   CYS  57          3HB       CYS  57  -7.212  -4.041   2.431
  402    HA   PRO  58           HA       PRO  58  -9.627  -3.538   6.259
  403   1HB   PRO  58          2HB       PRO  58 -11.909  -4.284   4.952
  404   2HB   PRO  58          3HB       PRO  58 -11.632  -2.658   5.546
  405   1HG   PRO  58          2HG       PRO  58 -11.516  -3.661   2.768
  406   2HG   PRO  58          3HG       PRO  58 -11.665  -2.010   3.333
  407   1HD   PRO  58          2HD       PRO  58  -9.299  -3.264   2.307
  408   2HD   PRO  58          3HD       PRO  58  -9.423  -1.651   2.980
  409    H    THR  59           HN       THR  59 -10.579  -5.507   3.499
  410    HA   THR  59           HA       THR  59  -9.085  -7.727   4.668
  411    HB   THR  59           HB       THR  59 -11.107  -9.150   4.648
  412    HG1  THR  59           1HG      THR  59 -12.946  -8.308   3.658
  413   1HG2  THR  59          1HG2      THR  59 -11.999  -6.518   5.905
  414   2HG2  THR  59          2HG2      THR  59 -12.374  -8.174   6.441
  415   3HG2  THR  59          3HG2      THR  59 -10.733  -7.519   6.656
  416    H    ASP  60           HN       ASP  60 -10.483  -9.624   2.862
  417    HA   ASP  60           HA       ASP  60 -10.582 -10.207   0.736
  418   1HB   ASP  60          2HB       ASP  60 -10.572  -7.502   0.353
  419   2HB   ASP  60          3HB       ASP  60  -9.010  -7.887  -0.340
  420    H    PHE  61           HN       PHE  61  -7.636  -8.329   1.726
  421    HA   PHE  61           HA       PHE  61  -6.012 -10.565   0.730
  422   1HB   PHE  61          2HB       PHE  61  -5.523  -7.536   0.948
  423   2HB   PHE  61          3HB       PHE  61  -4.243  -8.667   0.555
  424    HD1  PHE  61           1HD      PHE  61  -4.178  -9.770  -1.616
  425    HD2  PHE  61           2HD      PHE  61  -7.258  -7.008  -0.669
  426    HE1  PHE  61           1HE      PHE  61  -4.784  -9.612  -4.046
  427    HE2  PHE  61           2HE      PHE  61  -7.864  -6.851  -3.100
  428    HZ   PHE  61           HZ       PHE  61  -6.620  -8.154  -4.759
  429    H    LEU  62           HN       LEU  62  -6.146  -7.837   3.128
  430    HA   LEU  62           HA       LEU  62  -4.076  -8.494   4.721
  431   1HB   LEU  62          2HB       LEU  62  -6.402  -6.903   4.873
  432   2HB   LEU  62          3HB       LEU  62  -6.344  -7.829   6.360
  433    HG   LEU  62           HG       LEU  62  -3.769  -6.983   6.242
  434   1HD1  LEU  62          1HD1      LEU  62  -4.539  -4.357   5.687
  435   2HD1  LEU  62          2HD1      LEU  62  -3.475  -5.398   4.711
  436   3HD1  LEU  62          3HD1      LEU  62  -5.217  -5.324   4.355
  437   1HD2  LEU  62          1HD2      LEU  62  -4.641  -6.552   8.266
  438   2HD2  LEU  62          2HD2      LEU  62  -4.890  -4.917   7.608
  439   3HD2  LEU  62          3HD2      LEU  62  -6.228  -6.091   7.606
  440    H    SER  63           HN       SER  63  -3.533 -10.650   4.985
  441    HA   SER  63           HA       SER  63  -4.742 -11.992   7.055
  442   1HB   SER  63          2HB       SER  63  -6.573 -12.301   5.308
  443   2HB   SER  63          3HB       SER  63  -5.436 -13.239   4.361
  444    HG   SER  63           HG       SER  63  -5.232 -14.715   6.192
  445    H    ILE  64           HN       ILE  64  -2.986 -12.191   3.924
  446    HA   ILE  64           HA       ILE  64  -1.578 -14.513   4.325
  447    HB   ILE  64           HB       ILE  64  -0.689 -11.966   2.968
  448   1HG1  ILE  64          2HG1      ILE  64  -1.652 -14.185   1.310
  449   2HG1  ILE  64          3HG1      ILE  64  -2.887 -13.546   2.377
  450   1HG2  ILE  64          1HG2      ILE  64   0.730 -13.514   1.609
  451   2HG2  ILE  64          2HG2      ILE  64   1.228 -13.353   3.310
  452   3HG2  ILE  64          3HG2      ILE  64   0.346 -14.803   2.774
  453   1HD1  ILE  64          1HD1      ILE  64  -3.159 -11.810   0.953
  454   2HD1  ILE  64          2HD1      ILE  64  -1.507 -11.275   1.345
  455   3HD1  ILE  64          3HD1      ILE  64  -1.785 -12.367  -0.033
  456    H    ARG  65           HN       ARG  65   0.001 -11.280   4.738
  457    HA   ARG  65           HA       ARG  65   1.256 -12.433   7.101
  458   1HB   ARG  65          2HB       ARG  65   2.393 -10.530   4.998
  459   2HB   ARG  65          3HB       ARG  65   3.187 -10.811   6.535
  460   1HG   ARG  65          2HG       ARG  65   2.763 -13.405   5.739
  461   2HG   ARG  65          3HG       ARG  65   2.917 -12.630   4.175
  462   1HD   ARG  65          2HD       ARG  65   5.150 -12.056   4.513
  463   2HD   ARG  65          3HD       ARG  65   4.954 -11.858   6.243
  464    HE   ARG  65           HE       ARG  65   5.553 -14.363   4.821
  465   1HH1  ARG  65          1HH1      ARG  65   5.751 -16.175   7.797
  466   2HH1  ARG  65          2HH1      ARG  65   6.066 -16.191   6.093
  467   1HH2  ARG  65          1HH2      ARG  65   4.810 -14.298   8.786
  468   2HH2  ARG  65          2HH2      ARG  65   4.422 -12.913   7.821
  469    H    VAL  66           HN       VAL  66   1.902 -10.776   8.792
  470    HA   VAL  66           HA       VAL  66   0.741  -8.165   8.573
  471    HB   VAL  66           HB       VAL  66  -0.447 -10.251  10.408
  472   1HG1  VAL  66          1HG1      VAL  66  -0.889  -8.667  11.912
  473   2HG1  VAL  66          2HG1      VAL  66  -0.050  -7.458  10.911
  474   3HG1  VAL  66          3HG1      VAL  66  -1.789  -7.755  10.676
  475   1HG2  VAL  66          1HG2      VAL  66  -2.589  -9.388   9.337
  476   2HG2  VAL  66          2HG2      VAL  66  -1.550  -8.563   8.150
  477   3HG2  VAL  66          3HG2      VAL  66  -1.508 -10.337   8.287
  478    H    TYR  67           HN       TYR  67   2.048  -6.781   9.670
  479    HA   TYR  67           HA       TYR  67   3.807  -7.991  11.697
  480   1HB   TYR  67          2HB       TYR  67   4.080  -5.619   9.747
  481   2HB   TYR  67          3HB       TYR  67   5.293  -6.010  10.950
  482    HD1  TYR  67           HD1      TYR  67   3.404  -7.754   8.206
  483    HD2  TYR  67           HD2      TYR  67   7.135  -7.215  10.228
  484    HE1  TYR  67           HE1      TYR  67   4.530  -9.335   6.564
  485    HE2  TYR  67           HE2      TYR  67   8.248  -8.798   8.579
  486    HH   TYR  67           HH       TYR  67   7.768  -9.498   6.153
  487    H    LEU  68           HN       LEU  68   2.251  -4.862  10.684
  488    HA   LEU  68           HA       LEU  68   2.665  -3.365  12.861
  489   1HB   LEU  68          2HB       LEU  68   0.778  -3.468  10.716
  490   2HB   LEU  68          3HB       LEU  68  -0.074  -3.037  12.185
  491    HG   LEU  68           HG       LEU  68   0.519  -0.982  11.292
  492   1HD1  LEU  68          1HD1      LEU  68   3.011  -0.997  12.831
  493   2HD1  LEU  68          2HD1      LEU  68   1.515  -0.061  13.065
  494   3HD1  LEU  68          3HD1      LEU  68   1.635  -1.721  13.695
  495   1HD2  LEU  68          1HD2      LEU  68   1.873  -1.312   9.482
  496   2HD2  LEU  68          2HD2      LEU  68   3.053  -0.619  10.620
  497   3HD2  LEU  68          3HD2      LEU  68   2.991  -2.379  10.365
  498    H    GLY  69           HN       GLY  69   2.777  -4.168  14.917
  499   1HA   GLY  69          1HA       GLY  69   1.885  -4.712  16.934
  500   2HA   GLY  69          2HA       GLY  69   0.298  -4.852  16.205
  501    H    ALA  70           HN       ALA  70   3.508  -6.525  15.785
  502    HA   ALA  70           HA       ALA  70   2.492  -8.981  16.763
  503   1HB   ALA  70          1HB       ALA  70   3.200  -9.489  13.977
  504   2HB   ALA  70          2HB       ALA  70   1.766 -10.006  14.895
  505   3HB   ALA  70          3HB       ALA  70   1.789  -8.411  14.107
  506    H    GLU  71           HN       GLU  71   4.863  -7.247  14.666
  507    HA   GLU  71           HA       GLU  71   6.914  -8.954  14.692
  508   1HB   GLU  71          2HB       GLU  71   6.596  -6.035  14.530
  509   2HB   GLU  71          3HB       GLU  71   8.156  -6.484  15.190
  510   1HG   GLU  71          2HG       GLU  71   8.644  -7.901  13.252
  511   2HG   GLU  71          3HG       GLU  71   7.017  -7.701  12.633
  512    H    THR  72           HN       THR  72   5.868  -6.806  17.386
  513    HA   THR  72           HA       THR  72   6.711  -6.550  19.465
  514    HB   THR  72           HB       THR  72   6.589  -8.819  20.675
  515    HG1  THR  72           1HG      THR  72   5.736 -10.458  18.989
  516   1HG2  THR  72          1HG2      THR  72   4.354  -8.303  18.643
  517   2HG2  THR  72          2HG2      THR  72   4.211  -9.249  20.144
  518   3HG2  THR  72          3HG2      THR  72   4.484  -7.492  20.223
  519    H    THR  73           HN       THR  73   8.801  -6.049  17.842
  520    HA   THR  73           HA       THR  73  10.999  -7.798  18.439
  521    HB   THR  73           HB       THR  73  10.760  -6.518  16.294
  522    HG1  THR  73           1HG      THR  73  13.004  -5.623  16.535
  523   1HG2  THR  73          1HG2      THR  73  11.448  -4.069  17.990
  524   2HG2  THR  73          2HG2      THR  73  11.114  -4.116  16.242
  525   3HG2  THR  73          3HG2      THR  73   9.798  -4.395  17.408
  526    H    ARG  74           HN       ARG  74   9.578  -4.838  19.807
  527    HA   ARG  74           HA       ARG  74  11.878  -4.484  21.473
  528   1HB   ARG  74          2HB       ARG  74  10.672  -2.502  22.326
  529   2HB   ARG  74          3HB       ARG  74  10.626  -2.516  20.575
  530   1HG   ARG  74          2HG       ARG  74   8.361  -3.985  21.785
  531   2HG   ARG  74          3HG       ARG  74   8.409  -2.302  22.271
  532   1HD   ARG  74          2HD       ARG  74   8.868  -2.848  19.355
  533   2HD   ARG  74          3HD       ARG  74   7.248  -3.149  19.951
  534    HE   ARG  74           HE       ARG  74   8.395  -0.560  20.771
  535   1HH1  ARG  74          1HH1      ARG  74   6.158   1.212  18.763
  536   2HH1  ARG  74          2HH1      ARG  74   7.341   1.324  20.023
  537   1HH2  ARG  74          1HH2      ARG  74   5.643  -0.852  17.836
  538   2HH2  ARG  74          2HH2      ARG  74   6.441  -2.281  18.403
  539    H    SER  75           HN       SER  75   8.863  -6.210  21.487
  540    HA   SER  75           HA       SER  75   9.060  -6.490  24.384
  541   1HB   SER  75          2HB       SER  75   6.883  -5.585  23.045
  542   2HB   SER  75          3HB       SER  75   6.558  -7.304  22.940
  543    HG   SER  75           HG       SER  75   7.299  -6.887  25.476
  544    H    MET  76           HN       MET  76  10.191  -7.916  21.733
  545    HA   MET  76           HA       MET  76   9.275 -10.327  21.291
  546   1HB   MET  76          2HB       MET  76  11.955  -9.087  21.465
  547   2HB   MET  76          3HB       MET  76  12.036 -10.813  21.754
  548   1HG   MET  76          2HG       MET  76  10.250 -10.335  19.516
  549   2HG   MET  76          3HG       MET  76  11.742  -9.461  19.237
  550   1HE   MET  76          1HE       MET  76  13.501 -10.086  18.488
  551   2HE   MET  76          2HE       MET  76  14.443 -11.528  18.937
  552   3HE   MET  76          3HE       MET  76  13.484 -11.523  17.437
  553    H    GLY  77           HN       GLY  77  11.501  -9.640  24.093
  554   1HA   GLY  77          1HA       GLY  77  10.060 -11.225  25.914
  555   2HA   GLY  77          2HA       GLY  77  11.347 -12.195  25.227
  556    H    LEU  78           HN       LEU  78  13.286 -10.067  24.774
  557    HA   LEU  78           HA       LEU  78  13.928  -9.470  27.576
  558   1HB   LEU  78          2HB       LEU  78  15.622 -10.840  26.955
  559   2HB   LEU  78          3HB       LEU  78  15.517 -10.411  25.259
  560    HG   LEU  78           HG       LEU  78  17.625  -9.729  26.499
  561   1HD1  LEU  78          1HD1      LEU  78  16.346  -7.297  25.304
  562   2HD1  LEU  78          2HD1      LEU  78  17.982  -7.960  25.075
  563   3HD1  LEU  78          3HD1      LEU  78  16.586  -8.747  24.301
  564   1HD2  LEU  78          1HD2      LEU  78  16.438  -7.235  27.463
  565   2HD2  LEU  78          2HD2      LEU  78  15.869  -8.674  28.345
  566   3HD2  LEU  78          3HD2      LEU  78  17.612  -8.328  28.235
  567    H    ALA  79           HN       ALA  79  14.085  -8.229  24.179
  568    HA   ALA  79           HA       ALA  79  15.082  -5.765  24.556
  569   1HB   ALA  79          1HB       ALA  79  14.301  -5.410  22.455
  570   2HB   ALA  79          2HB       ALA  79  13.768  -7.106  22.546
  571   3HB   ALA  79          3HB       ALA  79  12.623  -5.792  22.910
  572    H    TYR  80           HN       TYR  80  11.945  -7.011  25.672
  573    HA   TYR  80           HA       TYR  80  10.784  -4.499  26.225
  574   1HB   TYR  80          2HB       TYR  80   9.078  -5.932  27.039
  575   2HB   TYR  80          3HB       TYR  80   9.976  -7.097  26.087
  576    HD1  TYR  80           HD1      TYR  80  12.195  -7.966  27.597
  577    HD2  TYR  80           HD2      TYR  80   8.346  -6.797  29.053
  578    HE1  TYR  80           HE1      TYR  80  12.542  -9.387  29.675
  579    HE2  TYR  80           HE2      TYR  80   8.706  -8.223  31.127
  580    HH   TYR  80           HH       TYR  80  11.688  -9.370  32.029
  Start of MODEL    3
    1    H    SER   1           HN       SER   1  -4.796  -7.702   8.880
    2    HA   SER   1           HA       SER   1  -6.471  -5.929   7.965
    3   1HB   SER   1          2HB       SER   1  -6.914  -6.139  10.898
    4   2HB   SER   1          3HB       SER   1  -6.700  -4.498  10.319
    5    HG   SER   1           HG       SER   1  -8.863  -6.192  10.021
    6    H    HIS   2           HN       HIS   2  -4.000  -6.357  10.550
    7    HA   HIS   2           HA       HIS   2  -2.764  -3.854  10.029
    8   1HB   HIS   2          2HB       HIS   2  -1.664  -6.267  11.495
    9   2HB   HIS   2          3HB       HIS   2  -1.058  -4.625  11.582
   10    HD1  HIS   2           HD1      HIS   2  -4.244  -6.574  12.425
   11    HD2  HIS   2           HD2      HIS   2  -2.184  -3.106  13.574
   12    HE1  HIS   2           HE1      HIS   2  -5.485  -5.645  14.452
   13    H    SER   3           HN       SER   3  -0.001  -4.564   9.944
   14    HA   SER   3           HA       SER   3   1.598  -5.023   8.551
   15   1HB   SER   3          2HB       SER   3   1.253  -7.335   8.572
   16   2HB   SER   3          3HB       SER   3  -0.341  -7.217   7.855
   17    HG   SER   3           HG       SER   3   1.923  -6.409   6.300
   18    H    VAL   4           HN       VAL   4   2.372  -4.469   6.379
   19    HA   VAL   4           HA       VAL   4   0.293  -3.540   4.548
   20    HB   VAL   4           HB       VAL   4   1.570  -1.455   4.196
   21   1HG1  VAL   4          1HG1      VAL   4   0.038  -0.581   5.557
   22   2HG1  VAL   4          2HG1      VAL   4  -0.120  -2.138   6.403
   23   3HG1  VAL   4          3HG1      VAL   4   1.077  -0.943   6.956
   24   1HG2  VAL   4          1HG2      VAL   4   2.980  -1.604   6.780
   25   2HG2  VAL   4          2HG2      VAL   4   3.617  -2.702   5.532
   26   3HG2  VAL   4          3HG2      VAL   4   3.517  -0.954   5.211
   27    H    LYS   5           HN       LYS   5   1.664  -5.976   4.375
   28    HA   LYS   5           HA       LYS   5   4.083  -5.845   3.009
   29   1HB   LYS   5          2HB       LYS   5   2.555  -7.824   4.057
   30   2HB   LYS   5          3HB       LYS   5   2.213  -8.056   2.355
   31   1HG   LYS   5          2HG       LYS   5   5.002  -7.612   2.443
   32   2HG   LYS   5          3HG       LYS   5   4.684  -8.609   3.849
   33   1HD   LYS   5          2HD       LYS   5   5.031 -10.199   2.128
   34   2HD   LYS   5          3HD       LYS   5   3.285 -10.119   2.252
   35   1HE   LYS   5          2HE       LYS   5   3.055  -9.234   0.153
   36   2HE   LYS   5          3HE       LYS   5   4.368  -8.097   0.388
   37   1HZ   LYS   5          1HZ       LYS   5   5.478 -10.620   0.272
   38   2HZ   LYS   5          2HZ       LYS   5   4.420 -10.522  -0.968
   39   3HZ   LYS   5          3HZ       LYS   5   5.614  -9.417  -0.825
   40    H    ILE   6           HN       ILE   6   4.548  -6.176   0.713
   41    HA   ILE   6           HA       ILE   6   3.013  -4.436  -0.887
   42    HB   ILE   6           HB       ILE   6   5.305  -6.311  -1.415
   43   1HG1  ILE   6          2HG1      ILE   6   6.030  -3.696  -2.007
   44   2HG1  ILE   6          3HG1      ILE   6   4.995  -3.515  -0.604
   45   1HG2  ILE   6          1HG2      ILE   6   4.385  -6.367  -3.520
   46   2HG2  ILE   6          2HG2      ILE   6   3.645  -4.757  -3.364
   47   3HG2  ILE   6          3HG2      ILE   6   5.398  -4.908  -3.631
   48   1HD1  ILE   6          1HD1      ILE   6   6.521  -5.719   0.113
   49   2HD1  ILE   6          2HD1      ILE   6   7.681  -4.738  -0.816
   50   3HD1  ILE   6          3HD1      ILE   6   6.859  -4.041   0.601
   51    H    TYR   7           HN       TYR   7   1.055  -4.850  -1.746
   52    HA   TYR   7           HA       TYR   7   0.646  -7.316  -3.158
   53   1HB   TYR   7          2HB       TYR   7  -0.654  -6.529  -0.502
   54   2HB   TYR   7          3HB       TYR   7  -1.586  -7.476  -1.647
   55    HD1  TYR   7           HD1      TYR   7   0.107  -7.840   1.246
   56    HD2  TYR   7           HD2      TYR   7   0.168  -9.458  -2.714
   57    HE1  TYR   7           HE1      TYR   7   1.185  -9.970   2.124
   58    HE2  TYR   7           HE2      TYR   7   1.245 -11.581  -1.823
   59    HH   TYR   7           HH       TYR   7   2.508 -11.764   1.354
   60    H    ASP   8           HN       ASP   8  -1.704  -7.335  -4.081
   61    HA   ASP   8           HA       ASP   8  -2.110  -4.698  -5.118
   62   1HB   ASP   8          2HB       ASP   8  -3.700  -5.811  -6.651
   63   2HB   ASP   8          3HB       ASP   8  -2.163  -6.653  -6.630
   64    H    THR   9           HN       THR   9  -2.705  -4.838  -2.340
   65    HA   THR   9           HA       THR   9  -5.548  -5.306  -2.045
   66    HB   THR   9           HB       THR   9  -3.865  -5.964  -0.297
   67    HG1  THR   9           1HG      THR   9  -5.630  -5.463   0.937
   68   1HG2  THR   9          1HG2      THR   9  -3.571  -3.304   0.858
   69   2HG2  THR   9          2HG2      THR   9  -2.301  -4.492   0.479
   70   3HG2  THR   9          3HG2      THR   9  -2.835  -3.335  -0.763
   71    H    CYS  10           HN       CYS  10  -6.642  -3.835  -3.328
   72    HA   CYS  10           HA       CYS  10  -6.845  -1.243  -2.175
   73   1HB   CYS  10          2HB       CYS  10  -4.813  -1.107  -3.758
   74   2HB   CYS  10          3HB       CYS  10  -5.968  -1.255  -5.068
   75    H    ILE  11           HN       ILE  11  -8.962  -0.525  -2.515
   76    HA   ILE  11           HA       ILE  11 -10.509  -2.076  -4.473
   77    HB   ILE  11           HB       ILE  11 -12.354  -2.023  -3.051
   78   1HG1  ILE  11          2HG1      ILE  11 -12.161   0.371  -2.415
   79   2HG1  ILE  11          3HG1      ILE  11 -12.610  -0.677  -1.084
   80   1HG2  ILE  11          1HG2      ILE  11 -11.092  -2.602  -0.705
   81   2HG2  ILE  11          2HG2      ILE  11 -11.283  -3.731  -2.068
   82   3HG2  ILE  11          3HG2      ILE  11  -9.770  -2.812  -1.879
   83   1HD1  ILE  11          1HD1      ILE  11  -9.931  -0.769  -0.745
   84   2HD1  ILE  11          2HD1      ILE  11 -10.049   0.814  -1.550
   85   3HD1  ILE  11          3HD1      ILE  11 -10.933   0.520  -0.034
   86    H    GLY  12           HN       GLY  12  -9.168   0.966  -3.664
   87   1HA   GLY  12          1HA       GLY  12  -9.327   2.634  -5.405
   88   2HA   GLY  12          2HA       GLY  12 -11.041   2.289  -5.533
   89    H    CYS  13           HN       CYS  13  -9.136   2.541  -2.481
   90    HA   CYS  13           HA       CYS  13 -10.844   4.815  -1.788
   91   1HB   CYS  13          2HB       CYS  13 -11.225   3.861   0.194
   92   2HB   CYS  13          3HB       CYS  13 -10.462   2.410  -0.425
   93    H    THR  14           HN       THR  14  -9.656   6.353  -0.140
   94    HA   THR  14           HA       THR  14  -6.902   6.719  -1.119
   95    HB   THR  14           HB       THR  14  -8.627   8.468  -1.746
   96    HG1  THR  14           1HG      THR  14  -7.108  10.087  -1.112
   97   1HG2  THR  14          1HG2      THR  14 -10.017   9.360  -0.169
   98   2HG2  THR  14          2HG2      THR  14  -9.362   8.209   1.020
   99   3HG2  THR  14          3HG2      THR  14  -8.614   9.812   0.829
  100    H    GLN  15           HN       GLN  15  -6.760   4.861   0.675
  101    HA   GLN  15           HA       GLN  15  -5.900   6.322   3.029
  102   1HB   GLN  15          2HB       GLN  15  -7.158   5.122   4.523
  103   2HB   GLN  15          3HB       GLN  15  -8.229   4.941   3.148
  104   1HG   GLN  15          2HG       GLN  15  -7.111   2.774   2.567
  105   2HG   GLN  15          3HG       GLN  15  -6.051   2.954   3.950
  106   1HE2  GLN  15          1HE2      GLN  15  -7.098   0.789   4.306
  107   2HE2  GLN  15          2HE2      GLN  15  -8.530   0.734   5.280
  108    H    CYS  16           HN       CYS  16  -4.024   5.447   4.049
  109    HA   CYS  16           HA       CYS  16  -2.375   3.954   4.380
  110   1HB   CYS  16          2HB       CYS  16  -2.359   1.845   3.548
  111   2HB   CYS  16          3HB       CYS  16  -4.014   2.235   3.121
  112    H    VAL  17           HN       VAL  17  -3.262   5.307   1.200
  113    HA   VAL  17           HA       VAL  17  -0.478   5.505   0.411
  114    HB   VAL  17           HB       VAL  17  -2.871   6.605  -1.044
  115   1HG1  VAL  17          1HG1      VAL  17  -0.072   6.439  -1.576
  116   2HG1  VAL  17          2HG1      VAL  17  -0.915   5.365  -2.719
  117   3HG1  VAL  17          3HG1      VAL  17  -1.366   7.083  -2.616
  118   1HG2  VAL  17          1HG2      VAL  17  -1.925   3.730  -0.926
  119   2HG2  VAL  17          2HG2      VAL  17  -3.550   4.370  -0.582
  120   3HG2  VAL  17          3HG2      VAL  17  -2.926   4.374  -2.249
  121    H    ARG  18           HN       ARG  18  -1.935   6.972   2.778
  122    HA   ARG  18           HA       ARG  18  -0.847   9.552   2.018
  123   1HB   ARG  18          2HB       ARG  18  -3.630   8.938   2.688
  124   2HB   ARG  18          3HB       ARG  18  -2.970  10.061   3.860
  125   1HG   ARG  18          2HG       ARG  18  -3.857  11.425   2.098
  126   2HG   ARG  18          3HG       ARG  18  -2.117  11.464   1.888
  127   1HD   ARG  18          2HD       ARG  18  -2.830   9.230   0.379
  128   2HD   ARG  18          3HD       ARG  18  -4.200  10.292   0.126
  129    HE   ARG  18           HE       ARG  18  -1.720  11.760  -0.146
  130   1HH1  ARG  18          1HH1      ARG  18  -1.689  11.645  -3.633
  131   2HH1  ARG  18          2HH1      ARG  18  -1.027  12.406  -2.225
  132   1HH2  ARG  18          1HH2      ARG  18  -3.280   9.971  -3.409
  133   2HH2  ARG  18          2HH2      ARG  18  -3.806   9.482  -1.832
  134    H    ALA  19           HN       ALA  19  -2.081   7.407   4.671
  135    HA   ALA  19           HA       ALA  19  -1.200   8.637   6.880
  136   1HB   ALA  19          1HB       ALA  19  -2.276   6.273   6.430
  137   2HB   ALA  19          2HB       ALA  19  -0.590   5.707   6.512
  138   3HB   ALA  19          3HB       ALA  19  -1.317   6.545   7.905
  139    H    CYS  20           HN       CYS  20   0.833   6.530   4.730
  140    HA   CYS  20           HA       CYS  20   3.161   6.562   6.025
  141   1HB   CYS  20          2HB       CYS  20   2.707   5.506   3.799
  142   2HB   CYS  20          3HB       CYS  20   2.906   7.074   3.043
  143    HA   PRO  21           HA       PRO  21   3.940  10.886   6.360
  144   1HB   PRO  21          2HB       PRO  21   6.096  10.722   8.032
  145   2HB   PRO  21          3HB       PRO  21   4.439  10.727   8.602
  146   1HG   PRO  21          2HG       PRO  21   6.327   8.460   8.409
  147   2HG   PRO  21          3HG       PRO  21   4.852   8.583   9.347
  148   1HD   PRO  21          2HD       PRO  21   5.205   7.153   6.887
  149   2HD   PRO  21          3HD       PRO  21   3.706   7.373   7.764
  150    H    LEU  22           HN       LEU  22   6.324   8.513   5.478
  151    HA   LEU  22           HA       LEU  22   8.039  10.532   4.359
  152   1HB   LEU  22          2HB       LEU  22   8.124   7.514   4.308
  153   2HB   LEU  22          3HB       LEU  22   9.349   8.551   3.605
  154    HG   LEU  22           HG       LEU  22   9.625   9.564   5.945
  155   1HD1  LEU  22          1HD1      LEU  22   9.012   7.586   7.653
  156   2HD1  LEU  22          2HD1      LEU  22   7.931   8.960   7.317
  157   3HD1  LEU  22          3HD1      LEU  22   7.669   7.401   6.499
  158   1HD2  LEU  22          1HD2      LEU  22  10.392   6.652   5.815
  159   2HD2  LEU  22          2HD2      LEU  22  11.122   7.864   4.735
  160   3HD2  LEU  22          3HD2      LEU  22  11.293   8.025   6.499
  161    H    ASP  23           HN       ASP  23   7.663   7.672   2.416
  162    HA   ASP  23           HA       ASP  23   5.602   8.441   0.780
  163   1HB   ASP  23          2HB       ASP  23   7.297  10.368   0.360
  164   2HB   ASP  23          3HB       ASP  23   8.295   9.173  -0.443
  165    H    VAL  24           HN       VAL  24   5.909   5.997   1.485
  166    HA   VAL  24           HA       VAL  24   7.746   4.640  -0.353
  167    HB   VAL  24           HB       VAL  24   7.742   4.352   2.229
  168   1HG1  VAL  24          1HG1      VAL  24   5.314   3.977   2.448
  169   2HG1  VAL  24          2HG1      VAL  24   5.460   2.494   1.474
  170   3HG1  VAL  24          3HG1      VAL  24   6.257   2.598   3.063
  171   1HG2  VAL  24          1HG2      VAL  24   9.173   3.016   0.885
  172   2HG2  VAL  24          2HG2      VAL  24   8.279   1.884   1.928
  173   3HG2  VAL  24          3HG2      VAL  24   7.807   2.084   0.223
  174    H    LEU  25           HN       LEU  25   4.355   4.688   0.902
  175    HA   LEU  25           HA       LEU  25   3.486   2.718  -0.949
  176   1HB   LEU  25          2HB       LEU  25   2.183   4.580   1.000
  177   2HB   LEU  25          3HB       LEU  25   1.201   3.755  -0.194
  178    HG   LEU  25           HG       LEU  25   2.872   1.780   0.977
  179   1HD1  LEU  25          1HD1      LEU  25   2.018   3.874   2.895
  180   2HD1  LEU  25          2HD1      LEU  25   1.727   2.187   3.380
  181   3HD1  LEU  25          3HD1      LEU  25   3.373   2.723   2.968
  182   1HD2  LEU  25          1HD2      LEU  25   0.422   1.802   0.050
  183   2HD2  LEU  25          2HD2      LEU  25   0.894   0.657   1.328
  184   3HD2  LEU  25          3HD2      LEU  25  -0.005   2.136   1.746
  185    H    GLU  26           HN       GLU  26   4.044   3.283  -3.062
  186    HA   GLU  26           HA       GLU  26   2.800   5.757  -3.981
  187   1HB   GLU  26          2HB       GLU  26   5.153   4.319  -5.276
  188   2HB   GLU  26          3HB       GLU  26   4.521   5.896  -5.705
  189   1HG   GLU  26          2HG       GLU  26   5.040   6.575  -3.237
  190   2HG   GLU  26          3HG       GLU  26   5.988   5.103  -3.159
  191    H    MET  27           HN       MET  27   3.076   5.175  -6.800
  192    HA   MET  27           HA       MET  27   0.931   3.254  -6.989
  193   1HB   MET  27          2HB       MET  27   0.754   4.172  -9.336
  194   2HB   MET  27          3HB       MET  27   0.684   5.442  -8.130
  195   1HG   MET  27          2HG       MET  27   2.475   6.455  -9.089
  196   2HG   MET  27          3HG       MET  27   3.462   5.049  -8.740
  197   1HE   MET  27          1HE       MET  27   4.869   4.276 -11.114
  198   2HE   MET  27          2HE       MET  27   4.486   5.538 -12.309
  199   3HE   MET  27          3HE       MET  27   4.734   5.975 -10.601
  200    H    VAL  28           HN       VAL  28   1.055   1.275  -8.064
  201    HA   VAL  28           HA       VAL  28   3.630   0.670  -9.337
  202    HB   VAL  28           HB       VAL  28   3.904  -1.277  -8.170
  203   1HG1  VAL  28          1HG1      VAL  28   2.425  -0.082  -5.886
  204   2HG1  VAL  28          2HG1      VAL  28   4.122  -0.610  -6.011
  205   3HG1  VAL  28          3HG1      VAL  28   3.628   0.963  -6.681
  206   1HG2  VAL  28          1HG2      VAL  28   1.688  -1.944  -6.656
  207   2HG2  VAL  28          2HG2      VAL  28   0.971  -1.347  -8.172
  208   3HG2  VAL  28          3HG2      VAL  28   2.151  -2.678  -8.211
  209    HA   PRO  29           HA       PRO  29   1.226  -1.091 -12.470
  210   1HB   PRO  29          2HB       PRO  29   2.583  -3.336 -13.235
  211   2HB   PRO  29          3HB       PRO  29   3.059  -1.718 -13.711
  212   1HG   PRO  29          2HG       PRO  29   4.291  -3.494 -11.694
  213   2HG   PRO  29          3HG       PRO  29   4.975  -2.087 -12.481
  214   1HD   PRO  29          2HD       PRO  29   3.950  -2.229  -9.806
  215   2HD   PRO  29          3HD       PRO  29   4.528  -0.796 -10.632
  216    H    TRP  30           HN       TRP  30  -0.811  -1.751 -12.265
  217    HA   TRP  30           HA       TRP  30  -1.102  -4.440 -11.143
  218   1HB   TRP  30          2HB       TRP  30  -1.517  -2.907  -9.310
  219   2HB   TRP  30          3HB       TRP  30  -2.653  -1.992 -10.282
  220    HD1  TRP  30           HD1      TRP  30  -5.109  -2.603  -9.671
  221    HE1  TRP  30           HE1      TRP  30  -6.485  -4.686  -8.816
  222    HE3  TRP  30           HE3      TRP  30  -1.165  -5.809  -9.515
  223    HZ2  TRP  30           HZ2      TRP  30  -5.787  -7.379  -8.184
  224    HZ3  TRP  30           HZ3      TRP  30  -1.598  -8.147  -8.766
  225    HH2  TRP  30           HH2      TRP  30  -3.814  -8.949  -8.115
  226    H    ASP  31           HN       ASP  31  -3.594  -5.078 -11.559
  227    HA   ASP  31           HA       ASP  31  -4.423  -3.912 -14.079
  228   1HB   ASP  31          2HB       ASP  31  -3.046  -6.210 -14.174
  229   2HB   ASP  31          3HB       ASP  31  -4.582  -6.908 -13.702
  230    H    GLY  32           HN       GLY  32  -5.783  -3.077 -11.995
  231   1HA   GLY  32          1HA       GLY  32  -8.273  -4.577 -12.024
  232   2HA   GLY  32          2HA       GLY  32  -7.480  -4.452 -10.467
  233    H    CYS  33           HN       CYS  33  -6.260  -1.785 -11.002
  234    HA   CYS  33           HA       CYS  33  -8.509  -0.240 -10.206
  235   1HB   CYS  33          2HB       CYS  33  -5.714  -0.071  -9.899
  236   2HB   CYS  33          3HB       CYS  33  -6.156   1.338 -10.843
  237    HG   CYS  33           HG       CYS  33  -6.156   1.158  -7.897
  238    H    LYS  34           HN       LYS  34  -8.799   2.034 -11.353
  239    HA   LYS  34           HA       LYS  34  -9.596   1.516 -13.995
  240   1HB   LYS  34          2HB       LYS  34  -9.614   3.813 -12.116
  241   2HB   LYS  34          3HB       LYS  34  -9.665   4.222 -13.819
  242   1HG   LYS  34          2HG       LYS  34 -11.641   2.829 -14.173
  243   2HG   LYS  34          3HG       LYS  34 -11.519   2.150 -12.562
  244   1HD   LYS  34          2HD       LYS  34 -13.236   3.837 -12.453
  245   2HD   LYS  34          3HD       LYS  34 -11.840   4.504 -11.629
  246   1HE   LYS  34          2HE       LYS  34 -11.346   6.008 -13.378
  247   2HE   LYS  34          3HE       LYS  34 -12.150   5.032 -14.591
  248   1HZ   LYS  34          1HZ       LYS  34 -14.041   6.067 -14.189
  249   2HZ   LYS  34          2HZ       LYS  34 -13.940   5.872 -12.571
  250   3HZ   LYS  34          3HZ       LYS  34 -13.214   7.148 -13.288
  251    H    ALA  35           HN       ALA  35  -6.582   2.597 -12.535
  252    HA   ALA  35           HA       ALA  35  -5.571   3.213 -15.226
  253   1HB   ALA  35          1HB       ALA  35  -4.034   4.716 -14.212
  254   2HB   ALA  35          2HB       ALA  35  -5.586   5.022 -13.396
  255   3HB   ALA  35          3HB       ALA  35  -4.332   4.052 -12.588
  256    H    GLY  36           HN       GLY  36  -5.999   0.540 -13.792
  257   1HA   GLY  36          1HA       GLY  36  -4.837  -1.333 -13.260
  258   2HA   GLY  36          2HA       GLY  36  -3.954  -0.925 -14.719
  259    H    GLN  37           HN       GLN  37  -4.070   0.548 -11.392
  260    HA   GLN  37           HA       GLN  37  -1.344  -0.242 -10.994
  261   1HB   GLN  37          2HB       GLN  37  -0.623   2.127 -10.471
  262   2HB   GLN  37          3HB       GLN  37  -0.927   1.822 -12.170
  263   1HG   GLN  37          2HG       GLN  37  -2.405   3.538 -12.176
  264   2HG   GLN  37          3HG       GLN  37  -3.440   2.613 -11.105
  265   1HE2  GLN  37          1HE2      GLN  37  -3.735   3.240  -9.075
  266   2HE2  GLN  37          2HE2      GLN  37  -2.919   4.542  -8.278
  267    H    ILE  38           HN       ILE  38  -1.250  -0.981  -8.920
  268    HA   ILE  38           HA       ILE  38  -3.289  -0.010  -7.073
  269    HB   ILE  38           HB       ILE  38  -2.633  -2.515  -7.700
  270   1HG1  ILE  38          2HG1      ILE  38  -3.242  -2.597  -4.919
  271   2HG1  ILE  38          3HG1      ILE  38  -4.039  -1.184  -5.582
  272   1HG2  ILE  38          1HG2      ILE  38  -1.151  -2.408  -5.131
  273   2HG2  ILE  38          2HG2      ILE  38  -0.956  -3.485  -6.534
  274   3HG2  ILE  38          3HG2      ILE  38  -0.286  -1.837  -6.578
  275   1HD1  ILE  38          1HD1      ILE  38  -5.262  -2.462  -7.179
  276   2HD1  ILE  38          2HD1      ILE  38  -4.182  -3.866  -7.004
  277   3HD1  ILE  38          3HD1      ILE  38  -5.314  -3.444  -5.696
  278    H    ALA  39           HN       ALA  39  -2.778   0.913  -5.055
  279    HA   ALA  39           HA       ALA  39  -0.231   2.243  -5.026
  280   1HB   ALA  39          1HB       ALA  39  -1.534   2.807  -2.639
  281   2HB   ALA  39          2HB       ALA  39  -1.676   3.743  -4.147
  282   3HB   ALA  39          3HB       ALA  39  -2.877   2.486  -3.762
  283    H    SER  40           HN       SER  40   1.538   1.073  -4.431
  284    HA   SER  40           HA       SER  40   1.303  -0.343  -1.913
  285   1HB   SER  40          2HB       SER  40   2.086  -1.504  -4.570
  286   2HB   SER  40          3HB       SER  40   3.004  -2.031  -3.174
  287    HG   SER  40           HG       SER  40   1.143  -3.395  -3.582
  288    H    SER  41           HN       SER  41   3.914  -1.289  -1.665
  289    HA   SER  41           HA       SER  41   5.432   1.185  -1.949
  290   1HB   SER  41          2HB       SER  41   6.782   0.146   0.033
  291   2HB   SER  41          3HB       SER  41   5.228   0.881   0.369
  292    HG   SER  41           HG       SER  41   6.005  -1.832   0.478
  293    HA   PRO  42           HA       PRO  42   7.615  -1.830  -4.475
  294   1HB   PRO  42          2HB       PRO  42   8.322  -0.119  -6.485
  295   2HB   PRO  42          3HB       PRO  42   6.851  -1.070  -6.510
  296   1HG   PRO  42          2HG       PRO  42   7.180   1.820  -5.981
  297   2HG   PRO  42          3HG       PRO  42   5.729   0.944  -6.427
  298   1HD   PRO  42          2HD       PRO  42   6.419   1.905  -3.814
  299   2HD   PRO  42          3HD       PRO  42   5.026   0.929  -4.238
  300    H    ARG  43           HN       ARG  43   8.855   1.487  -4.430
  301    HA   ARG  43           HA       ARG  43  11.457   0.378  -3.997
  302   1HB   ARG  43          2HB       ARG  43  10.425   3.231  -4.359
  303   2HB   ARG  43          3HB       ARG  43  12.113   2.880  -4.041
  304   1HG   ARG  43          2HG       ARG  43  12.320   1.585  -6.092
  305   2HG   ARG  43          3HG       ARG  43  10.586   1.603  -6.353
  306   1HD   ARG  43          2HD       ARG  43  10.609   4.033  -6.741
  307   2HD   ARG  43          3HD       ARG  43  12.300   4.133  -6.294
  308    HE   ARG  43           HE       ARG  43  12.037   2.233  -8.421
  309   1HH1  ARG  43          1HH1      ARG  43  12.688   4.464 -11.023
  310   2HH1  ARG  43          2HH1      ARG  43  12.604   2.797 -10.561
  311   1HH2  ARG  43          1HH2      ARG  43  12.224   6.125  -9.469
  312   2HH2  ARG  43          2HH2      ARG  43  11.794   5.696  -7.846
  313    H    THR  44           HN       THR  44  11.197  -0.518  -1.832
  314    HA   THR  44           HA       THR  44  10.385   1.245   0.301
  315    HB   THR  44           HB       THR  44  11.558  -1.583   0.369
  316    HG1  THR  44           1HG      THR  44   9.669  -1.602  -0.929
  317   1HG2  THR  44          1HG2      THR  44  10.089  -1.755   2.405
  318   2HG2  THR  44          2HG2      THR  44  11.359  -0.527   2.613
  319   3HG2  THR  44          3HG2      THR  44   9.692  -0.029   2.240
  320    H    GLU  45           HN       GLU  45  12.943   1.596  -1.509
  321    HA   GLU  45           HA       GLU  45  15.192   1.192  -0.113
  322   1HB   GLU  45          2HB       GLU  45  16.172   2.996  -1.376
  323   2HB   GLU  45          3HB       GLU  45  14.953   2.259  -2.396
  324   1HG   GLU  45          2HG       GLU  45  13.361   4.041  -1.934
  325   2HG   GLU  45          3HG       GLU  45  14.367   4.694  -0.655
  326    H    ASP  46           HN       ASP  46  12.532   3.327   0.719
  327    HA   ASP  46           HA       ASP  46  14.196   4.643   2.696
  328   1HB   ASP  46          2HB       ASP  46  12.061   5.506   1.034
  329   2HB   ASP  46          3HB       ASP  46  11.378   5.451   2.647
  330    H    CYS  47           HN       CYS  47  11.967   5.272   4.503
  331    HA   CYS  47           HA       CYS  47  10.759   4.455   6.150
  332   1HB   CYS  47          2HB       CYS  47   9.480   3.180   4.485
  333   2HB   CYS  47          3HB       CYS  47  10.642   1.870   4.562
  334    H    VAL  48           HN       VAL  48  11.256   3.477   8.196
  335    HA   VAL  48           HA       VAL  48  13.288   1.471   8.353
  336    HB   VAL  48           HB       VAL  48  14.632   3.486   7.953
  337   1HG1  VAL  48          1HG1      VAL  48  12.824   4.612   9.961
  338   2HG1  VAL  48          2HG1      VAL  48  14.539   4.928  10.319
  339   3HG1  VAL  48          3HG1      VAL  48  13.849   5.426   8.755
  340   1HG2  VAL  48          1HG2      VAL  48  15.880   3.353  10.289
  341   2HG2  VAL  48          2HG2      VAL  48  14.766   1.989  10.545
  342   3HG2  VAL  48          3HG2      VAL  48  15.881   1.978   9.158
  343    H    GLY  49           HN       GLY  49  10.676   1.249   9.068
  344   1HA   GLY  49          1HA       GLY  49   9.472   0.517  10.834
  345   2HA   GLY  49          2HA       GLY  49  10.854   0.783  11.878
  346    H    CYS  50           HN       CYS  50   8.412   2.689   9.971
  347    HA   CYS  50           HA       CYS  50   8.349   4.547  12.238
  348   1HB   CYS  50          2HB       CYS  50   8.789   6.203  10.815
  349   2HB   CYS  50          3HB       CYS  50   8.854   5.077   9.474
  350    H    LYS  51           HN       LYS  51   6.803   2.011  10.691
  351    HA   LYS  51           HA       LYS  51   4.710   1.306  10.482
  352   1HB   LYS  51          2HB       LYS  51   4.580   2.805  13.106
  353   2HB   LYS  51          3HB       LYS  51   3.244   1.841  12.508
  354   1HG   LYS  51          2HG       LYS  51   4.258  -0.091  13.137
  355   2HG   LYS  51          3HG       LYS  51   5.723   0.325  12.270
  356   1HD   LYS  51          2HD       LYS  51   5.160   1.724  14.889
  357   2HD   LYS  51          3HD       LYS  51   5.714   0.062  14.937
  358   1HE   LYS  51          2HE       LYS  51   7.846   0.699  14.487
  359   2HE   LYS  51          3HE       LYS  51   7.339   1.527  13.029
  360   1HZ   LYS  51          1HZ       LYS  51   6.544   3.029  15.232
  361   2HZ   LYS  51          2HZ       LYS  51   8.122   2.655  15.421
  362   3HZ   LYS  51          3HZ       LYS  51   7.622   3.426  14.071
  363    H    ARG  52           HN       ARG  52   2.890   3.709  12.067
  364    HA   ARG  52           HA       ARG  52   1.604   5.325  11.414
  365   1HB   ARG  52          2HB       ARG  52   3.895   5.651   9.651
  366   2HB   ARG  52          3HB       ARG  52   2.439   6.034   8.754
  367   1HG   ARG  52          2HG       ARG  52   2.895   8.107   9.732
  368   2HG   ARG  52          3HG       ARG  52   1.790   7.431  10.913
  369   1HD   ARG  52          2HD       ARG  52   4.815   7.103  11.144
  370   2HD   ARG  52          3HD       ARG  52   3.966   8.469  11.839
  371    HE   ARG  52           HE       ARG  52   4.024   5.777  12.893
  372   1HH1  ARG  52          1HH1      ARG  52   1.482   6.307  15.224
  373   2HH1  ARG  52          2HH1      ARG  52   2.784   5.271  14.743
  374   1HH2  ARG  52          1HH2      ARG  52   0.997   8.210  13.986
  375   2HH2  ARG  52          2HH2      ARG  52   1.937   8.593  12.583
  376    H    CYS  53           HN       CYS  53   2.554   3.495   8.404
  377    HA   CYS  53           HA       CYS  53   0.032   3.641   7.238
  378   1HB   CYS  53          2HB       CYS  53   0.858   1.767   5.792
  379   2HB   CYS  53          3HB       CYS  53   1.922   3.157   5.859
  380    H    GLU  54           HN       GLU  54  -1.437   3.147   9.050
  381    HA   GLU  54           HA       GLU  54  -1.467   0.291   9.648
  382   1HB   GLU  54          2HB       GLU  54  -1.101   2.194  11.514
  383   2HB   GLU  54          3HB       GLU  54  -2.852   2.266  11.448
  384   1HG   GLU  54          2HG       GLU  54  -3.019  -0.146  11.933
  385   2HG   GLU  54          3HG       GLU  54  -1.277  -0.322  11.849
  386    H    THR  55           HN       THR  55  -2.606   1.056   7.266
  387    HA   THR  55           HA       THR  55  -5.299   0.274   7.626
  388    HB   THR  55           HB       THR  55  -5.504   2.659   8.355
  389    HG1  THR  55           1HG      THR  55  -7.073   3.134   6.550
  390   1HG2  THR  55          1HG2      THR  55  -4.915   3.507   5.510
  391   2HG2  THR  55          2HG2      THR  55  -4.883   4.480   7.000
  392   3HG2  THR  55          3HG2      THR  55  -3.551   3.353   6.644
  393    H    ALA  56           HN       ALA  56  -3.241  -0.920   6.277
  394    HA   ALA  56           HA       ALA  56  -2.829  -0.171   3.666
  395   1HB   ALA  56          1HB       ALA  56  -3.152  -3.025   4.660
  396   2HB   ALA  56          2HB       ALA  56  -2.118  -2.439   3.334
  397   3HB   ALA  56          3HB       ALA  56  -1.726  -2.022   5.020
  398    H    CYS  57           HN       CYS  57  -5.543  -2.039   5.138
  399    HA   CYS  57           HA       CYS  57  -7.434  -1.119   3.398
  400   1HB   CYS  57          2HB       CYS  57  -5.776  -2.939   2.016
  401   2HB   CYS  57          3HB       CYS  57  -7.245  -3.825   2.374
  402    HA   PRO  58           HA       PRO  58  -9.689  -3.436   6.316
  403   1HB   PRO  58          2HB       PRO  58 -12.146  -3.675   5.144
  404   2HB   PRO  58          3HB       PRO  58 -11.607  -2.217   5.953
  405   1HG   PRO  58          2HG       PRO  58 -11.848  -2.749   3.055
  406   2HG   PRO  58          3HG       PRO  58 -11.729  -1.208   3.881
  407   1HD   PRO  58          2HD       PRO  58  -9.642  -2.549   2.441
  408   2HD   PRO  58          3HD       PRO  58  -9.493  -1.067   3.365
  409    H    THR  59           HN       THR  59  -7.933  -5.108   5.330
  410    HA   THR  59           HA       THR  59  -7.540  -7.254   4.903
  411    HB   THR  59           HB       THR  59 -10.382  -7.865   5.815
  412    HG1  THR  59           1HG      THR  59  -9.160  -6.086   7.043
  413   1HG2  THR  59          1HG2      THR  59  -9.451  -9.941   6.045
  414   2HG2  THR  59          2HG2      THR  59  -7.850  -9.316   5.581
  415   3HG2  THR  59          3HG2      THR  59  -8.372  -9.252   7.282
  416    H    ASP  60           HN       ASP  60  -9.405  -9.349   4.053
  417    HA   ASP  60           HA       ASP  60 -10.575 -10.017   2.304
  418   1HB   ASP  60          2HB       ASP  60 -11.149  -7.360   2.097
  419   2HB   ASP  60          3HB       ASP  60 -10.169  -7.539   0.655
  420    H    PHE  61           HN       PHE  61  -7.810  -7.762   1.675
  421    HA   PHE  61           HA       PHE  61  -6.833  -9.635  -0.357
  422   1HB   PHE  61          2HB       PHE  61  -6.915  -6.694   0.081
  423   2HB   PHE  61          3HB       PHE  61  -5.294  -7.239  -0.302
  424    HD1  PHE  61           1HD      PHE  61  -7.965  -5.800  -1.754
  425    HD2  PHE  61           2HD      PHE  61  -5.520  -9.226  -2.294
  426    HE1  PHE  61           1HE      PHE  61  -8.556  -5.838  -4.193
  427    HE2  PHE  61           2HE      PHE  61  -6.111  -9.263  -4.734
  428    HZ   PHE  61           HZ       PHE  61  -7.621  -7.568  -5.654
  429    H    LEU  62           HN       LEU  62  -5.243  -7.207   1.822
  430    HA   LEU  62           HA       LEU  62  -2.937  -8.752   2.113
  431   1HB   LEU  62          2HB       LEU  62  -2.219  -7.111   3.615
  432   2HB   LEU  62          3HB       LEU  62  -3.187  -6.283   2.411
  433    HG   LEU  62           HG       LEU  62  -4.841  -7.056   4.660
  434   1HD1  LEU  62          1HD1      LEU  62  -2.165  -6.032   5.308
  435   2HD1  LEU  62          2HD1      LEU  62  -3.499  -5.088   6.012
  436   3HD1  LEU  62          3HD1      LEU  62  -3.376  -6.834   6.337
  437   1HD2  LEU  62          1HD2      LEU  62  -4.843  -4.353   4.654
  438   2HD2  LEU  62          2HD2      LEU  62  -4.245  -4.673   3.009
  439   3HD2  LEU  62          3HD2      LEU  62  -5.802  -5.354   3.537
  440    H    SER  63           HN       SER  63  -2.877  -8.339   5.166
  441    HA   SER  63           HA       SER  63  -3.256  -9.479   6.976
  442   1HB   SER  63          2HB       SER  63  -5.724 -10.608   5.580
  443   2HB   SER  63          3HB       SER  63  -5.388 -10.729   7.296
  444    HG   SER  63           HG       SER  63  -5.204  -8.198   7.031
  445    H    ILE  64           HN       ILE  64  -1.400 -10.488   5.155
  446    HA   ILE  64           HA       ILE  64  -1.802 -13.382   5.452
  447    HB   ILE  64           HB       ILE  64  -0.331 -12.024   3.195
  448   1HG1  ILE  64          2HG1      ILE  64  -3.026 -13.353   2.938
  449   2HG1  ILE  64          3HG1      ILE  64  -2.892 -11.651   3.338
  450   1HG2  ILE  64          1HG2      ILE  64   0.562 -14.176   3.483
  451   2HG2  ILE  64          2HG2      ILE  64  -1.031 -14.891   3.828
  452   3HG2  ILE  64          3HG2      ILE  64  -0.638 -14.347   2.179
  453   1HD1  ILE  64          1HD1      ILE  64  -2.254 -11.079   1.222
  454   2HD1  ILE  64          2HD1      ILE  64  -1.144 -12.464   1.086
  455   3HD1  ILE  64          3HD1      ILE  64  -2.882 -12.681   0.768
  456    H    ARG  65           HN       ARG  65   0.760 -10.875   4.825
  457    HA   ARG  65           HA       ARG  65   2.458 -12.439   6.576
  458   1HB   ARG  65          2HB       ARG  65   2.906 -10.607   4.257
  459   2HB   ARG  65          3HB       ARG  65   4.084 -10.450   5.546
  460   1HG   ARG  65          2HG       ARG  65   4.928 -12.128   4.022
  461   2HG   ARG  65          3HG       ARG  65   4.415 -12.968   5.473
  462   1HD   ARG  65          2HD       ARG  65   2.074 -12.998   4.002
  463   2HD   ARG  65          3HD       ARG  65   3.267 -13.068   2.721
  464    HE   ARG  65           HE       ARG  65   2.684 -15.163   4.665
  465   1HH1  ARG  65          1HH1      ARG  65   5.271 -17.223   3.556
  466   2HH1  ARG  65          2HH1      ARG  65   3.828 -17.135   4.508
  467   1HH2  ARG  65          1HH2      ARG  65   6.045 -15.341   2.441
  468   2HH2  ARG  65          2HH2      ARG  65   5.178 -13.846   2.561
  469    H    VAL  66           HN       VAL  66   2.032 -11.774   8.695
  470    HA   VAL  66           HA       VAL  66   1.213  -9.224   9.420
  471    HB   VAL  66           HB       VAL  66   2.607 -11.436  10.929
  472   1HG1  VAL  66          1HG1      VAL  66   1.311  -9.996  12.853
  473   2HG1  VAL  66          2HG1      VAL  66   3.047  -9.859  12.484
  474   3HG1  VAL  66          3HG1      VAL  66   1.893  -8.699  11.784
  475   1HG2  VAL  66          1HG2      VAL  66  -0.009 -11.181   9.931
  476   2HG2  VAL  66          2HG2      VAL  66   0.592 -12.382  11.099
  477   3HG2  VAL  66          3HG2      VAL  66  -0.134 -10.864  11.678
  478    H    TYR  67           HN       TYR  67   2.304  -7.387  10.230
  479    HA   TYR  67           HA       TYR  67   5.214  -7.452  10.167
  480   1HB   TYR  67          2HB       TYR  67   3.363  -6.320   8.165
  481   2HB   TYR  67          3HB       TYR  67   4.279  -5.025   8.908
  482    HD1  TYR  67           HD1      TYR  67   4.408  -7.900   6.667
  483    HD2  TYR  67           HD2      TYR  67   6.760  -4.965   8.706
  484    HE1  TYR  67           HE1      TYR  67   6.378  -8.410   5.143
  485    HE2  TYR  67           HE2      TYR  67   8.722  -5.484   7.174
  486    HH   TYR  67           HH       TYR  67   9.452  -6.663   5.526
  487    H    LEU  68           HN       LEU  68   2.638  -4.891  10.185
  488    HA   LEU  68           HA       LEU  68   3.738  -3.193  11.932
  489   1HB   LEU  68          2HB       LEU  68   0.837  -4.009  11.743
  490   2HB   LEU  68          3HB       LEU  68   1.412  -2.587  12.591
  491    HG   LEU  68           HG       LEU  68   1.845  -3.081   9.634
  492   1HD1  LEU  68          1HD1      LEU  68   0.074  -1.004   9.789
  493   2HD1  LEU  68          2HD1      LEU  68  -0.352  -2.697   9.442
  494   3HD1  LEU  68          3HD1      LEU  68  -0.492  -2.066  11.100
  495   1HD2  LEU  68          1HD2      LEU  68   1.902  -0.326  10.600
  496   2HD2  LEU  68          2HD2      LEU  68   3.161  -1.345  11.339
  497   3HD2  LEU  68          3HD2      LEU  68   3.052  -1.208   9.568
  498    H    GLY  69           HN       GLY  69   4.741  -3.499  13.843
  499   1HA   GLY  69          1HA       GLY  69   5.144  -4.211  15.934
  500   2HA   GLY  69          2HA       GLY  69   3.422  -4.488  16.103
  501    H    ALA  70           HN       ALA  70   6.395  -5.947  14.621
  502    HA   ALA  70           HA       ALA  70   5.847  -8.455  15.814
  503   1HB   ALA  70          1HB       ALA  70   4.288  -8.104  13.639
  504   2HB   ALA  70          2HB       ALA  70   5.766  -8.688  12.837
  505   3HB   ALA  70          3HB       ALA  70   4.978  -9.684  14.084
  506    H    GLU  71           HN       GLU  71   7.395  -6.866  12.934
  507    HA   GLU  71           HA       GLU  71   9.544  -8.408  12.650
  508   1HB   GLU  71          2HB       GLU  71  10.741  -6.375  11.831
  509   2HB   GLU  71          3HB       GLU  71   9.104  -6.482  11.217
  510   1HG   GLU  71          2HG       GLU  71   8.485  -5.013  13.331
  511   2HG   GLU  71          3HG       GLU  71  10.197  -4.641  13.366
  512    H    THR  72           HN       THR  72   9.112  -5.807  15.121
  513    HA   THR  72           HA       THR  72  10.501  -5.146  16.782
  514    HB   THR  72           HB       THR  72  10.674  -7.002  18.465
  515    HG1  THR  72           1HG      THR  72   9.602  -8.598  16.266
  516   1HG2  THR  72          1HG2      THR  72   8.172  -8.001  17.582
  517   2HG2  THR  72          2HG2      THR  72   8.425  -6.666  18.732
  518   3HG2  THR  72          3HG2      THR  72   8.221  -6.321  16.997
  519    H    THR  73           HN       THR  73  12.156  -4.669  14.959
  520    HA   THR  73           HA       THR  73  14.551  -6.299  15.497
  521    HB   THR  73           HB       THR  73  13.738  -6.443  13.150
  522    HG1  THR  73           1HG      THR  73  15.853  -6.067  12.503
  523   1HG2  THR  73          1HG2      THR  73  13.133  -3.666  13.514
  524   2HG2  THR  73          2HG2      THR  73  14.468  -3.743  12.339
  525   3HG2  THR  73          3HG2      THR  73  12.952  -4.619  12.022
  526    H    ARG  74           HN       ARG  74  13.068  -3.087  15.481
  527    HA   ARG  74           HA       ARG  74  15.640  -1.927  16.072
  528   1HB   ARG  74          2HB       ARG  74  14.450   0.244  15.909
  529   2HB   ARG  74          3HB       ARG  74  14.118  -0.739  14.498
  530   1HG   ARG  74          2HG       ARG  74  12.237  -1.015  16.830
  531   2HG   ARG  74          3HG       ARG  74  12.155   0.476  15.915
  532   1HD   ARG  74          2HD       ARG  74  11.074  -0.551  14.196
  533   2HD   ARG  74          3HD       ARG  74  12.313  -1.786  14.078
  534    HE   ARG  74           HE       ARG  74  10.972  -3.230  15.348
  535   1HH1  ARG  74          1HH1      ARG  74   7.947  -2.651  16.989
  536   2HH1  ARG  74          2HH1      ARG  74   9.083  -3.852  16.473
  537   1HH2  ARG  74          1HH2      ARG  74   8.345  -0.409  16.538
  538   2HH2  ARG  74          2HH2      ARG  74   9.777   0.062  15.685
  539    H    SER  75           HN       SER  75  12.728  -3.111  17.615
  540    HA   SER  75           HA       SER  75  13.605  -1.856  20.099
  541   1HB   SER  75          2HB       SER  75  11.185  -1.438  18.935
  542   2HB   SER  75          3HB       SER  75  10.798  -2.877  19.855
  543    HG   SER  75           HG       SER  75  10.718  -0.480  20.815
  544    H    MET  76           HN       MET  76  13.963  -4.603  18.452
  545    HA   MET  76           HA       MET  76  12.889  -6.710  19.576
  546   1HB   MET  76          2HB       MET  76  14.611  -7.117  17.986
  547   2HB   MET  76          3HB       MET  76  15.752  -6.066  18.802
  548   1HG   MET  76          2HG       MET  76  15.979  -7.720  20.653
  549   2HG   MET  76          3HG       MET  76  14.797  -8.762  19.886
  550   1HE   MET  76          1HE       MET  76  15.099 -10.350  18.685
  551   2HE   MET  76          2HE       MET  76  15.806 -10.134  17.066
  552   3HE   MET  76          3HE       MET  76  16.668 -11.093  18.293
  553    H    GLY  77           HN       GLY  77  15.827  -5.109  21.019
  554   1HA   GLY  77          1HA       GLY  77  14.932  -5.128  23.647
  555   2HA   GLY  77          2HA       GLY  77  15.760  -6.652  23.394
  556    H    LEU  78           HN       LEU  78  16.467  -3.466  21.838
  557    HA   LEU  78           HA       LEU  78  19.134  -3.633  23.049
  558   1HB   LEU  78          2HB       LEU  78  18.496  -1.952  20.660
  559   2HB   LEU  78          3HB       LEU  78  20.024  -2.649  21.161
  560    HG   LEU  78           HG       LEU  78  17.735  -3.932  19.704
  561   1HD1  LEU  78          1HD1      LEU  78  20.692  -4.274  19.225
  562   2HD1  LEU  78          2HD1      LEU  78  19.334  -4.505  18.096
  563   3HD1  LEU  78          3HD1      LEU  78  19.796  -2.864  18.610
  564   1HD2  LEU  78          1HD2      LEU  78  19.442  -5.234  21.732
  565   2HD2  LEU  78          2HD2      LEU  78  17.855  -5.707  21.080
  566   3HD2  LEU  78          3HD2      LEU  78  19.337  -6.074  20.167
  567    H    ALA  79           HN       ALA  79  16.971  -1.031  21.720
  568    HA   ALA  79           HA       ALA  79  17.912   0.732  23.806
  569   1HB   ALA  79          1HB       ALA  79  17.580   2.191  22.132
  570   2HB   ALA  79          2HB       ALA  79  16.783   0.939  21.151
  571   3HB   ALA  79          3HB       ALA  79  15.828   1.921  22.288
  572    H    TYR  80           HN       TYR  80  14.933  -1.031  22.823
  573    HA   TYR  80           HA       TYR  80  13.000   0.008  24.305
  574   1HB   TYR  80          2HB       TYR  80  12.093  -2.203  24.165
  575   2HB   TYR  80          3HB       TYR  80  13.366  -2.287  22.962
  576    HD1  TYR  80           HD1      TYR  80  15.741  -2.459  24.875
  577    HD2  TYR  80           HD2      TYR  80  11.973  -4.483  24.810
  578    HE1  TYR  80           HE1      TYR  80  16.770  -4.428  26.109
  579    HE2  TYR  80           HE2      TYR  80  13.015  -6.446  26.044
  580    HH   TYR  80           HH       TYR  80  15.638  -7.319  26.146
  Start of MODEL    4
    1    H    SER   1           HN       SER   1  -6.117  -2.651   9.090
    2    HA   SER   1           HA       SER   1  -3.665  -2.079   8.926
    3   1HB   SER   1          2HB       SER   1  -4.962  -2.909  11.556
    4   2HB   SER   1          3HB       SER   1  -3.449  -2.030  11.473
    5    HG   SER   1           HG       SER   1  -6.021  -1.153  10.472
    6    H    HIS   2           HN       HIS   2  -3.030  -4.238   7.689
    7    HA   HIS   2           HA       HIS   2  -1.486  -5.825   9.601
    8   1HB   HIS   2          2HB       HIS   2  -3.105  -6.840   7.253
    9   2HB   HIS   2          3HB       HIS   2  -1.887  -7.795   8.076
   10    HD1  HIS   2           HD1      HIS   2  -5.361  -6.420   8.486
   11    HD2  HIS   2           HD2      HIS   2  -2.604  -8.702  10.673
   12    HE1  HIS   2           HE1      HIS   2  -6.656  -7.422  10.442
   13    H    SER   3           HN       SER   3   0.060  -7.327   7.931
   14    HA   SER   3           HA       SER   3   2.080  -5.793   7.240
   15   1HB   SER   3          2HB       SER   3   2.901  -7.583   5.889
   16   2HB   SER   3          3HB       SER   3   1.877  -8.341   7.093
   17    HG   SER   3           HG       SER   3   1.562  -8.186   4.312
   18    H    VAL   4           HN       VAL   4   2.896  -4.721   5.309
   19    HA   VAL   4           HA       VAL   4   0.719  -3.842   3.553
   20    HB   VAL   4           HB       VAL   4   3.332  -2.603   4.412
   21   1HG1  VAL   4          1HG1      VAL   4   3.451  -1.404   2.537
   22   2HG1  VAL   4          2HG1      VAL   4   2.070  -2.312   1.875
   23   3HG1  VAL   4          3HG1      VAL   4   1.793  -0.810   2.790
   24   1HG2  VAL   4          1HG2      VAL   4   0.865  -1.021   4.547
   25   2HG2  VAL   4          2HG2      VAL   4   0.808  -2.501   5.534
   26   3HG2  VAL   4          3HG2      VAL   4   2.110  -1.313   5.785
   27    H    LYS   5           HN       LYS   5   4.314  -4.405   3.392
   28    HA   LYS   5           HA       LYS   5   5.544  -4.939   1.589
   29   1HB   LYS   5          2HB       LYS   5   3.641  -7.297   1.596
   30   2HB   LYS   5          3HB       LYS   5   5.290  -7.280   1.009
   31   1HG   LYS   5          2HG       LYS   5   4.324  -7.015   3.880
   32   2HG   LYS   5          3HG       LYS   5   5.400  -8.226   3.212
   33   1HD   LYS   5          2HD       LYS   5   6.048  -5.253   3.492
   34   2HD   LYS   5          3HD       LYS   5   6.640  -6.522   4.545
   35   1HE   LYS   5          2HE       LYS   5   7.637  -7.628   2.427
   36   2HE   LYS   5          3HE       LYS   5   7.269  -6.135   1.587
   37   1HZ   LYS   5          1HZ       LYS   5   8.511  -5.285   3.805
   38   2HZ   LYS   5          2HZ       LYS   5   9.320  -6.667   3.484
   39   3HZ   LYS   5          3HZ       LYS   5   9.229  -5.492   2.353
   40    H    ILE   6           HN       ILE   6   4.704  -6.610  -0.708
   41    HA   ILE   6           HA       ILE   6   3.253  -4.506  -2.148
   42    HB   ILE   6           HB       ILE   6   4.365  -5.962  -4.103
   43   1HG1  ILE   6          2HG1      ILE   6   5.420  -7.451  -2.307
   44   2HG1  ILE   6          3HG1      ILE   6   6.458  -6.864  -3.592
   45   1HG2  ILE   6          1HG2      ILE   6   5.092  -3.521  -2.623
   46   2HG2  ILE   6          2HG2      ILE   6   6.412  -4.240  -3.576
   47   3HG2  ILE   6          3HG2      ILE   6   4.882  -3.796  -4.369
   48   1HD1  ILE   6          1HD1      ILE   6   6.316  -5.010  -1.289
   49   2HD1  ILE   6          2HD1      ILE   6   6.976  -6.611  -0.877
   50   3HD1  ILE   6          3HD1      ILE   6   7.738  -5.638  -2.157
   51    H    TYR   7           HN       TYR   7   1.196  -4.929  -2.729
   52    HA   TYR   7           HA       TYR   7   0.475  -7.571  -3.597
   53   1HB   TYR   7          2HB       TYR   7  -0.632  -6.191  -1.074
   54   2HB   TYR   7          3HB       TYR   7  -1.401  -7.585  -1.808
   55    HD1  TYR   7           HD1      TYR   7   0.598  -9.509  -2.353
   56    HD2  TYR   7           HD2      TYR   7   0.466  -6.723   0.891
   57    HE1  TYR   7           HE1      TYR   7   2.072 -11.045  -0.965
   58    HE2  TYR   7           HE2      TYR   7   1.940  -8.269   2.268
   59    HH   TYR   7           HH       TYR   7   2.310 -11.307   1.787
   60    H    ASP   8           HN       ASP   8  -1.676  -7.622  -4.587
   61    HA   ASP   8           HA       ASP   8  -2.308  -5.022  -5.624
   62   1HB   ASP   8          2HB       ASP   8  -3.861  -6.327  -7.119
   63   2HB   ASP   8          3HB       ASP   8  -2.193  -6.854  -7.216
   64    H    THR   9           HN       THR   9  -2.905  -5.319  -2.833
   65    HA   THR   9           HA       THR   9  -5.777  -5.863  -2.716
   66    HB   THR   9           HB       THR   9  -4.164  -6.904  -1.064
   67    HG1  THR   9           1HG      THR   9  -6.506  -5.989  -0.719
   68   1HG2  THR   9          1HG2      THR   9  -2.727  -5.643   0.202
   69   2HG2  THR   9          2HG2      THR   9  -3.035  -4.324  -0.953
   70   3HG2  THR   9          3HG2      THR   9  -3.990  -4.437   0.543
   71    H    CYS  10           HN       CYS  10  -6.717  -4.114  -3.767
   72    HA   CYS  10           HA       CYS  10  -6.680  -1.710  -2.171
   73   1HB   CYS  10          2HB       CYS  10  -4.868  -1.388  -3.879
   74   2HB   CYS  10          3HB       CYS  10  -6.074  -1.556  -5.140
   75    H    ILE  11           HN       ILE  11  -8.670  -0.502  -2.455
   76    HA   ILE  11           HA       ILE  11 -10.656  -1.947  -4.068
   77    HB   ILE  11           HB       ILE  11 -12.317  -1.263  -2.442
   78   1HG1  ILE  11          2HG1      ILE  11 -11.184  -0.423  -0.167
   79   2HG1  ILE  11          3HG1      ILE  11 -10.037   0.280  -1.289
   80   1HG2  ILE  11          1HG2      ILE  11 -11.610  -2.696  -0.574
   81   2HG2  ILE  11          2HG2      ILE  11 -11.238  -3.422  -2.156
   82   3HG2  ILE  11          3HG2      ILE  11  -9.942  -2.671  -1.193
   83   1HD1  ILE  11          1HD1      ILE  11 -11.641   1.984  -1.129
   84   2HD1  ILE  11          2HD1      ILE  11 -12.203   1.108  -2.574
   85   3HD1  ILE  11          3HD1      ILE  11 -12.994   0.834  -1.002
   86    H    GLY  12           HN       GLY  12  -9.482   1.245  -2.869
   87   1HA   GLY  12          1HA       GLY  12  -9.354   2.794  -4.902
   88   2HA   GLY  12          2HA       GLY  12 -11.088   2.550  -4.969
   89    H    CYS  13           HN       CYS  13  -8.910   2.868  -2.087
   90    HA   CYS  13           HA       CYS  13 -10.546   5.174  -1.317
   91   1HB   CYS  13          2HB       CYS  13 -10.643   4.430   0.813
   92   2HB   CYS  13          3HB       CYS  13 -10.321   2.868   0.086
   93    H    THR  14           HN       THR  14  -9.055   6.507   0.455
   94    HA   THR  14           HA       THR  14  -6.559   7.055  -0.997
   95    HB   THR  14           HB       THR  14  -6.826   9.316   0.159
   96    HG1  THR  14           1HG      THR  14  -8.237   8.224   1.847
   97   1HG2  THR  14          1HG2      THR  14  -8.937   8.179  -1.696
   98   2HG2  THR  14          2HG2      THR  14  -9.195   9.792  -0.989
   99   3HG2  THR  14          3HG2      THR  14  -7.764   9.483  -2.002
  100    H    GLN  15           HN       GLN  15  -7.853   5.680   1.892
  101    HA   GLN  15           HA       GLN  15  -5.901   6.421   3.691
  102   1HB   GLN  15          2HB       GLN  15  -7.107   5.091   5.071
  103   2HB   GLN  15          3HB       GLN  15  -8.162   4.794   3.702
  104   1HG   GLN  15          2HG       GLN  15  -6.724   2.839   3.040
  105   2HG   GLN  15          3HG       GLN  15  -5.711   3.125   4.441
  106   1HE2  GLN  15          1HE2      GLN  15  -6.688   0.730   4.336
  107   2HE2  GLN  15          2HE2      GLN  15  -8.013   0.460   5.419
  108    H    CYS  16           HN       CYS  16  -3.890   5.502   4.321
  109    HA   CYS  16           HA       CYS  16  -2.166   4.064   4.230
  110   1HB   CYS  16          2HB       CYS  16  -2.234   2.069   3.168
  111   2HB   CYS  16          3HB       CYS  16  -3.930   2.460   2.954
  112    H    VAL  17           HN       VAL  17  -3.484   5.527   1.210
  113    HA   VAL  17           HA       VAL  17  -0.793   6.111   0.286
  114    HB   VAL  17           HB       VAL  17  -3.444   6.813  -0.978
  115   1HG1  VAL  17          1HG1      VAL  17  -0.740   7.384  -1.659
  116   2HG1  VAL  17          2HG1      VAL  17  -1.350   6.197  -2.836
  117   3HG1  VAL  17          3HG1      VAL  17  -2.215   7.734  -2.591
  118   1HG2  VAL  17          1HG2      VAL  17  -3.648   4.499  -0.802
  119   2HG2  VAL  17          2HG2      VAL  17  -2.880   4.701  -2.395
  120   3HG2  VAL  17          3HG2      VAL  17  -1.899   4.226  -0.988
  121    H    ARG  18           HN       ARG  18  -1.960   7.284   2.817
  122    HA   ARG  18           HA       ARG  18  -1.625  10.048   1.982
  123   1HB   ARG  18          2HB       ARG  18  -3.937   8.844   3.275
  124   2HB   ARG  18          3HB       ARG  18  -3.216  10.000   4.376
  125   1HG   ARG  18          2HG       ARG  18  -4.844  11.181   3.001
  126   2HG   ARG  18          3HG       ARG  18  -3.244  11.727   2.538
  127   1HD   ARG  18          2HD       ARG  18  -3.673   9.509   0.865
  128   2HD   ARG  18          3HD       ARG  18  -5.253  10.261   0.945
  129    HE   ARG  18           HE       ARG  18  -2.992  11.277  -0.484
  130   1HH1  ARG  18          1HH1      ARG  18  -4.155  14.551  -0.805
  131   2HH1  ARG  18          2HH1      ARG  18  -3.029  13.374  -1.393
  132   1HH2  ARG  18          1HH2      ARG  18  -5.623  14.001   0.906
  133   2HH2  ARG  18          2HH2      ARG  18  -5.594  12.413   1.594
  134    H    ALA  19           HN       ALA  19  -1.724   7.763   4.815
  135    HA   ALA  19           HA       ALA  19   0.024   9.423   6.352
  136   1HB   ALA  19          1HB       ALA  19  -0.166   7.625   7.997
  137   2HB   ALA  19          2HB       ALA  19  -1.772   7.983   7.317
  138   3HB   ALA  19          3HB       ALA  19  -0.876   6.544   6.774
  139    H    CYS  20           HN       CYS  20   1.841   9.672   4.882
  140    HA   CYS  20           HA       CYS  20   3.889   7.883   5.402
  141   1HB   CYS  20          2HB       CYS  20   2.549   6.429   3.810
  142   2HB   CYS  20          3HB       CYS  20   2.912   7.587   2.547
  143    HA   PRO  21           HA       PRO  21   5.032  11.971   3.942
  144   1HB   PRO  21          2HB       PRO  21   6.938  12.466   5.838
  145   2HB   PRO  21          3HB       PRO  21   5.254  12.915   6.030
  146   1HG   PRO  21          2HG       PRO  21   6.735  10.689   7.294
  147   2HG   PRO  21          3HG       PRO  21   5.211  11.409   7.777
  148   1HD   PRO  21          2HD       PRO  21   5.574   8.909   6.421
  149   2HD   PRO  21          3HD       PRO  21   4.048   9.683   6.800
  150    H    LEU  22           HN       LEU  22   7.240   9.436   4.961
  151    HA   LEU  22           HA       LEU  22   9.401  10.348   3.450
  152   1HB   LEU  22          2HB       LEU  22   8.649   7.587   4.415
  153   2HB   LEU  22          3HB       LEU  22  10.190   7.985   3.681
  154    HG   LEU  22           HG       LEU  22   9.841   9.863   5.756
  155   1HD1  LEU  22          1HD1      LEU  22   8.066   8.492   6.699
  156   2HD1  LEU  22          2HD1      LEU  22   9.133   7.066   6.684
  157   3HD1  LEU  22          3HD1      LEU  22   9.511   8.451   7.738
  158   1HD2  LEU  22          1HD2      LEU  22  11.998   9.140   5.183
  159   2HD2  LEU  22          2HD2      LEU  22  11.715   8.475   6.809
  160   3HD2  LEU  22          3HD2      LEU  22  11.575   7.422   5.380
  161    H    ASP  23           HN       ASP  23   8.139   7.145   2.585
  162    HA   ASP  23           HA       ASP  23   6.777   7.729   0.324
  163   1HB   ASP  23          2HB       ASP  23   9.484   8.451  -0.040
  164   2HB   ASP  23          3HB       ASP  23   9.356   6.890  -0.825
  165    H    VAL  24           HN       VAL  24   5.743   5.755   0.993
  166    HA   VAL  24           HA       VAL  24   7.349   3.346   0.518
  167    HB   VAL  24           HB       VAL  24   5.358   3.808   2.749
  168   1HG1  VAL  24          1HG1      VAL  24   5.546   1.469   1.598
  169   2HG1  VAL  24          2HG1      VAL  24   7.092   1.363   2.474
  170   3HG1  VAL  24          3HG1      VAL  24   5.572   1.582   3.374
  171   1HG2  VAL  24          1HG2      VAL  24   7.489   4.924   3.181
  172   2HG2  VAL  24          2HG2      VAL  24   7.296   3.511   4.247
  173   3HG2  VAL  24          3HG2      VAL  24   8.369   3.417   2.829
  174    H    LEU  25           HN       LEU  25   3.908   4.221   1.302
  175    HA   LEU  25           HA       LEU  25   2.956   2.331  -0.597
  176   1HB   LEU  25          2HB       LEU  25   1.499   4.513   0.901
  177   2HB   LEU  25          3HB       LEU  25   0.755   3.188   0.026
  178    HG   LEU  25           HG       LEU  25   2.461   1.887   1.785
  179   1HD1  LEU  25          1HD1      LEU  25   2.203   2.823   3.954
  180   2HD1  LEU  25          2HD1      LEU  25   2.819   4.118   2.899
  181   3HD1  LEU  25          3HD1      LEU  25   1.099   4.084   3.355
  182   1HD2  LEU  25          1HD2      LEU  25   0.424   1.186   2.915
  183   2HD2  LEU  25          2HD2      LEU  25  -0.475   2.528   2.170
  184   3HD2  LEU  25          3HD2      LEU  25   0.183   1.224   1.152
  185    H    GLU  26           HN       GLU  26   3.748   2.811  -2.659
  186    HA   GLU  26           HA       GLU  26   2.858   5.397  -3.677
  187   1HB   GLU  26          2HB       GLU  26   5.210   3.680  -4.590
  188   2HB   GLU  26          3HB       GLU  26   4.703   5.165  -5.368
  189   1HG   GLU  26          2HG       GLU  26   5.185   5.286  -2.402
  190   2HG   GLU  26          3HG       GLU  26   6.596   5.101  -3.424
  191    H    MET  27           HN       MET  27   3.121   4.916  -6.434
  192    HA   MET  27           HA       MET  27   0.926   3.073  -6.776
  193   1HB   MET  27          2HB       MET  27   0.793   4.148  -9.050
  194   2HB   MET  27          3HB       MET  27   0.762   5.345  -7.770
  195   1HG   MET  27          2HG       MET  27   2.621   6.339  -8.613
  196   2HG   MET  27          3HG       MET  27   3.528   4.849  -8.438
  197   1HE   MET  27          1HE       MET  27   1.819   6.901 -11.929
  198   2HE   MET  27          2HE       MET  27   2.310   7.407 -10.295
  199   3HE   MET  27          3HE       MET  27   3.546   7.073 -11.533
  200    H    VAL  28           HN       VAL  28   1.046   1.135  -7.902
  201    HA   VAL  28           HA       VAL  28   3.623   0.558  -9.189
  202    HB   VAL  28           HB       VAL  28   3.801  -1.479  -8.157
  203   1HG1  VAL  28          1HG1      VAL  28   3.693   0.624  -6.536
  204   2HG1  VAL  28          2HG1      VAL  28   2.306  -0.267  -5.865
  205   3HG1  VAL  28          3HG1      VAL  28   3.914  -1.028  -5.909
  206   1HG2  VAL  28          1HG2      VAL  28   0.856  -1.418  -8.166
  207   2HG2  VAL  28          2HG2      VAL  28   1.979  -2.785  -8.360
  208   3HG2  VAL  28          3HG2      VAL  28   1.566  -2.196  -6.732
  209    HA   PRO  29           HA       PRO  29   1.263  -0.929 -12.493
  210   1HB   PRO  29          2HB       PRO  29   2.557  -3.177 -13.351
  211   2HB   PRO  29          3HB       PRO  29   3.111  -1.555 -13.714
  212   1HG   PRO  29          2HG       PRO  29   4.205  -3.497 -11.771
  213   2HG   PRO  29          3HG       PRO  29   4.970  -2.074 -12.450
  214   1HD   PRO  29          2HD       PRO  29   3.851  -2.333  -9.821
  215   2HD   PRO  29          3HD       PRO  29   4.511  -0.877 -10.541
  216    H    TRP  30           HN       TRP  30  -0.805  -1.507 -12.374
  217    HA   TRP  30           HA       TRP  30  -1.242  -4.255 -11.468
  218   1HB   TRP  30          2HB       TRP  30  -1.598  -2.864  -9.513
  219   2HB   TRP  30          3HB       TRP  30  -2.683  -1.819 -10.408
  220    HD1  TRP  30           HD1      TRP  30  -5.170  -2.366  -9.867
  221    HE1  TRP  30           HE1      TRP  30  -6.648  -4.447  -9.198
  222    HE3  TRP  30           HE3      TRP  30  -1.378  -5.752  -9.960
  223    HZ2  TRP  30           HZ2      TRP  30  -6.078  -7.214  -8.795
  224    HZ3  TRP  30           HZ3      TRP  30  -1.924  -8.122  -9.417
  225    HH2  TRP  30           HH2      TRP  30  -4.180  -8.873  -8.848
  226    H    ASP  31           HN       ASP  31  -3.755  -4.733 -11.954
  227    HA   ASP  31           HA       ASP  31  -4.518  -3.303 -14.355
  228   1HB   ASP  31          2HB       ASP  31  -3.211  -5.600 -14.709
  229   2HB   ASP  31          3HB       ASP  31  -4.744  -6.322 -14.265
  230    H    GLY  32           HN       GLY  32  -5.871  -2.631 -12.214
  231   1HA   GLY  32          1HA       GLY  32  -8.405  -4.044 -12.400
  232   2HA   GLY  32          2HA       GLY  32  -7.620  -4.098 -10.835
  233    H    CYS  33           HN       CYS  33  -6.311  -1.426 -11.121
  234    HA   CYS  33           HA       CYS  33  -8.490   0.102 -10.142
  235   1HB   CYS  33          2HB       CYS  33  -5.650   0.208 -10.004
  236   2HB   CYS  33          3HB       CYS  33  -6.178   1.728 -10.697
  237    HG   CYS  33           HG       CYS  33  -6.358   0.546  -7.763
  238    H    LYS  34           HN       LYS  34  -8.745   2.480 -11.082
  239    HA   LYS  34           HA       LYS  34  -9.661   2.205 -13.723
  240   1HB   LYS  34          2HB       LYS  34 -10.125   3.918 -11.619
  241   2HB   LYS  34          3HB       LYS  34  -9.241   4.946 -12.728
  242   1HG   LYS  34          2HG       LYS  34 -11.492   3.208 -13.778
  243   2HG   LYS  34          3HG       LYS  34 -11.872   4.708 -12.955
  244   1HD   LYS  34          2HD       LYS  34 -10.494   5.989 -14.554
  245   2HD   LYS  34          3HD       LYS  34  -9.956   4.510 -15.326
  246   1HE   LYS  34          2HE       LYS  34 -11.708   4.816 -16.755
  247   2HE   LYS  34          3HE       LYS  34 -12.713   4.218 -15.450
  248   1HZ   LYS  34          1HZ       LYS  34 -12.416   6.889 -16.421
  249   2HZ   LYS  34          2HZ       LYS  34 -13.681   6.192 -15.657
  250   3HZ   LYS  34          3HZ       LYS  34 -12.426   6.779 -14.791
  251    H    ALA  35           HN       ALA  35  -6.563   3.074 -12.300
  252    HA   ALA  35           HA       ALA  35  -5.635   3.869 -14.977
  253   1HB   ALA  35          1HB       ALA  35  -5.363   5.717 -13.496
  254   2HB   ALA  35          2HB       ALA  35  -4.770   4.675 -12.180
  255   3HB   ALA  35          3HB       ALA  35  -3.755   4.961 -13.614
  256    H    GLY  36           HN       GLY  36  -6.065   1.115 -13.730
  257   1HA   GLY  36          1HA       GLY  36  -4.934  -0.816 -13.387
  258   2HA   GLY  36          2HA       GLY  36  -4.044  -0.297 -14.805
  259    H    GLN  37           HN       GLN  37  -4.134   0.934 -11.383
  260    HA   GLN  37           HA       GLN  37  -1.405   0.079 -11.073
  261   1HB   GLN  37          2HB       GLN  37  -0.710   2.386 -10.283
  262   2HB   GLN  37          3HB       GLN  37  -1.003   2.262 -12.007
  263   1HG   GLN  37          2HG       GLN  37  -2.483   3.969 -11.823
  264   2HG   GLN  37          3HG       GLN  37  -3.531   2.907 -10.906
  265   1HE2  GLN  37          1HE2      GLN  37  -3.946   3.338  -8.861
  266   2HE2  GLN  37          2HE2      GLN  37  -3.146   4.511  -7.869
  267    H    ILE  38           HN       ILE  38  -1.275  -0.873  -9.089
  268    HA   ILE  38           HA       ILE  38  -3.322  -0.156  -7.138
  269    HB   ILE  38           HB       ILE  38  -2.823  -2.539  -7.971
  270   1HG1  ILE  38          2HG1      ILE  38  -2.855  -3.057  -5.211
  271   2HG1  ILE  38          3HG1      ILE  38  -3.599  -1.479  -5.381
  272   1HG2  ILE  38          1HG2      ILE  38  -1.106  -3.637  -6.372
  273   2HG2  ILE  38          2HG2      ILE  38  -0.523  -2.797  -7.828
  274   3HG2  ILE  38          3HG2      ILE  38  -0.425  -1.998  -6.240
  275   1HD1  ILE  38          1HD1      ILE  38  -4.383  -3.858  -7.119
  276   2HD1  ILE  38          2HD1      ILE  38  -5.192  -3.466  -5.583
  277   3HD1  ILE  38          3HD1      ILE  38  -5.251  -2.314  -6.938
  278    H    ALA  39           HN       ALA  39  -2.841   0.648  -5.086
  279    HA   ALA  39           HA       ALA  39  -0.302   1.975  -4.907
  280   1HB   ALA  39          1HB       ALA  39  -2.491   2.996  -4.239
  281   2HB   ALA  39          2HB       ALA  39  -2.597   1.813  -2.914
  282   3HB   ALA  39          3HB       ALA  39  -1.281   3.010  -2.934
  283    H    SER  40           HN       SER  40   1.443   0.686  -4.465
  284    HA   SER  40           HA       SER  40   1.181  -0.933  -2.065
  285   1HB   SER  40          2HB       SER  40   2.574  -1.800  -4.638
  286   2HB   SER  40          3HB       SER  40   2.600  -2.697  -3.132
  287    HG   SER  40           HG       SER  40   0.927  -3.271  -4.868
  288    H    SER  41           HN       SER  41   3.752  -1.813  -1.709
  289    HA   SER  41           HA       SER  41   5.288   0.665  -1.845
  290   1HB   SER  41          2HB       SER  41   5.646  -1.490   0.269
  291   2HB   SER  41          3HB       SER  41   6.262   0.151   0.294
  292    HG   SER  41           HG       SER  41   3.982   0.882   0.365
  293    HA   PRO  42           HA       PRO  42   7.631  -2.390  -4.173
  294   1HB   PRO  42          2HB       PRO  42   8.489  -0.708  -6.148
  295   2HB   PRO  42          3HB       PRO  42   7.020  -1.655  -6.268
  296   1HG   PRO  42          2HG       PRO  42   7.319   1.240  -5.753
  297   2HG   PRO  42          3HG       PRO  42   5.902   0.362  -6.293
  298   1HD   PRO  42          2HD       PRO  42   6.403   1.355  -3.649
  299   2HD   PRO  42          3HD       PRO  42   5.042   0.377  -4.161
  300    H    ARG  43           HN       ARG  43   8.913   0.908  -4.167
  301    HA   ARG  43           HA       ARG  43  11.409  -0.259  -3.315
  302   1HB   ARG  43          2HB       ARG  43  10.801   2.638  -4.090
  303   2HB   ARG  43          3HB       ARG  43  12.395   1.932  -3.901
  304   1HG   ARG  43          2HG       ARG  43  10.346   0.927  -5.931
  305   2HG   ARG  43          3HG       ARG  43  11.572   2.120  -6.312
  306   1HD   ARG  43          2HD       ARG  43  12.966   0.388  -6.791
  307   2HD   ARG  43          3HD       ARG  43  13.039   0.069  -5.069
  308    HE   ARG  43           HE       ARG  43  11.522  -1.730  -5.334
  309   1HH1  ARG  43          1HH1      ARG  43  10.193  -3.033  -8.285
  310   2HH1  ARG  43          2HH1      ARG  43  10.436  -3.299  -6.590
  311   1HH2  ARG  43          1HH2      ARG  43  10.972  -1.085  -9.278
  312   2HH2  ARG  43          2HH2      ARG  43  11.796   0.103  -8.325
  313    H    THR  44           HN       THR  44  10.611  -0.719  -1.088
  314    HA   THR  44           HA       THR  44   9.975   1.617   0.530
  315    HB   THR  44           HB       THR  44  10.100  -1.374   1.190
  316    HG1  THR  44           1HG      THR  44   8.057  -1.322   0.303
  317   1HG2  THR  44          1HG2      THR  44   9.059   1.099   2.625
  318   2HG2  THR  44          2HG2      THR  44   8.274  -0.479   2.873
  319   3HG2  THR  44          3HG2      THR  44   9.990  -0.263   3.295
  320    H    GLU  45           HN       GLU  45  12.698   1.162  -0.737
  321    HA   GLU  45           HA       GLU  45  14.494   0.293   1.122
  322   1HB   GLU  45          2HB       GLU  45  16.159   1.436  -0.170
  323   2HB   GLU  45          3HB       GLU  45  14.913   0.950  -1.304
  324   1HG   GLU  45          2HG       GLU  45  13.952   3.198  -1.328
  325   2HG   GLU  45          3HG       GLU  45  14.983   3.711  -0.007
  326    H    ASP  46           HN       ASP  46  12.643   3.313   0.974
  327    HA   ASP  46           HA       ASP  46  14.192   4.289   3.237
  328   1HB   ASP  46          2HB       ASP  46  12.482   5.634   1.125
  329   2HB   ASP  46          3HB       ASP  46  12.753   6.443   2.655
  330    H    CYS  47           HN       CYS  47  13.172   4.000   5.225
  331    HA   CYS  47           HA       CYS  47  10.764   4.841   5.965
  332   1HB   CYS  47          2HB       CYS  47   9.433   3.618   4.496
  333   2HB   CYS  47          3HB       CYS  47  10.446   2.191   4.580
  334    H    VAL  48           HN       VAL  48  11.199   4.880   8.142
  335    HA   VAL  48           HA       VAL  48  12.718   2.621   9.232
  336    HB   VAL  48           HB       VAL  48  13.346   4.192  11.013
  337   1HG1  VAL  48          1HG1      VAL  48  14.921   5.497   9.726
  338   2HG1  VAL  48          2HG1      VAL  48  14.733   3.901   8.959
  339   3HG1  VAL  48          3HG1      VAL  48  13.928   5.326   8.257
  340   1HG2  VAL  48          1HG2      VAL  48  11.183   5.725   9.995
  341   2HG2  VAL  48          2HG2      VAL  48  12.248   6.099  11.372
  342   3HG2  VAL  48          3HG2      VAL  48  12.666   6.678   9.741
  343    H    GLY  49           HN       GLY  49  10.066   2.055   8.756
  344   1HA   GLY  49          1HA       GLY  49   8.090   1.535   9.719
  345   2HA   GLY  49          2HA       GLY  49   9.092   1.084  11.083
  346    H    CYS  50           HN       CYS  50   7.604   4.015   9.537
  347    HA   CYS  50           HA       CYS  50   7.468   5.223  12.182
  348   1HB   CYS  50          2HB       CYS  50   7.529   7.259  11.181
  349   2HB   CYS  50          3HB       CYS  50   8.280   6.349   9.885
  350    H    LYS  51           HN       LYS  51   5.542   5.192  13.304
  351    HA   LYS  51           HA       LYS  51   3.338   3.795  12.302
  352   1HB   LYS  51          2HB       LYS  51   3.850   3.926  14.676
  353   2HB   LYS  51          3HB       LYS  51   3.615   5.661  14.675
  354   1HG   LYS  51          2HG       LYS  51   1.217   4.999  13.660
  355   2HG   LYS  51          3HG       LYS  51   1.556   3.466  14.439
  356   1HD   LYS  51          2HD       LYS  51   1.423   4.352  16.577
  357   2HD   LYS  51          3HD       LYS  51   2.078   5.905  16.097
  358   1HE   LYS  51          2HE       LYS  51   0.000   6.742  15.424
  359   2HE   LYS  51          3HE       LYS  51  -0.623   5.161  14.994
  360   1HZ   LYS  51          1HZ       LYS  51  -0.698   4.649  17.366
  361   2HZ   LYS  51          2HZ       LYS  51  -0.209   6.165  17.724
  362   3HZ   LYS  51          3HZ       LYS  51  -1.645   5.924  16.985
  363    H    ARG  52           HN       ARG  52   2.299   4.478  10.482
  364    HA   ARG  52           HA       ARG  52   0.877   6.923  10.712
  365   1HB   ARG  52          2HB       ARG  52   3.378   7.061   9.431
  366   2HB   ARG  52          3HB       ARG  52   2.257   6.894   8.094
  367   1HG   ARG  52          2HG       ARG  52   2.325   9.230   8.417
  368   2HG   ARG  52          3HG       ARG  52   0.867   8.770   9.273
  369   1HD   ARG  52          2HD       ARG  52   2.000   8.855  11.427
  370   2HD   ARG  52          3HD       ARG  52   3.572   8.998  10.668
  371    HE   ARG  52           HE       ARG  52   1.676  11.138   9.954
  372   1HH1  ARG  52          1HH1      ARG  52   3.494  13.526  11.735
  373   2HH1  ARG  52          2HH1      ARG  52   2.221  13.264  10.591
  374   1HH2  ARG  52          1HH2      ARG  52   4.647  11.717  12.622
  375   2HH2  ARG  52          2HH2      ARG  52   4.234  10.105  12.139
  376    H    CYS  53           HN       CYS  53   2.052   4.343   8.435
  377    HA   CYS  53           HA       CYS  53  -0.223   4.387   6.815
  378   1HB   CYS  53          2HB       CYS  53   0.642   1.954   6.292
  379   2HB   CYS  53          3HB       CYS  53   1.538   3.361   5.758
  380    H    GLU  54           HN       GLU  54   0.681   1.381   8.553
  381    HA   GLU  54           HA       GLU  54  -0.657  -0.150   9.406
  382   1HB   GLU  54          2HB       GLU  54  -0.678   2.256  11.138
  383   2HB   GLU  54          3HB       GLU  54  -1.970   1.126  11.491
  384   1HG   GLU  54          2HG       GLU  54  -0.401  -0.698  11.839
  385   2HG   GLU  54          3HG       GLU  54   0.932   0.240  11.196
  386    H    THR  55           HN       THR  55  -1.891   0.989   7.097
  387    HA   THR  55           HA       THR  55  -4.595   0.245   7.593
  388    HB   THR  55           HB       THR  55  -4.451   2.666   8.455
  389    HG1  THR  55           1HG      THR  55  -6.535   2.302   7.793
  390   1HG2  THR  55          1HG2      THR  55  -3.415   4.177   7.078
  391   2HG2  THR  55          2HG2      THR  55  -3.365   3.010   5.734
  392   3HG2  THR  55          3HG2      THR  55  -4.819   4.002   5.998
  393    H    ALA  56           HN       ALA  56  -2.652  -0.927   6.030
  394    HA   ALA  56           HA       ALA  56  -2.563   0.032   3.406
  395   1HB   ALA  56          1HB       ALA  56  -0.935  -1.545   3.856
  396   2HB   ALA  56          2HB       ALA  56  -2.030  -2.556   4.829
  397   3HB   ALA  56          3HB       ALA  56  -2.140  -2.579   3.053
  398    H    CYS  57           HN       CYS  57  -4.839  -2.154   5.144
  399    HA   CYS  57           HA       CYS  57  -7.046  -1.462   3.757
  400   1HB   CYS  57          2HB       CYS  57  -5.362  -2.977   2.013
  401   2HB   CYS  57          3HB       CYS  57  -6.747  -3.974   2.411
  402    HA   PRO  58           HA       PRO  58  -8.615  -4.500   6.472
  403   1HB   PRO  58          2HB       PRO  58 -10.783  -5.616   5.237
  404   2HB   PRO  58          3HB       PRO  58 -10.821  -4.039   5.998
  405   1HG   PRO  58          2HG       PRO  58 -10.737  -4.704   3.120
  406   2HG   PRO  58          3HG       PRO  58 -11.197  -3.196   3.885
  407   1HD   PRO  58          2HD       PRO  58  -8.714  -3.762   2.565
  408   2HD   PRO  58          3HD       PRO  58  -9.130  -2.297   3.431
  409    H    THR  59           HN       THR  59  -9.595  -6.925   6.674
  410    HA   THR  59           HA       THR  59  -7.337  -8.497   5.860
  411    HB   THR  59           HB       THR  59  -9.952  -9.102   7.335
  412    HG1  THR  59           1HG      THR  59  -8.127  -7.625   8.161
  413   1HG2  THR  59          1HG2      THR  59  -9.355 -11.305   7.273
  414   2HG2  THR  59          2HG2      THR  59  -7.940 -10.912   6.268
  415   3HG2  THR  59          3HG2      THR  59  -7.809 -10.871   8.042
  416    H    ASP  60           HN       ASP  60 -10.124  -7.446   4.259
  417    HA   ASP  60           HA       ASP  60 -11.139  -9.586   3.021
  418   1HB   ASP  60          2HB       ASP  60 -10.893  -6.746   2.495
  419   2HB   ASP  60          3HB       ASP  60 -10.684  -7.605   0.981
  420    H    PHE  61           HN       PHE  61  -7.900  -8.214   2.752
  421    HA   PHE  61           HA       PHE  61  -7.264 -10.233   0.731
  422   1HB   PHE  61          2HB       PHE  61  -7.026  -7.253   0.717
  423   2HB   PHE  61          3HB       PHE  61  -5.516  -8.051   0.326
  424    HD1  PHE  61           1HD      PHE  61  -5.547  -9.774  -1.576
  425    HD2  PHE  61           2HD      PHE  61  -8.685  -6.996  -0.911
  426    HE1  PHE  61           1HE      PHE  61  -6.328 -10.089  -3.940
  427    HE2  PHE  61           2HE      PHE  61  -9.466  -7.312  -3.275
  428    HZ   PHE  61           HZ       PHE  61  -8.278  -8.854  -4.762
  429    H    LEU  62           HN       LEU  62  -5.753  -7.714   2.885
  430    HA   LEU  62           HA       LEU  62  -3.317  -8.892   3.185
  431   1HB   LEU  62          2HB       LEU  62  -5.002  -7.188   4.993
  432   2HB   LEU  62          3HB       LEU  62  -3.436  -7.771   5.521
  433    HG   LEU  62           HG       LEU  62  -3.168  -5.553   4.676
  434   1HD1  LEU  62          1HD1      LEU  62  -2.134  -7.364   2.486
  435   2HD1  LEU  62          2HD1      LEU  62  -1.426  -5.847   3.095
  436   3HD1  LEU  62          3HD1      LEU  62  -1.432  -7.302   4.121
  437   1HD2  LEU  62          1HD2      LEU  62  -4.021  -4.684   2.726
  438   2HD2  LEU  62          2HD2      LEU  62  -4.114  -6.270   1.925
  439   3HD2  LEU  62          3HD2      LEU  62  -5.302  -5.836   3.177
  440    H    SER  63           HN       SER  63  -2.633 -10.830   3.909
  441    HA   SER  63           HA       SER  63  -3.261 -11.940   6.267
  442   1HB   SER  63          2HB       SER  63  -5.513 -12.216   4.534
  443   2HB   SER  63          3HB       SER  63  -4.784 -13.806   4.637
  444    HG   SER  63           HG       SER  63  -6.067 -12.272   6.633
  445    H    ILE  64           HN       ILE  64  -0.985 -11.678   4.739
  446    HA   ILE  64           HA       ILE  64  -0.399 -14.470   4.073
  447    HB   ILE  64           HB       ILE  64   0.514 -12.069   2.485
  448   1HG1  ILE  64          2HG1      ILE  64  -1.907 -12.588   2.207
  449   2HG1  ILE  64          3HG1      ILE  64  -0.964 -12.763   0.740
  450   1HG2  ILE  64          1HG2      ILE  64   2.161 -13.398   1.810
  451   2HG2  ILE  64          2HG2      ILE  64   1.484 -14.792   2.686
  452   3HG2  ILE  64          3HG2      ILE  64   0.929 -14.422   1.036
  453   1HD1  ILE  64          1HD1      ILE  64  -1.464 -14.970   0.573
  454   2HD1  ILE  64          2HD1      ILE  64  -1.015 -15.268   2.270
  455   3HD1  ILE  64          3HD1      ILE  64  -2.654 -14.700   1.869
  456    H    ARG  65           HN       ARG  65   1.026 -11.181   4.670
  457    HA   ARG  65           HA       ARG  65   3.336 -12.441   5.775
  458   1HB   ARG  65          2HB       ARG  65   2.642  -9.836   4.709
  459   2HB   ARG  65          3HB       ARG  65   3.296  -9.606   6.318
  460   1HG   ARG  65          2HG       ARG  65   5.124  -9.559   4.674
  461   2HG   ARG  65          3HG       ARG  65   5.301 -10.963   5.707
  462   1HD   ARG  65          2HD       ARG  65   3.653 -11.449   3.273
  463   2HD   ARG  65          3HD       ARG  65   5.321 -11.028   2.936
  464    HE   ARG  65           HE       ARG  65   4.364 -13.459   4.301
  465   1HH1  ARG  65          1HH1      ARG  65   7.593 -14.764   4.518
  466   2HH1  ARG  65          2HH1      ARG  65   5.903 -15.101   4.698
  467   1HH2  ARG  65          1HH2      ARG  65   8.293 -12.647   3.874
  468   2HH2  ARG  65          2HH2      ARG  65   7.125 -11.403   3.574
  469    H    VAL  66           HN       VAL  66   0.800 -10.086   6.918
  470    HA   VAL  66           HA       VAL  66   0.080  -9.561   8.946
  471    HB   VAL  66           HB       VAL  66   0.549 -12.518   9.371
  472   1HG1  VAL  66          1HG1      VAL  66  -1.647 -11.312  10.869
  473   2HG1  VAL  66          2HG1      VAL  66  -0.333 -12.377  11.423
  474   3HG1  VAL  66          3HG1      VAL  66  -0.068 -10.620  11.313
  475   1HG2  VAL  66          1HG2      VAL  66  -2.106 -12.297   9.027
  476   2HG2  VAL  66          2HG2      VAL  66  -1.579 -10.918   8.032
  477   3HG2  VAL  66          3HG2      VAL  66  -0.974 -12.554   7.676
  478    H    TYR  67           HN       TYR  67   2.282  -8.349   8.953
  479    HA   TYR  67           HA       TYR  67   3.782  -9.301  11.300
  480   1HB   TYR  67          2HB       TYR  67   5.780  -8.694  10.115
  481   2HB   TYR  67          3HB       TYR  67   4.787  -9.334   8.820
  482    HD1  TYR  67           HD1      TYR  67   4.543  -8.073   6.883
  483    HD2  TYR  67           HD2      TYR  67   5.486  -6.073  10.546
  484    HE1  TYR  67           HE1      TYR  67   4.766  -5.870   5.632
  485    HE2  TYR  67           HE2      TYR  67   5.705  -3.878   9.283
  486    HH   TYR  67           HH       TYR  67   4.669  -3.564   6.021
  487    H    LEU  68           HN       LEU  68   2.522  -6.548   9.361
  488    HA   LEU  68           HA       LEU  68   3.454  -4.393  10.599
  489   1HB   LEU  68          2HB       LEU  68   1.255  -5.023   9.014
  490   2HB   LEU  68          3HB       LEU  68   0.556  -4.234  10.414
  491    HG   LEU  68           HG       LEU  68   0.896  -2.479   8.944
  492   1HD1  LEU  68          1HD1      LEU  68   2.242  -1.036  10.085
  493   2HD1  LEU  68          2HD1      LEU  68   2.154  -2.355  11.276
  494   3HD1  LEU  68          3HD1      LEU  68   3.579  -2.203  10.221
  495   1HD2  LEU  68          1HD2      LEU  68   3.545  -2.472   8.044
  496   2HD2  LEU  68          2HD2      LEU  68   3.002  -4.160   7.883
  497   3HD2  LEU  68          3HD2      LEU  68   2.081  -2.851   7.103
  498    H    GLY  69           HN       GLY  69   4.028  -4.253  12.721
  499   1HA   GLY  69          1HA       GLY  69   3.856  -4.277  14.963
  500   2HA   GLY  69          2HA       GLY  69   2.211  -3.728  14.708
  501    H    ALA  70           HN       ALA  70   4.049  -6.843  14.260
  502    HA   ALA  70           HA       ALA  70   2.078  -8.131  15.985
  503   1HB   ALA  70          1HB       ALA  70   2.481  -8.568  13.070
  504   2HB   ALA  70          2HB       ALA  70   2.389 -10.039  14.068
  505   3HB   ALA  70          3HB       ALA  70   1.050  -8.867  14.086
  506    H    GLU  71           HN       GLU  71   4.927  -8.881  13.845
  507    HA   GLU  71           HA       GLU  71   5.917 -10.712  15.751
  508   1HB   GLU  71          2HB       GLU  71   6.444  -9.986  13.017
  509   2HB   GLU  71          3HB       GLU  71   7.963  -9.906  13.887
  510   1HG   GLU  71          2HG       GLU  71   7.693 -12.179  13.063
  511   2HG   GLU  71          3HG       GLU  71   7.527 -12.214  14.807
  512    H    THR  72           HN       THR  72   8.645 -10.303  15.962
  513    HA   THR  72           HA       THR  72   8.979  -7.594  17.019
  514    HB   THR  72           HB       THR  72   9.910  -8.624  19.135
  515    HG1  THR  72           1HG      THR  72   8.705 -10.956  17.815
  516   1HG2  THR  72          1HG2      THR  72   7.836  -8.923  20.172
  517   2HG2  THR  72          2HG2      THR  72   7.283  -8.141  18.673
  518   3HG2  THR  72          3HG2      THR  72   7.200  -9.911  18.835
  519    H    THR  73           HN       THR  73   9.966  -8.188  14.608
  520    HA   THR  73           HA       THR  73  12.523  -9.444  14.747
  521    HB   THR  73           HB       THR  73  11.132  -9.409  12.692
  522    HG1  THR  73           1HG      THR  73  12.927  -8.355  11.373
  523   1HG2  THR  73          1HG2      THR  73  11.371  -6.417  13.115
  524   2HG2  THR  73          2HG2      THR  73  11.343  -7.051  11.452
  525   3HG2  THR  73          3HG2      THR  73   9.972  -7.357  12.544
  526    H    ARG  74           HN       ARG  74  11.287  -6.189  15.329
  527    HA   ARG  74           HA       ARG  74  13.945  -5.122  15.172
  528   1HB   ARG  74          2HB       ARG  74  12.845  -2.949  15.672
  529   2HB   ARG  74          3HB       ARG  74  12.027  -3.768  14.355
  530   1HG   ARG  74          2HG       ARG  74  10.885  -4.598  16.914
  531   2HG   ARG  74          3HG       ARG  74  10.880  -2.849  16.793
  532   1HD   ARG  74          2HD       ARG  74   9.817  -4.693  14.599
  533   2HD   ARG  74          3HD       ARG  74   8.805  -3.985  15.843
  534    HE   ARG  74           HE       ARG  74   9.960  -2.601  13.538
  535   1HH1  ARG  74          1HH1      ARG  74   8.676   0.495  14.505
  536   2HH1  ARG  74          2HH1      ARG  74   9.407  -0.408  13.221
  537   1HH2  ARG  74          1HH2      ARG  74   8.257  -0.525  16.547
  538   2HH2  ARG  74          2HH2      ARG  74   8.676  -2.188  16.788
  539    H    SER  75           HN       SER  75  11.771  -6.546  17.491
  540    HA   SER  75           HA       SER  75  13.327  -5.386  19.665
  541   1HB   SER  75          2HB       SER  75  10.524  -5.727  19.325
  542   2HB   SER  75          3HB       SER  75  10.993  -6.907  20.532
  543    HG   SER  75           HG       SER  75  12.256  -4.930  21.470
  544    H    MET  76           HN       MET  76  13.360  -7.987  17.654
  545    HA   MET  76           HA       MET  76  13.186 -10.275  18.928
  546   1HB   MET  76          2HB       MET  76  14.860  -9.152  16.805
  547   2HB   MET  76          3HB       MET  76  15.790 -10.339  17.699
  548   1HG   MET  76          2HG       MET  76  12.965 -10.957  16.743
  549   2HG   MET  76          3HG       MET  76  14.346 -11.177  15.687
  550   1HE   MET  76          1HE       MET  76  14.065 -14.672  16.205
  551   2HE   MET  76          2HE       MET  76  12.554 -14.130  16.974
  552   3HE   MET  76          3HE       MET  76  13.181 -13.277  15.543
  553    H    GLY  77           HN       GLY  77  15.873  -7.906  19.383
  554   1HA   GLY  77          1HA       GLY  77  16.388  -8.994  22.016
  555   2HA   GLY  77          2HA       GLY  77  17.680  -9.247  20.858
  556    H    LEU  78           HN       LEU  78  15.497  -6.426  20.676
  557    HA   LEU  78           HA       LEU  78  17.808  -4.715  21.031
  558   1HB   LEU  78          2HB       LEU  78  16.757  -3.813  19.292
  559   2HB   LEU  78          3HB       LEU  78  15.232  -4.591  19.671
  560    HG   LEU  78           HG       LEU  78  15.124  -2.113  19.660
  561   1HD1  LEU  78          1HD1      LEU  78  14.494  -2.514  22.461
  562   2HD1  LEU  78          2HD1      LEU  78  13.412  -2.272  21.067
  563   3HD1  LEU  78          3HD1      LEU  78  13.986  -3.907  21.476
  564   1HD2  LEU  78          1HD2      LEU  78  16.189  -1.451  22.180
  565   2HD2  LEU  78          2HD2      LEU  78  17.452  -2.380  21.337
  566   3HD2  LEU  78          3HD2      LEU  78  16.758  -0.927  20.577
  567    H    ALA  79           HN       ALA  79  14.797  -5.690  22.666
  568    HA   ALA  79           HA       ALA  79  15.720  -4.173  24.992
  569   1HB   ALA  79          1HB       ALA  79  13.053  -3.902  25.278
  570   2HB   ALA  79          2HB       ALA  79  14.053  -2.697  24.431
  571   3HB   ALA  79          3HB       ALA  79  13.142  -3.911  23.500
  572    H    TYR  80           HN       TYR  80  13.510  -6.687  23.617
  573    HA   TYR  80           HA       TYR  80  13.386  -7.986  26.210
  574   1HB   TYR  80          2HB       TYR  80  12.346  -9.055  23.549
  575   2HB   TYR  80          3HB       TYR  80  11.591  -9.180  25.126
  576    HD1  TYR  80           HD1      TYR  80  11.590  -6.331  26.002
  577    HD2  TYR  80           HD2      TYR  80  10.711  -8.068  22.193
  578    HE1  TYR  80           HE1      TYR  80  10.095  -4.353  25.437
  579    HE2  TYR  80           HE2      TYR  80   9.219  -6.084  21.641
  580    HH   TYR  80           HH       TYR  80   7.871  -4.402  23.048
  Start of MODEL    5
    1    H    SER   1           HN       SER   1  -5.548  -4.519   9.106
    2    HA   SER   1           HA       SER   1  -3.980  -2.258   9.164
    3   1HB   SER   1          2HB       SER   1  -5.985  -1.972  11.043
    4   2HB   SER   1          3HB       SER   1  -4.723  -2.714  12.007
    5    HG   SER   1           HG       SER   1  -3.766  -0.674  10.347
    6    H    HIS   2           HN       HIS   2  -2.855  -4.298   8.358
    7    HA   HIS   2           HA       HIS   2  -1.231  -5.314  10.455
    8   1HB   HIS   2          2HB       HIS   2  -2.216  -7.678   9.147
    9   2HB   HIS   2          3HB       HIS   2  -2.132  -7.303  10.857
   10    HD1  HIS   2           HD1      HIS   2  -4.471  -7.024   7.881
   11    HD2  HIS   2           HD2      HIS   2  -4.550  -6.582  12.051
   12    HE1  HIS   2           HE1      HIS   2  -6.928  -6.801   8.529
   13    H    SER   3           HN       SER   3   0.765  -5.207   9.568
   14    HA   SER   3           HA       SER   3   2.383  -5.253   8.125
   15   1HB   SER   3          2HB       SER   3   2.189  -7.553   7.746
   16   2HB   SER   3          3HB       SER   3   0.594  -7.415   7.035
   17    HG   SER   3           HG       SER   3   3.145  -6.811   5.833
   18    H    VAL   4           HN       VAL   4   3.111  -4.433   5.969
   19    HA   VAL   4           HA       VAL   4   0.984  -3.287   4.343
   20    HB   VAL   4           HB       VAL   4   1.547  -1.604   6.039
   21   1HG1  VAL   4          1HG1      VAL   4   4.344  -2.096   5.038
   22   2HG1  VAL   4          2HG1      VAL   4   3.891  -0.502   5.689
   23   3HG1  VAL   4          3HG1      VAL   4   3.745  -1.954   6.708
   24   1HG2  VAL   4          1HG2      VAL   4   1.918  -1.235   3.132
   25   2HG2  VAL   4          2HG2      VAL   4   0.858  -0.377   4.277
   26   3HG2  VAL   4          3HG2      VAL   4   2.575   0.076   4.144
   27    H    LYS   5           HN       LYS   5   2.566  -5.585   3.851
   28    HA   LYS   5           HA       LYS   5   4.910  -4.938   2.423
   29   1HB   LYS   5          2HB       LYS   5   3.382  -7.301   3.138
   30   2HB   LYS   5          3HB       LYS   5   3.924  -7.393   1.474
   31   1HG   LYS   5          2HG       LYS   5   5.810  -6.573   3.721
   32   2HG   LYS   5          3HG       LYS   5   5.544  -8.258   3.316
   33   1HD   LYS   5          2HD       LYS   5   6.371  -6.198   1.226
   34   2HD   LYS   5          3HD       LYS   5   7.546  -7.087   2.173
   35   1HE   LYS   5          2HE       LYS   5   6.858  -9.202   1.256
   36   2HE   LYS   5          3HE       LYS   5   5.363  -8.538   0.629
   37   1HZ   LYS   5          1HZ       LYS   5   8.066  -8.195  -0.392
   38   2HZ   LYS   5          2HZ       LYS   5   6.701  -8.584  -1.199
   39   3HZ   LYS   5          3HZ       LYS   5   6.948  -7.048  -0.707
   40    H    ILE   6           HN       ILE   6   4.881  -5.987  -0.049
   41    HA   ILE   6           HA       ILE   6   3.229  -4.086  -1.456
   42    HB   ILE   6           HB       ILE   6   5.424  -5.976  -2.290
   43   1HG1  ILE   6          2HG1      ILE   6   6.307  -3.512  -2.902
   44   2HG1  ILE   6          3HG1      ILE   6   5.250  -3.090  -1.569
   45   1HG2  ILE   6          1HG2      ILE   6   4.726  -3.976  -4.269
   46   2HG2  ILE   6          2HG2      ILE   6   4.928  -5.736  -4.443
   47   3HG2  ILE   6          3HG2      ILE   6   3.358  -5.066  -3.937
   48   1HD1  ILE   6          1HD1      ILE   6   7.588  -3.591  -0.822
   49   2HD1  ILE   6          2HD1      ILE   6   6.393  -4.687  -0.087
   50   3HD1  ILE   6          3HD1      ILE   6   7.404  -5.251  -1.439
   51    H    TYR   7           HN       TYR   7   1.176  -4.561  -2.006
   52    HA   TYR   7           HA       TYR   7   0.642  -7.141  -3.199
   53   1HB   TYR   7          2HB       TYR   7  -0.734  -5.992  -0.691
   54   2HB   TYR   7          3HB       TYR   7  -1.315  -7.403  -1.553
   55    HD1  TYR   7           HD1      TYR   7   0.095  -6.640   1.376
   56    HD2  TYR   7           HD2      TYR   7   1.031  -9.016  -2.058
   57    HE1  TYR   7           HE1      TYR   7   1.582  -8.130   2.803
   58    HE2  TYR   7           HE2      TYR   7   2.515 -10.497  -0.620
   59    HH   TYR   7           HH       TYR   7   2.343 -10.649   2.584
   60    H    ASP   8           HN       ASP   8  -1.520  -7.204  -4.243
   61    HA   ASP   8           HA       ASP   8  -2.110  -4.595  -5.254
   62   1HB   ASP   8          2HB       ASP   8  -3.468  -5.761  -6.896
   63   2HB   ASP   8          3HB       ASP   8  -1.969  -6.650  -6.710
   64    H    THR   9           HN       THR   9  -2.752  -4.806  -2.492
   65    HA   THR   9           HA       THR   9  -5.578  -5.450  -2.296
   66    HB   THR   9           HB       THR   9  -3.929  -6.126  -0.528
   67    HG1  THR   9           1HG      THR   9  -5.712  -5.727   0.719
   68   1HG2  THR   9          1HG2      THR   9  -3.018  -3.412  -0.832
   69   2HG2  THR   9          2HG2      THR   9  -3.746  -3.547   0.787
   70   3HG2  THR   9          3HG2      THR   9  -2.419  -4.635   0.314
   71    H    CYS  10           HN       CYS  10  -6.574  -3.931  -3.667
   72    HA   CYS  10           HA       CYS  10  -6.905  -1.389  -2.367
   73   1HB   CYS  10          2HB       CYS  10  -4.918  -1.306  -4.124
   74   2HB   CYS  10          3HB       CYS  10  -6.226  -1.203  -5.284
   75    H    ILE  11           HN       ILE  11  -9.088  -0.931  -2.470
   76    HA   ILE  11           HA       ILE  11 -10.615  -2.371  -4.523
   77    HB   ILE  11           HB       ILE  11 -12.392  -2.552  -3.039
   78   1HG1  ILE  11          2HG1      ILE  11 -12.333  -0.180  -2.271
   79   2HG1  ILE  11          3HG1      ILE  11 -12.703  -1.337  -1.008
   80   1HG2  ILE  11          1HG2      ILE  11 -11.296  -3.408  -0.871
   81   2HG2  ILE  11          2HG2      ILE  11 -10.852  -4.186  -2.409
   82   3HG2  ILE  11          3HG2      ILE  11  -9.752  -3.004  -1.659
   83   1HD1  ILE  11          1HD1      ILE  11 -10.045  -1.297  -0.653
   84   2HD1  ILE  11          2HD1      ILE  11 -10.213   0.302  -1.418
   85   3HD1  ILE  11          3HD1      ILE  11 -11.095  -0.063   0.085
   86    H    GLY  12           HN       GLY  12  -9.452   0.689  -3.468
   87   1HA   GLY  12          1HA       GLY  12  -9.759   2.465  -5.100
   88   2HA   GLY  12          2HA       GLY  12 -11.456   2.033  -5.183
   89    H    CYS  13           HN       CYS  13  -9.354   2.239  -2.245
   90    HA   CYS  13           HA       CYS  13 -11.180   4.319  -1.285
   91   1HB   CYS  13          2HB       CYS  13 -11.360   3.240   0.664
   92   2HB   CYS  13          3HB       CYS  13 -10.617   1.862  -0.125
   93    H    THR  14           HN       THR  14  -9.960   5.761   0.467
   94    HA   THR  14           HA       THR  14  -7.285   6.361  -0.618
   95    HB   THR  14           HB       THR  14  -8.928   8.095  -1.212
   96    HG1  THR  14           1HG      THR  14  -7.792   9.272   1.109
   97   1HG2  THR  14          1HG2      THR  14 -10.066   9.386   0.612
   98   2HG2  THR  14          2HG2      THR  14 -10.640   7.702   0.559
   99   3HG2  THR  14          3HG2      THR  14  -9.469   8.205   1.803
  100    H    GLN  15           HN       GLN  15  -7.101   4.421   1.143
  101    HA   GLN  15           HA       GLN  15  -6.244   5.855   3.523
  102   1HB   GLN  15          2HB       GLN  15  -7.395   4.513   4.983
  103   2HB   GLN  15          3HB       GLN  15  -8.479   4.329   3.618
  104   1HG   GLN  15          2HG       GLN  15  -7.178   2.273   2.917
  105   2HG   GLN  15          3HG       GLN  15  -6.195   2.438   4.360
  106   1HE2  GLN  15          1HE2      GLN  15  -7.070   0.225   4.640
  107   2HE2  GLN  15          2HE2      GLN  15  -8.558   0.021   5.503
  108    H    CYS  16           HN       CYS  16  -4.296   5.068   4.474
  109    HA   CYS  16           HA       CYS  16  -2.548   3.674   4.722
  110   1HB   CYS  16          2HB       CYS  16  -2.426   1.599   3.824
  111   2HB   CYS  16          3HB       CYS  16  -4.103   1.903   3.415
  112    H    VAL  17           HN       VAL  17  -3.560   4.959   1.528
  113    HA   VAL  17           HA       VAL  17  -0.791   5.471   0.809
  114    HB   VAL  17           HB       VAL  17  -3.274   6.177  -0.745
  115   1HG1  VAL  17          1HG1      VAL  17  -1.644   5.700  -2.667
  116   2HG1  VAL  17          2HG1      VAL  17  -1.371   7.179  -1.714
  117   3HG1  VAL  17          3HG1      VAL  17  -0.361   5.740  -1.432
  118   1HG2  VAL  17          1HG2      VAL  17  -3.592   3.867  -0.277
  119   2HG2  VAL  17          2HG2      VAL  17  -2.903   3.951  -1.916
  120   3HG2  VAL  17          3HG2      VAL  17  -1.870   3.501  -0.539
  121    H    ARG  18           HN       ARG  18  -2.001   6.778   3.181
  122    HA   ARG  18           HA       ARG  18  -1.725   9.500   2.200
  123   1HB   ARG  18          2HB       ARG  18  -3.957   8.288   3.698
  124   2HB   ARG  18          3HB       ARG  18  -3.296   9.672   4.544
  125   1HG   ARG  18          2HG       ARG  18  -4.939  10.621   3.118
  126   2HG   ARG  18          3HG       ARG  18  -3.433  10.930   2.276
  127   1HD   ARG  18          2HD       ARG  18  -4.237   8.360   1.383
  128   2HD   ARG  18          3HD       ARG  18  -5.720   9.293   1.437
  129    HE   ARG  18           HE       ARG  18  -3.890  11.007   0.218
  130   1HH1  ARG  18          1HH1      ARG  18  -4.002   9.836  -3.068
  131   2HH1  ARG  18          2HH1      ARG  18  -3.595  11.172  -2.042
  132   1HH2  ARG  18          1HH2      ARG  18  -4.845   7.880  -2.146
  133   2HH2  ARG  18          2HH2      ARG  18  -5.067   7.755  -0.433
  134    H    ALA  19           HN       ALA  19  -1.743   7.353   5.138
  135    HA   ALA  19           HA       ALA  19   0.009   9.145   6.545
  136   1HB   ALA  19          1HB       ALA  19  -1.912   7.505   7.387
  137   2HB   ALA  19          2HB       ALA  19  -0.572   6.335   7.435
  138   3HB   ALA  19          3HB       ALA  19  -0.479   7.834   8.389
  139    H    CYS  20           HN       CYS  20   1.944   9.288   5.350
  140    HA   CYS  20           HA       CYS  20   3.852   7.373   5.897
  141   1HB   CYS  20          2HB       CYS  20   2.615   5.958   4.272
  142   2HB   CYS  20          3HB       CYS  20   2.871   7.168   3.031
  143    HA   PRO  21           HA       PRO  21   5.355  11.388   4.626
  144   1HB   PRO  21          2HB       PRO  21   7.323  11.599   6.510
  145   2HB   PRO  21          3HB       PRO  21   5.687  12.172   6.765
  146   1HG   PRO  21          2HG       PRO  21   6.994   9.754   7.854
  147   2HG   PRO  21          3HG       PRO  21   5.544  10.565   8.412
  148   1HD   PRO  21          2HD       PRO  21   5.675   8.136   6.892
  149   2HD   PRO  21          3HD       PRO  21   4.226   9.009   7.352
  150    H    LEU  22           HN       LEU  22   7.297   8.571   5.376
  151    HA   LEU  22           HA       LEU  22   9.590   9.325   4.058
  152   1HB   LEU  22          2HB       LEU  22   8.289   6.669   4.588
  153   2HB   LEU  22          3HB       LEU  22   9.794   6.776   3.697
  154    HG   LEU  22           HG       LEU  22  10.249   6.279   6.012
  155   1HD1  LEU  22          1HD1      LEU  22  11.172   9.027   6.211
  156   2HD1  LEU  22          2HD1      LEU  22  12.093   7.521   5.985
  157   3HD1  LEU  22          3HD1      LEU  22  11.410   8.365   4.576
  158   1HD2  LEU  22          1HD2      LEU  22   9.476   7.447   7.859
  159   2HD2  LEU  22          2HD2      LEU  22   9.089   8.903   6.912
  160   3HD2  LEU  22          3HD2      LEU  22   8.064   7.454   6.775
  161    H    ASP  23           HN       ASP  23   8.076   6.594   2.456
  162    HA   ASP  23           HA       ASP  23   6.899   7.889   0.345
  163   1HB   ASP  23          2HB       ASP  23   8.618   7.627  -1.431
  164   2HB   ASP  23          3HB       ASP  23   9.135   8.763  -0.202
  165    H    VAL  24           HN       VAL  24   6.534   5.574   2.029
  166    HA   VAL  24           HA       VAL  24   6.965   3.378   0.123
  167    HB   VAL  24           HB       VAL  24   7.081   3.577   3.098
  168   1HG1  VAL  24          1HG1      VAL  24   5.600   1.881   3.309
  169   2HG1  VAL  24          2HG1      VAL  24   5.747   1.398   1.602
  170   3HG1  VAL  24          3HG1      VAL  24   6.971   0.875   2.784
  171   1HG2  VAL  24          1HG2      VAL  24   9.145   2.646   2.867
  172   2HG2  VAL  24          2HG2      VAL  24   8.645   1.596   1.518
  173   3HG2  VAL  24          3HG2      VAL  24   8.995   3.317   1.225
  174    H    LEU  25           HN       LEU  25   5.013   4.240  -1.007
  175    HA   LEU  25           HA       LEU  25   2.826   2.774  -0.717
  176   1HB   LEU  25          2HB       LEU  25   2.885   4.793   1.424
  177   2HB   LEU  25          3HB       LEU  25   1.387   4.737   0.516
  178    HG   LEU  25           HG       LEU  25   2.462   2.121   1.437
  179   1HD1  LEU  25          1HD1      LEU  25   2.870   2.941   3.506
  180   2HD1  LEU  25          2HD1      LEU  25   1.799   4.345   3.289
  181   3HD1  LEU  25          3HD1      LEU  25   1.108   2.748   3.668
  182   1HD2  LEU  25          1HD2      LEU  25   0.058   3.108   0.377
  183   2HD2  LEU  25          2HD2      LEU  25   0.391   1.467   0.982
  184   3HD2  LEU  25          3HD2      LEU  25  -0.295   2.695   2.072
  185    H    GLU  26           HN       GLU  26   3.725   3.453  -2.946
  186    HA   GLU  26           HA       GLU  26   2.249   5.833  -3.769
  187   1HB   GLU  26          2HB       GLU  26   4.773   4.723  -5.072
  188   2HB   GLU  26          3HB       GLU  26   3.940   6.202  -5.511
  189   1HG   GLU  26          2HG       GLU  26   4.463   6.319  -2.680
  190   2HG   GLU  26          3HG       GLU  26   5.945   5.807  -3.464
  191    H    MET  27           HN       MET  27   2.433   5.472  -6.570
  192    HA   MET  27           HA       MET  27   0.577   3.300  -6.840
  193   1HB   MET  27          2HB       MET  27   1.636   5.392  -8.824
  194   2HB   MET  27          3HB       MET  27   0.335   4.273  -9.179
  195   1HG   MET  27          2HG       MET  27  -0.836   6.210  -8.503
  196   2HG   MET  27          3HG       MET  27  -0.823   5.252  -7.036
  197   1HE   MET  27          1HE       MET  27  -1.329   8.362  -6.709
  198   2HE   MET  27          2HE       MET  27  -1.243   7.075  -5.484
  199   3HE   MET  27          3HE       MET  27  -0.289   8.563  -5.280
  200    H    VAL  28           HN       VAL  28   0.865   1.429  -8.109
  201    HA   VAL  28           HA       VAL  28   3.495   1.136  -9.365
  202    HB   VAL  28           HB       VAL  28   3.950  -0.864  -8.314
  203   1HG1  VAL  28          1HG1      VAL  28   4.059  -0.378  -6.035
  204   2HG1  VAL  28          2HG1      VAL  28   3.870   1.229  -6.774
  205   3HG1  VAL  28          3HG1      VAL  28   2.470   0.424  -6.025
  206   1HG2  VAL  28          1HG2      VAL  28   1.673  -1.840  -8.740
  207   2HG2  VAL  28          2HG2      VAL  28   2.391  -2.294  -7.176
  208   3HG2  VAL  28          3HG2      VAL  28   1.117  -1.052  -7.244
  209    HA   PRO  29           HA       PRO  29   1.267  -0.760 -12.550
  210   1HB   PRO  29          2HB       PRO  29   2.830  -2.839 -13.388
  211   2HB   PRO  29          3HB       PRO  29   3.150  -1.169 -13.812
  212   1HG   PRO  29          2HG       PRO  29   4.551  -2.884 -11.854
  213   2HG   PRO  29          3HG       PRO  29   5.096  -1.392 -12.595
  214   1HD   PRO  29          2HD       PRO  29   4.097  -1.717  -9.926
  215   2HD   PRO  29          3HD       PRO  29   4.533  -0.210 -10.705
  216    H    TRP  30           HN       TRP  30  -0.703  -1.591 -12.318
  217    HA   TRP  30           HA       TRP  30  -0.728  -4.273 -11.112
  218   1HB   TRP  30          2HB       TRP  30  -1.580  -2.627  -9.532
  219   2HB   TRP  30          3HB       TRP  30  -2.722  -2.034 -10.721
  220    HD1  TRP  30           HD1      TRP  30  -5.088  -2.903 -10.060
  221    HE1  TRP  30           HE1      TRP  30  -6.213  -5.121  -9.178
  222    HE3  TRP  30           HE3      TRP  30  -0.768  -5.554  -9.650
  223    HZ2  TRP  30           HZ2      TRP  30  -5.193  -7.678  -8.425
  224    HZ3  TRP  30           HZ3      TRP  30  -0.921  -7.904  -8.834
  225    HH2  TRP  30           HH2      TRP  30  -3.037  -8.970  -8.231
  226    H    ASP  31           HN       ASP  31  -3.825  -3.200 -11.938
  227    HA   ASP  31           HA       ASP  31  -3.951  -3.222 -14.627
  228   1HB   ASP  31          2HB       ASP  31  -3.031  -5.732 -13.864
  229   2HB   ASP  31          3HB       ASP  31  -4.759  -6.007 -13.966
  230    H    GLY  32           HN       GLY  32  -5.325  -5.052 -11.792
  231   1HA   GLY  32          1HA       GLY  32  -8.010  -4.972 -12.515
  232   2HA   GLY  32          2HA       GLY  32  -7.379  -5.107 -10.886
  233    H    CYS  33           HN       CYS  33  -5.884  -2.364 -11.689
  234    HA   CYS  33           HA       CYS  33  -7.915  -0.756 -10.466
  235   1HB   CYS  33          2HB       CYS  33  -5.028  -0.620 -10.839
  236   2HB   CYS  33          3HB       CYS  33  -5.790   0.913 -11.218
  237    HG   CYS  33           HG       CYS  33  -5.049  -0.317  -8.499
  238    H    LYS  34           HN       LYS  34  -8.727   1.271 -11.465
  239    HA   LYS  34           HA       LYS  34  -9.606   0.890 -14.075
  240   1HB   LYS  34          2HB       LYS  34  -9.981   2.762 -11.942
  241   2HB   LYS  34          3HB       LYS  34  -9.681   3.666 -13.413
  242   1HG   LYS  34          2HG       LYS  34 -11.996   3.326 -13.551
  243   2HG   LYS  34          3HG       LYS  34 -11.398   1.988 -14.512
  244   1HD   LYS  34          2HD       LYS  34 -11.545   1.317 -11.641
  245   2HD   LYS  34          3HD       LYS  34 -13.102   1.797 -12.288
  246   1HE   LYS  34          2HE       LYS  34 -11.714   0.018 -14.160
  247   2HE   LYS  34          3HE       LYS  34 -11.838  -0.728 -12.580
  248   1HZ   LYS  34          1HZ       LYS  34 -14.191  -0.282 -12.608
  249   2HZ   LYS  34          2HZ       LYS  34 -14.086   0.447 -14.066
  250   3HZ   LYS  34          3HZ       LYS  34 -13.774  -1.150 -13.926
  251    H    ALA  35           HN       ALA  35  -6.600   2.159 -12.779
  252    HA   ALA  35           HA       ALA  35  -5.884   3.049 -15.489
  253   1HB   ALA  35          1HB       ALA  35  -4.072   4.333 -14.114
  254   2HB   ALA  35          2HB       ALA  35  -5.738   4.958 -14.131
  255   3HB   ALA  35          3HB       ALA  35  -5.147   4.034 -12.728
  256    H    GLY  36           HN       GLY  36  -5.866   0.307 -13.972
  257   1HA   GLY  36          1HA       GLY  36  -4.517  -1.484 -13.830
  258   2HA   GLY  36          2HA       GLY  36  -3.640  -0.792 -15.179
  259    H    GLN  37           HN       GLN  37  -4.011   0.715 -11.931
  260    HA   GLN  37           HA       GLN  37  -1.287  -0.026 -11.320
  261   1HB   GLN  37          2HB       GLN  37  -0.686   2.337 -10.772
  262   2HB   GLN  37          3HB       GLN  37  -0.996   2.100 -12.479
  263   1HG   GLN  37          2HG       GLN  37  -2.527   3.767 -12.378
  264   2HG   GLN  37          3HG       GLN  37  -3.529   2.729 -11.384
  265   1HE2  GLN  37          1HE2      GLN  37  -3.840   3.175  -9.302
  266   2HE2  GLN  37          2HE2      GLN  37  -3.097   4.466  -8.417
  267    H    ILE  38           HN       ILE  38  -1.201  -0.707  -9.221
  268    HA   ILE  38           HA       ILE  38  -3.406   0.131  -7.485
  269    HB   ILE  38           HB       ILE  38  -2.846  -2.332  -8.111
  270   1HG1  ILE  38          2HG1      ILE  38  -3.182  -2.433  -5.260
  271   2HG1  ILE  38          3HG1      ILE  38  -4.063  -1.050  -5.881
  272   1HG2  ILE  38          1HG2      ILE  38  -1.290  -3.440  -6.619
  273   2HG2  ILE  38          2HG2      ILE  38  -0.448  -2.182  -7.554
  274   3HG2  ILE  38          3HG2      ILE  38  -0.876  -1.889  -5.852
  275   1HD1  ILE  38          1HD1      ILE  38  -5.582  -2.899  -6.021
  276   2HD1  ILE  38          2HD1      ILE  38  -5.017  -2.625  -7.686
  277   3HD1  ILE  38          3HD1      ILE  38  -4.340  -3.962  -6.724
  278    H    ALA  39           HN       ALA  39  -2.991   0.919  -5.366
  279    HA   ALA  39           HA       ALA  39  -0.546   2.393  -5.197
  280   1HB   ALA  39          1HB       ALA  39  -2.514   2.103  -2.935
  281   2HB   ALA  39          2HB       ALA  39  -1.612   3.539  -3.478
  282   3HB   ALA  39          3HB       ALA  39  -3.009   2.958  -4.415
  283    H    SER  40           HN       SER  40   1.323   1.337  -4.713
  284    HA   SER  40           HA       SER  40   1.291  -0.234  -2.296
  285   1HB   SER  40          2HB       SER  40   2.492  -1.315  -4.883
  286   2HB   SER  40          3HB       SER  40   2.519  -2.111  -3.321
  287    HG   SER  40           HG       SER  40   0.443  -2.713  -3.530
  288    H    SER  41           HN       SER  41   3.820  -0.992  -1.956
  289    HA   SER  41           HA       SER  41   5.356   1.410  -2.576
  290   1HB   SER  41          2HB       SER  41   6.654   0.852  -0.471
  291   2HB   SER  41          3HB       SER  41   4.986   1.311  -0.198
  292    HG   SER  41           HG       SER  41   5.846  -0.675   0.953
  293    HA   PRO  42           HA       PRO  42   7.603  -1.817  -4.689
  294   1HB   PRO  42          2HB       PRO  42   8.645  -0.235  -6.658
  295   2HB   PRO  42          3HB       PRO  42   7.105  -1.056  -6.804
  296   1HG   PRO  42          2HG       PRO  42   7.637   1.809  -6.309
  297   2HG   PRO  42          3HG       PRO  42   6.162   1.048  -6.874
  298   1HD   PRO  42          2HD       PRO  42   6.685   2.025  -4.228
  299   2HD   PRO  42          3HD       PRO  42   5.258   1.161  -4.763
  300    H    ARG  43           HN       ARG  43   9.086   1.394  -4.517
  301    HA   ARG  43           HA       ARG  43  11.521   0.050  -3.766
  302   1HB   ARG  43          2HB       ARG  43  11.033   3.033  -4.242
  303   2HB   ARG  43          3HB       ARG  43  12.595   2.246  -4.135
  304   1HG   ARG  43          2HG       ARG  43  10.530   1.446  -6.228
  305   2HG   ARG  43          3HG       ARG  43  11.684   2.734  -6.511
  306   1HD   ARG  43          2HD       ARG  43  13.043   1.060  -7.286
  307   2HD   ARG  43          3HD       ARG  43  13.366   0.753  -5.591
  308    HE   ARG  43           HE       ARG  43  11.979  -1.163  -5.669
  309   1HH1  ARG  43          1HH1      ARG  43  10.386  -2.579  -8.432
  310   2HH1  ARG  43          2HH1      ARG  43  10.868  -2.819  -6.786
  311   1HH2  ARG  43          1HH2      ARG  43  10.867  -0.577  -9.503
  312   2HH2  ARG  43          2HH2      ARG  43  11.710   0.677  -8.656
  313    H    THR  44           HN       THR  44  10.778  -0.601  -1.590
  314    HA   THR  44           HA       THR  44  10.175   1.567   0.257
  315    HB   THR  44           HB       THR  44  10.157  -1.489   0.399
  316    HG1  THR  44           1HG      THR  44   8.227  -0.797  -0.488
  317   1HG2  THR  44          1HG2      THR  44   8.699  -0.627   2.559
  318   2HG2  THR  44          2HG2      THR  44  10.399  -1.143   2.682
  319   3HG2  THR  44          3HG2      THR  44  10.000   0.588   2.557
  320    H    GLU  45           HN       GLU  45  12.836   1.448  -1.023
  321    HA   GLU  45           HA       GLU  45  14.644   0.349   0.792
  322   1HB   GLU  45          2HB       GLU  45  16.324   1.381  -0.523
  323   2HB   GLU  45          3HB       GLU  45  15.025   1.069  -1.657
  324   1HG   GLU  45          2HG       GLU  45  14.242   3.404  -1.470
  325   2HG   GLU  45          3HG       GLU  45  15.426   3.737  -0.222
  326    H    ASP  46           HN       ASP  46  12.651   3.195   0.884
  327    HA   ASP  46           HA       ASP  46  14.319   4.240   3.036
  328   1HB   ASP  46          2HB       ASP  46  12.611   5.538   0.926
  329   2HB   ASP  46          3HB       ASP  46  12.648   6.314   2.496
  330    H    CYS  47           HN       CYS  47  13.400   3.675   5.015
  331    HA   CYS  47           HA       CYS  47  11.111   4.501   6.021
  332   1HB   CYS  47          2HB       CYS  47   9.571   3.623   4.538
  333   2HB   CYS  47          3HB       CYS  47  10.502   2.167   4.242
  334    H    VAL  48           HN       VAL  48  11.775   4.217   8.121
  335    HA   VAL  48           HA       VAL  48  13.046   1.652   8.775
  336    HB   VAL  48           HB       VAL  48  14.454   3.658   8.972
  337   1HG1  VAL  48          1HG1      VAL  48  13.450   5.557   9.618
  338   2HG1  VAL  48          2HG1      VAL  48  12.098   4.685  10.382
  339   3HG1  VAL  48          3HG1      VAL  48  13.615   4.939  11.280
  340   1HG2  VAL  48          1HG2      VAL  48  14.914   3.328  11.547
  341   2HG2  VAL  48          2HG2      VAL  48  13.732   2.009  11.374
  342   3HG2  VAL  48          3HG2      VAL  48  15.216   2.006  10.393
  343    H    GLY  49           HN       GLY  49  10.355   1.436   8.584
  344   1HA   GLY  49          1HA       GLY  49   8.436   1.053   9.707
  345   2HA   GLY  49          2HA       GLY  49   9.497   0.449  10.964
  346    H    CYS  50           HN       CYS  50   8.256   3.601   9.640
  347    HA   CYS  50           HA       CYS  50   8.536   4.764  12.270
  348   1HB   CYS  50          2HB       CYS  50   8.517   6.793  11.252
  349   2HB   CYS  50          3HB       CYS  50   8.981   5.843   9.854
  350    H    LYS  51           HN       LYS  51   6.814   5.015  13.689
  351    HA   LYS  51           HA       LYS  51   4.521   3.575  13.443
  352   1HB   LYS  51          2HB       LYS  51   3.631   5.063  15.242
  353   2HB   LYS  51          3HB       LYS  51   5.224   4.410  15.564
  354   1HG   LYS  51          2HG       LYS  51   6.238   6.562  14.700
  355   2HG   LYS  51          3HG       LYS  51   4.621   7.209  14.500
  356   1HD   LYS  51          2HD       LYS  51   4.906   7.981  16.637
  357   2HD   LYS  51          3HD       LYS  51   4.468   6.349  17.103
  358   1HE   LYS  51          2HE       LYS  51   6.521   6.028  18.010
  359   2HE   LYS  51          3HE       LYS  51   7.279   6.336  16.460
  360   1HZ   LYS  51          1HZ       LYS  51   6.814   8.162  18.652
  361   2HZ   LYS  51          2HZ       LYS  51   8.102   8.039  17.656
  362   3HZ   LYS  51          3HZ       LYS  51   6.743   8.785  17.145
  363    H    ARG  52           HN       ARG  52   3.421   3.644  11.492
  364    HA   ARG  52           HA       ARG  52   1.543   5.621  11.208
  365   1HB   ARG  52          2HB       ARG  52   3.926   6.653  10.327
  366   2HB   ARG  52          3HB       ARG  52   3.373   5.901   8.845
  367   1HG   ARG  52          2HG       ARG  52   1.611   7.371   8.585
  368   2HG   ARG  52          3HG       ARG  52   1.292   7.466  10.306
  369   1HD   ARG  52          2HD       ARG  52   3.899   8.635   9.771
  370   2HD   ARG  52          3HD       ARG  52   2.726   9.345   8.682
  371    HE   ARG  52           HE       ARG  52   1.842   9.166  11.488
  372   1HH1  ARG  52          1HH1      ARG  52   1.964  12.631  11.881
  373   2HH1  ARG  52          2HH1      ARG  52   1.435  11.135  12.574
  374   1HH2  ARG  52          1HH2      ARG  52   3.085  12.637   9.850
  375   2HH2  ARG  52          2HH2      ARG  52   3.393  11.145   9.026
  376    H    CYS  53           HN       CYS  53   0.953   5.536   8.460
  377    HA   CYS  53           HA       CYS  53  -0.159   4.210   7.085
  378   1HB   CYS  53          2HB       CYS  53   1.178   2.714   5.789
  379   2HB   CYS  53          3HB       CYS  53   2.208   4.050   6.266
  380    H    GLU  54           HN       GLU  54  -0.982   3.752   9.700
  381    HA   GLU  54           HA       GLU  54  -0.992   0.856   9.952
  382   1HB   GLU  54          2HB       GLU  54  -1.693   1.223  12.276
  383   2HB   GLU  54          3HB       GLU  54  -0.242   2.145  11.936
  384   1HG   GLU  54          2HG       GLU  54  -1.295   4.081  12.466
  385   2HG   GLU  54          3HG       GLU  54  -2.526   3.784  11.255
  386    H    THR  55           HN       THR  55  -2.503   1.491   7.844
  387    HA   THR  55           HA       THR  55  -5.192   1.005   8.815
  388    HB   THR  55           HB       THR  55  -4.926   3.528   8.678
  389    HG1  THR  55           1HG      THR  55  -6.513   2.228   6.577
  390   1HG2  THR  55          1HG2      THR  55  -4.276   4.597   6.740
  391   2HG2  THR  55          2HG2      THR  55  -3.493   3.048   6.348
  392   3HG2  THR  55          3HG2      THR  55  -5.113   3.413   5.707
  393    H    ALA  56           HN       ALA  56  -3.452  -0.833   7.715
  394    HA   ALA  56           HA       ALA  56  -3.334  -1.064   5.007
  395   1HB   ALA  56          1HB       ALA  56  -3.969  -3.350   6.907
  396   2HB   ALA  56          2HB       ALA  56  -3.031  -3.411   5.396
  397   3HB   ALA  56          3HB       ALA  56  -2.370  -2.572   6.819
  398    H    CYS  57           HN       CYS  57  -4.649  -2.350   3.460
  399    HA   CYS  57           HA       CYS  57  -7.133  -1.444   3.126
  400   1HB   CYS  57          2HB       CYS  57  -5.535  -3.396   1.908
  401   2HB   CYS  57          3HB       CYS  57  -7.023  -4.237   2.295
  402    HA   PRO  58           HA       PRO  58  -9.610  -3.377   6.147
  403   1HB   PRO  58          2HB       PRO  58 -12.087  -3.218   5.005
  404   2HB   PRO  58          3HB       PRO  58 -11.321  -1.872   5.824
  405   1HG   PRO  58          2HG       PRO  58 -11.675  -2.319   2.923
  406   2HG   PRO  58          3HG       PRO  58 -11.311  -0.827   3.767
  407   1HD   PRO  58          2HD       PRO  58  -9.471  -2.451   2.281
  408   2HD   PRO  58          3HD       PRO  58  -9.086  -1.024   3.222
  409    H    THR  59           HN       THR  59  -8.150  -5.291   5.152
  410    HA   THR  59           HA       THR  59  -8.115  -7.489   4.817
  411    HB   THR  59           HB       THR  59 -11.104  -7.646   5.338
  412    HG1  THR  59           1HG      THR  59 -10.630  -7.041   7.492
  413   1HG2  THR  59          1HG2      THR  59  -9.348  -9.204   7.058
  414   2HG2  THR  59          2HG2      THR  59 -10.573  -9.793   5.908
  415   3HG2  THR  59          3HG2      THR  59  -8.908  -9.490   5.357
  416    H    ASP  60           HN       ASP  60 -10.037  -9.274   3.661
  417    HA   ASP  60           HA       ASP  60 -11.081  -9.749   1.773
  418   1HB   ASP  60          2HB       ASP  60 -11.378  -7.053   1.630
  419   2HB   ASP  60          3HB       ASP  60 -10.242  -7.257   0.311
  420    H    PHE  61           HN       PHE  61  -8.075  -7.735   1.468
  421    HA   PHE  61           HA       PHE  61  -7.037  -9.741  -0.408
  422   1HB   PHE  61          2HB       PHE  61  -7.090  -6.784  -0.226
  423   2HB   PHE  61          3HB       PHE  61  -5.443  -7.362  -0.374
  424    HD1  PHE  61           1HD      PHE  61  -5.058  -9.137  -2.291
  425    HD2  PHE  61           2HD      PHE  61  -8.316  -6.421  -2.153
  426    HE1  PHE  61           1HE      PHE  61  -5.367  -9.381  -4.770
  427    HE2  PHE  61           2HE      PHE  61  -8.624  -6.664  -4.632
  428    HZ   PHE  61           HZ       PHE  61  -7.145  -8.142  -5.911
  429    H    LEU  62           HN       LEU  62  -5.946  -7.353   2.118
  430    HA   LEU  62           HA       LEU  62  -3.469  -8.506   2.538
  431   1HB   LEU  62          2HB       LEU  62  -5.181  -6.520   3.783
  432   2HB   LEU  62          3HB       LEU  62  -4.274  -7.423   4.979
  433    HG   LEU  62           HG       LEU  62  -2.570  -6.617   2.762
  434   1HD1  LEU  62          1HD1      LEU  62  -3.886  -4.720   2.391
  435   2HD1  LEU  62          2HD1      LEU  62  -4.223  -4.496   4.124
  436   3HD1  LEU  62          3HD1      LEU  62  -2.598  -4.154   3.482
  437   1HD2  LEU  62          1HD2      LEU  62  -1.084  -6.668   4.408
  438   2HD2  LEU  62          2HD2      LEU  62  -1.947  -5.389   5.293
  439   3HD2  LEU  62          3HD2      LEU  62  -2.398  -7.094   5.531
  440    H    SER  63           HN       SER  63  -3.265  -9.112   5.281
  441    HA   SER  63           HA       SER  63  -3.669 -10.636   6.807
  442   1HB   SER  63          2HB       SER  63  -6.160 -10.407   6.081
  443   2HB   SER  63          3HB       SER  63  -5.899 -11.873   5.156
  444    HG   SER  63           HG       SER  63  -5.235 -11.724   7.961
  445    H    ILE  64           HN       ILE  64  -1.645 -10.941   4.975
  446    HA   ILE  64           HA       ILE  64  -1.731 -13.823   4.422
  447    HB   ILE  64           HB       ILE  64  -1.939 -12.535   2.358
  448   1HG1  ILE  64          2HG1      ILE  64  -0.748 -14.725   2.440
  449   2HG1  ILE  64          3HG1      ILE  64  -0.261 -13.690   1.114
  450   1HG2  ILE  64          1HG2      ILE  64  -0.938 -10.467   2.738
  451   2HG2  ILE  64          2HG2      ILE  64   0.564 -11.193   3.360
  452   3HG2  ILE  64          3HG2      ILE  64   0.188 -11.276   1.622
  453   1HD1  ILE  64          1HD1      ILE  64   1.514 -12.898   3.083
  454   2HD1  ILE  64          2HD1      ILE  64   1.307 -14.628   3.449
  455   3HD1  ILE  64          3HD1      ILE  64   1.863 -14.120   1.836
  456    H    ARG  65           HN       ARG  65   0.187 -10.908   5.295
  457    HA   ARG  65           HA       ARG  65   1.912 -12.706   6.764
  458   1HB   ARG  65          2HB       ARG  65   2.715 -10.833   4.558
  459   2HB   ARG  65          3HB       ARG  65   3.756 -10.840   5.967
  460   1HG   ARG  65          2HG       ARG  65   3.004 -13.568   5.122
  461   2HG   ARG  65          3HG       ARG  65   3.825 -12.682   3.851
  462   1HD   ARG  65          2HD       ARG  65   5.644 -12.084   5.534
  463   2HD   ARG  65          3HD       ARG  65   4.853 -13.134   6.694
  464    HE   ARG  65           HE       ARG  65   5.131 -14.819   4.562
  465   1HH1  ARG  65          1HH1      ARG  65   8.533 -15.593   4.553
  466   2HH1  ARG  65          2HH1      ARG  65   6.954 -16.098   4.052
  467   1HH2  ARG  65          1HH2      ARG  65   8.796 -13.617   5.742
  468   2HH2  ARG  65          2HH2      ARG  65   7.414 -12.648   6.129
  469    H    VAL  66           HN       VAL  66   3.321 -11.390   8.389
  470    HA   VAL  66           HA       VAL  66   1.774  -9.048   9.262
  471    HB   VAL  66           HB       VAL  66   1.552 -11.069  10.677
  472   1HG1  VAL  66          1HG1      VAL  66   3.487 -12.297  10.662
  473   2HG1  VAL  66          2HG1      VAL  66   4.536 -10.859  10.679
  474   3HG1  VAL  66          3HG1      VAL  66   3.732 -11.391  12.175
  475   1HG2  VAL  66          1HG2      VAL  66   3.050  -9.321  12.502
  476   2HG2  VAL  66          2HG2      VAL  66   1.923  -8.443  11.440
  477   3HG2  VAL  66          3HG2      VAL  66   1.324  -9.755  12.484
  478    H    TYR  67           HN       TYR  67   2.935  -7.212   9.993
  479    HA   TYR  67           HA       TYR  67   5.817  -7.314   9.987
  480   1HB   TYR  67          2HB       TYR  67   4.055  -6.304   7.779
  481   2HB   TYR  67          3HB       TYR  67   5.234  -5.121   8.307
  482    HD1  TYR  67           HD1      TYR  67   4.864  -8.569   6.958
  483    HD2  TYR  67           HD2      TYR  67   7.519  -5.289   7.666
  484    HE1  TYR  67           HE1      TYR  67   6.638  -9.685   5.519
  485    HE2  TYR  67           HE2      TYR  67   9.284  -6.417   6.225
  486    HH   TYR  67           HH       TYR  67   9.667  -9.115   5.631
  487    H    LEU  68           HN       LEU  68   2.804  -5.314  10.023
  488    HA   LEU  68           HA       LEU  68   3.854  -3.066  11.213
  489   1HB   LEU  68          2HB       LEU  68   1.133  -4.346  11.279
  490   2HB   LEU  68          3HB       LEU  68   1.462  -2.850  12.129
  491    HG   LEU  68           HG       LEU  68   1.911  -3.227   9.157
  492   1HD1  LEU  68          1HD1      LEU  68  -0.545  -2.632  10.690
  493   2HD1  LEU  68          2HD1      LEU  68  -0.219  -1.560   9.306
  494   3HD1  LEU  68          3HD1      LEU  68  -0.336  -3.320   9.062
  495   1HD2  LEU  68          1HD2      LEU  68   3.216  -1.420   9.670
  496   2HD2  LEU  68          2HD2      LEU  68   1.656  -0.610   9.390
  497   3HD2  LEU  68          3HD2      LEU  68   2.205  -0.934  11.052
  498    H    GLY  69           HN       GLY  69   2.287  -5.918  12.835
  499   1HA   GLY  69          1HA       GLY  69   3.670  -5.101  15.316
  500   2HA   GLY  69          2HA       GLY  69   2.156  -5.978  15.236
  501    H    ALA  70           HN       ALA  70   5.607  -6.228  14.124
  502    HA   ALA  70           HA       ALA  70   5.542  -9.027  14.964
  503   1HB   ALA  70          1HB       ALA  70   6.086  -7.932  12.217
  504   2HB   ALA  70          2HB       ALA  70   7.020  -9.340  12.779
  505   3HB   ALA  70          3HB       ALA  70   5.244  -9.424  12.701
  506    H    GLU  71           HN       GLU  71   7.689  -6.496  13.466
  507    HA   GLU  71           HA       GLU  71   9.912  -7.453  14.906
  508   1HB   GLU  71          2HB       GLU  71   9.369  -5.527  12.808
  509   2HB   GLU  71          3HB       GLU  71  10.390  -4.776  14.018
  510   1HG   GLU  71          2HG       GLU  71  11.800  -6.988  13.900
  511   2HG   GLU  71          3HG       GLU  71  10.935  -7.294  12.407
  512    H    THR  72           HN       THR  72   7.957  -4.388  15.103
  513    HA   THR  72           HA       THR  72   7.908  -2.819  16.717
  514    HB   THR  72           HB       THR  72   6.285  -4.650  17.386
  515    HG1  THR  72           1HG      THR  72   6.475  -3.872  19.755
  516   1HG2  THR  72          1HG2      THR  72   6.999  -5.901  19.516
  517   2HG2  THR  72          2HG2      THR  72   7.746  -6.497  18.015
  518   3HG2  THR  72          3HG2      THR  72   8.676  -5.454  19.118
  519    H    THR  73           HN       THR  73  10.599  -3.478  16.014
  520    HA   THR  73           HA       THR  73  11.957  -3.511  18.607
  521    HB   THR  73           HB       THR  73  12.644  -5.093  16.756
  522    HG1  THR  73           1HG      THR  73  14.949  -4.198  16.883
  523   1HG2  THR  73          1HG2      THR  73  12.342  -3.798  14.726
  524   2HG2  THR  73          2HG2      THR  73  13.277  -2.435  15.385
  525   3HG2  THR  73          3HG2      THR  73  14.100  -3.953  14.952
  526    H    ARG  74           HN       ARG  74  11.295  -1.454  15.765
  527    HA   ARG  74           HA       ARG  74  13.113   0.526  16.630
  528   1HB   ARG  74          2HB       ARG  74  10.896   0.428  14.543
  529   2HB   ARG  74          3HB       ARG  74  11.741   1.927  14.876
  530   1HG   ARG  74          2HG       ARG  74  13.491   1.268  13.596
  531   2HG   ARG  74          3HG       ARG  74  13.722  -0.155  14.592
  532   1HD   ARG  74          2HD       ARG  74  11.721  -1.181  13.239
  533   2HD   ARG  74          3HD       ARG  74  11.989   0.129  12.107
  534    HE   ARG  74           HE       ARG  74  14.426  -1.361  12.809
  535   1HH1  ARG  74          1HH1      ARG  74  14.626  -2.820   9.645
  536   2HH1  ARG  74          2HH1      ARG  74  15.454  -2.533  11.138
  537   1HH2  ARG  74          1HH2      ARG  74  12.471  -2.013   9.341
  538   2HH2  ARG  74          2HH2      ARG  74  11.690  -1.125  10.607
  539    H    SER  75           HN       SER  75  10.037  -0.504  17.694
  540    HA   SER  75           HA       SER  75   9.673   2.051  19.030
  541   1HB   SER  75          2HB       SER  75   7.940   0.993  17.029
  542   2HB   SER  75          3HB       SER  75   7.108   0.760  18.553
  543    HG   SER  75           HG       SER  75   6.816   2.883  18.762
  544    H    MET  76           HN       MET  76  10.903  -0.604  19.759
  545    HA   MET  76           HA       MET  76   9.501  -2.358  21.088
  546   1HB   MET  76          2HB       MET  76  12.046  -0.867  21.818
  547   2HB   MET  76          3HB       MET  76  11.421  -2.045  22.955
  548   1HG   MET  76          2HG       MET  76  11.268  -3.568  20.725
  549   2HG   MET  76          3HG       MET  76  12.535  -2.482  20.189
  550   1HE   MET  76          1HE       MET  76  15.101  -4.318  20.674
  551   2HE   MET  76          2HE       MET  76  14.522  -2.657  20.407
  552   3HE   MET  76          3HE       MET  76  15.487  -3.042  21.852
  553    H    GLY  77           HN       GLY  77  10.004   1.028  22.167
  554   1HA   GLY  77          1HA       GLY  77   8.048   1.945  23.352
  555   2HA   GLY  77          2HA       GLY  77   8.094   0.521  24.371
  556    H    LEU  78           HN       LEU  78  10.988   2.266  23.145
  557    HA   LEU  78           HA       LEU  78  11.385   3.418  25.793
  558   1HB   LEU  78          2HB       LEU  78  12.724   1.712  26.310
  559   2HB   LEU  78          3HB       LEU  78  12.881   1.182  24.647
  560    HG   LEU  78           HG       LEU  78  14.997   1.929  25.858
  561   1HD1  LEU  78          1HD1      LEU  78  15.178   3.595  23.536
  562   2HD1  LEU  78          2HD1      LEU  78  15.820   1.957  23.801
  563   3HD1  LEU  78          3HD1      LEU  78  14.175   2.174  23.159
  564   1HD2  LEU  78          1HD2      LEU  78  15.195   3.976  26.692
  565   2HD2  LEU  78          2HD2      LEU  78  14.735   4.712  25.138
  566   3HD2  LEU  78          3HD2      LEU  78  13.479   4.250  26.310
  567    H    ALA  79           HN       ALA  79  12.622   3.040  22.408
  568    HA   ALA  79           HA       ALA  79  14.223   5.210  22.235
  569   1HB   ALA  79          1HB       ALA  79  13.681   5.199  19.841
  570   2HB   ALA  79          2HB       ALA  79  13.800   3.532  20.452
  571   3HB   ALA  79          3HB       ALA  79  12.203   4.261  20.162
  572    H    TYR  80           HN       TYR  80  10.670   5.110  22.469
  573    HA   TYR  80           HA       TYR  80  10.345   7.860  21.746
  574   1HB   TYR  80          2HB       TYR  80   8.037   7.278  22.110
  575   2HB   TYR  80          3HB       TYR  80   8.740   5.732  21.677
  576    HD1  TYR  80           HD1      TYR  80   8.404   3.890  23.072
  577    HD2  TYR  80           HD2      TYR  80   7.981   7.828  24.692
  578    HE1  TYR  80           HE1      TYR  80   7.573   2.907  25.264
  579    HE2  TYR  80           HE2      TYR  80   7.151   6.830  26.879
  580    HH   TYR  80           HH       TYR  80   7.025   4.957  28.066
  Start of MODEL    6
    1    H    SER   1           HN       SER   1  -5.087  -6.513   9.553
    2    HA   SER   1           HA       SER   1  -5.505  -4.289   8.995
    3   1HB   SER   1          2HB       SER   1  -6.538  -4.248  11.801
    4   2HB   SER   1          3HB       SER   1  -5.754  -2.777  11.260
    5    HG   SER   1           HG       SER   1  -7.467  -3.757   9.315
    6    H    HIS   2           HN       HIS   2  -3.211  -4.896   8.586
    7    HA   HIS   2           HA       HIS   2  -1.437  -3.164   9.760
    8   1HB   HIS   2          2HB       HIS   2   0.007  -4.776  11.041
    9   2HB   HIS   2          3HB       HIS   2  -1.500  -4.323  11.814
   10    HD1  HIS   2           HD1      HIS   2  -0.960  -7.048   9.173
   11    HD2  HIS   2           HD2      HIS   2  -2.164  -6.612  13.167
   12    HE1  HIS   2           HE1      HIS   2  -1.715  -9.359   9.948
   13    H    SER   3           HN       SER   3   0.996  -4.066   9.266
   14    HA   SER   3           HA       SER   3   2.405  -4.616   7.711
   15   1HB   SER   3          2HB       SER   3   2.288  -6.766   6.729
   16   2HB   SER   3          3HB       SER   3   1.351  -6.928   8.202
   17    HG   SER   3           HG       SER   3   0.211  -7.863   6.426
   18    H    VAL   4           HN       VAL   4   2.898  -4.387   5.365
   19    HA   VAL   4           HA       VAL   4   0.661  -3.584   3.699
   20    HB   VAL   4           HB       VAL   4   1.392  -1.566   4.954
   21   1HG1  VAL   4          1HG1      VAL   4   3.520  -0.649   4.812
   22   2HG1  VAL   4          2HG1      VAL   4   3.874  -2.391   4.899
   23   3HG1  VAL   4          3HG1      VAL   4   3.927  -1.550   3.332
   24   1HG2  VAL   4          1HG2      VAL   4   2.215  -0.660   2.350
   25   2HG2  VAL   4          2HG2      VAL   4   0.938  -1.887   2.171
   26   3HG2  VAL   4          3HG2      VAL   4   0.652  -0.444   3.174
   27    H    LYS   5           HN       LYS   5   1.911  -5.947   3.400
   28    HA   LYS   5           HA       LYS   5   4.319  -5.993   2.060
   29   1HB   LYS   5          2HB       LYS   5   2.055  -7.794   2.512
   30   2HB   LYS   5          3HB       LYS   5   2.835  -8.074   0.969
   31   1HG   LYS   5          2HG       LYS   5   4.472  -7.756   3.513
   32   2HG   LYS   5          3HG       LYS   5   3.778  -9.305   3.076
   33   1HD   LYS   5          2HD       LYS   5   5.532  -7.692   1.171
   34   2HD   LYS   5          3HD       LYS   5   6.186  -8.882   2.278
   35   1HE   LYS   5          2HE       LYS   5   4.795 -10.658   1.250
   36   2HE   LYS   5          3HE       LYS   5   4.029  -9.484   0.199
   37   1HZ   LYS   5          1HZ       LYS   5   5.739 -10.472  -1.017
   38   2HZ   LYS   5          2HZ       LYS   5   6.314  -8.993  -0.628
   39   3HZ   LYS   5          3HZ       LYS   5   6.839 -10.313   0.179
   40    H    ILE   6           HN       ILE   6   4.039  -7.127  -0.440
   41    HA   ILE   6           HA       ILE   6   3.113  -4.808  -1.944
   42    HB   ILE   6           HB       ILE   6   4.739  -7.141  -2.938
   43   1HG1  ILE   6          2HG1      ILE   6   6.045  -6.366  -1.146
   44   2HG1  ILE   6          3HG1      ILE   6   6.716  -5.591  -2.567
   45   1HG2  ILE   6          1HG2      ILE   6   3.532  -5.428  -4.481
   46   2HG2  ILE   6          2HG2      ILE   6   4.831  -4.323  -3.972
   47   3HG2  ILE   6          3HG2      ILE   6   5.234  -5.850  -4.792
   48   1HD1  ILE   6          1HD1      ILE   6   6.509  -3.931  -0.785
   49   2HD1  ILE   6          2HD1      ILE   6   5.332  -3.543  -2.063
   50   3HD1  ILE   6          3HD1      ILE   6   4.789  -4.333  -0.562
   51    H    TYR   7           HN       TYR   7   0.857  -5.731  -1.177
   52    HA   TYR   7           HA       TYR   7   0.007  -7.823  -3.047
   53   1HB   TYR   7          2HB       TYR   7  -1.077  -6.521  -0.478
   54   2HB   TYR   7          3HB       TYR   7  -2.057  -7.623  -1.422
   55    HD1  TYR   7           HD1      TYR   7  -0.079  -9.704  -2.182
   56    HD2  TYR   7           HD2      TYR   7  -0.648  -7.648   1.527
   57    HE1  TYR   7           HE1      TYR   7   0.933 -11.671  -0.929
   58    HE2  TYR   7           HE2      TYR   7   0.367  -9.621   2.768
   59    HH   TYR   7           HH       TYR   7   1.357 -12.541   1.008
   60    H    ASP   8           HN       ASP   8  -2.115  -7.543  -4.135
   61    HA   ASP   8           HA       ASP   8  -2.286  -4.852  -5.106
   62   1HB   ASP   8          2HB       ASP   8  -3.542  -5.758  -6.899
   63   2HB   ASP   8          3HB       ASP   8  -2.396  -7.027  -6.517
   64    H    THR   9           HN       THR   9  -3.134  -5.526  -2.297
   65    HA   THR   9           HA       THR   9  -5.981  -5.665  -2.235
   66    HB   THR   9           HB       THR   9  -4.572  -6.536  -0.405
   67    HG1  THR   9           1HG      THR   9  -5.606  -5.059   1.283
   68   1HG2  THR   9          1HG2      THR   9  -2.993  -4.254  -0.794
   69   2HG2  THR   9          2HG2      THR   9  -3.892  -3.871   0.693
   70   3HG2  THR   9          3HG2      THR   9  -2.893  -5.342   0.611
   71    H    CYS  10           HN       CYS  10  -6.815  -4.047  -3.589
   72    HA   CYS  10           HA       CYS  10  -6.928  -1.497  -2.268
   73   1HB   CYS  10          2HB       CYS  10  -4.914  -1.595  -4.001
   74   2HB   CYS  10          3HB       CYS  10  -6.194  -1.334  -5.170
   75    H    ILE  11           HN       ILE  11  -9.024  -0.722  -2.492
   76    HA   ILE  11           HA       ILE  11 -10.663  -2.055  -4.533
   77    HB   ILE  11           HB       ILE  11 -12.493  -1.977  -3.088
   78   1HG1  ILE  11          2HG1      ILE  11 -12.170   0.353  -2.312
   79   2HG1  ILE  11          3HG1      ILE  11 -12.636  -0.747  -1.030
   80   1HG2  ILE  11          1HG2      ILE  11 -11.680  -3.749  -2.032
   81   2HG2  ILE  11          2HG2      ILE  11 -10.016  -3.138  -2.194
   82   3HG2  ILE  11          3HG2      ILE  11 -11.006  -2.664  -0.794
   83   1HD1  ILE  11          1HD1      ILE  11  -9.998   0.619  -1.501
   84   2HD1  ILE  11          2HD1      ILE  11 -10.878   0.345   0.022
   85   3HD1  ILE  11          3HD1      ILE  11  -9.976  -0.988  -0.736
   86    H    GLY  12           HN       GLY  12  -9.078   0.816  -3.706
   87   1HA   GLY  12          1HA       GLY  12  -9.230   2.557  -5.383
   88   2HA   GLY  12          2HA       GLY  12 -10.974   2.377  -5.357
   89    H    CYS  13           HN       CYS  13  -8.972   2.205  -2.398
   90    HA   CYS  13           HA       CYS  13 -10.252   4.696  -1.552
   91   1HB   CYS  13          2HB       CYS  13 -10.798   3.659   0.342
   92   2HB   CYS  13          3HB       CYS  13 -10.151   2.165  -0.307
   93    H    THR  14           HN       THR  14  -8.808   5.975   0.079
   94    HA   THR  14           HA       THR  14  -5.967   5.679  -0.612
   95    HB   THR  14           HB       THR  14  -7.062   7.435  -2.054
   96    HG1  THR  14           1HG      THR  14  -5.023   8.201  -1.649
   97   1HG2  THR  14          1HG2      THR  14  -8.648   8.096   0.036
   98   2HG2  THR  14          2HG2      THR  14  -7.288   9.188   0.393
   99   3HG2  THR  14          3HG2      THR  14  -8.144   9.311  -1.163
  100    H    GLN  15           HN       GLN  15  -6.184   4.477   1.521
  101    HA   GLN  15           HA       GLN  15  -6.216   6.426   3.686
  102   1HB   GLN  15          2HB       GLN  15  -6.744   4.572   5.187
  103   2HB   GLN  15          3HB       GLN  15  -7.883   4.576   3.856
  104   1HG   GLN  15          2HG       GLN  15  -6.454   2.838   2.689
  105   2HG   GLN  15          3HG       GLN  15  -5.418   2.787   4.101
  106   1HE2  GLN  15          1HE2      GLN  15  -5.883   0.620   4.430
  107   2HE2  GLN  15          2HE2      GLN  15  -7.378   0.064   5.105
  108    H    CYS  16           HN       CYS  16  -4.477   3.565   2.320
  109    HA   CYS  16           HA       CYS  16  -2.305   3.939   4.156
  110   1HB   CYS  16          2HB       CYS  16  -1.393   1.957   3.275
  111   2HB   CYS  16          3HB       CYS  16  -3.125   1.688   3.276
  112    H    VAL  17           HN       VAL  17  -3.316   5.940   1.919
  113    HA   VAL  17           HA       VAL  17  -0.664   6.318   0.706
  114    HB   VAL  17           HB       VAL  17  -3.283   7.220  -0.481
  115   1HG1  VAL  17          1HG1      VAL  17  -1.115   8.269  -1.218
  116   2HG1  VAL  17          2HG1      VAL  17  -0.615   6.667  -1.812
  117   3HG1  VAL  17          3HG1      VAL  17  -2.040   7.471  -2.513
  118   1HG2  VAL  17          1HG2      VAL  17  -2.370   4.516  -0.216
  119   2HG2  VAL  17          2HG2      VAL  17  -3.811   5.134  -1.058
  120   3HG2  VAL  17          3HG2      VAL  17  -2.265   4.991  -1.929
  121    H    ARG  18           HN       ARG  18  -2.286   7.258   3.277
  122    HA   ARG  18           HA       ARG  18  -1.708  10.070   2.789
  123   1HB   ARG  18          2HB       ARG  18  -4.124   8.772   3.832
  124   2HB   ARG  18          3HB       ARG  18  -3.484   9.905   5.007
  125   1HG   ARG  18          2HG       ARG  18  -5.011  11.130   3.575
  126   2HG   ARG  18          3HG       ARG  18  -3.388  11.667   3.190
  127   1HD   ARG  18          2HD       ARG  18  -3.791   9.459   1.478
  128   2HD   ARG  18          3HD       ARG  18  -5.341  10.276   1.481
  129    HE   ARG  18           HE       ARG  18  -3.634  12.383   1.145
  130   1HH1  ARG  18          1HH1      ARG  18  -2.589  12.080  -2.171
  131   2HH1  ARG  18          2HH1      ARG  18  -2.787  13.159  -0.830
  132   1HH2  ARG  18          1HH2      ARG  18  -3.184   9.846  -1.961
  133   2HH2  ARG  18          2HH2      ARG  18  -3.828   9.259  -0.463
  134    H    ALA  19           HN       ALA  19  -1.982   7.431   5.267
  135    HA   ALA  19           HA       ALA  19  -0.482   8.880   7.207
  136   1HB   ALA  19          1HB       ALA  19  -2.229   7.165   7.720
  137   2HB   ALA  19          2HB       ALA  19  -1.158   5.916   7.040
  138   3HB   ALA  19          3HB       ALA  19  -0.665   6.817   8.494
  139    H    CYS  20           HN       CYS  20   1.381   9.499   5.844
  140    HA   CYS  20           HA       CYS  20   3.494   7.654   6.206
  141   1HB   CYS  20          2HB       CYS  20   2.422   6.760   4.099
  142   2HB   CYS  20          3HB       CYS  20   2.827   8.273   3.313
  143    HA   PRO  21           HA       PRO  21   4.825  11.887   6.329
  144   1HB   PRO  21          2HB       PRO  21   6.931  11.511   8.029
  145   2HB   PRO  21          3HB       PRO  21   5.299  11.832   8.581
  146   1HG   PRO  21          2HG       PRO  21   6.789   9.279   8.590
  147   2HG   PRO  21          3HG       PRO  21   5.358   9.718   9.502
  148   1HD   PRO  21          2HD       PRO  21   5.464   8.053   7.168
  149   2HD   PRO  21          3HD       PRO  21   4.022   8.587   8.011
  150    H    LEU  22           HN       LEU  22   6.910   9.127   5.805
  151    HA   LEU  22           HA       LEU  22   8.907  10.707   4.534
  152   1HB   LEU  22          2HB       LEU  22   8.406   7.731   4.641
  153   2HB   LEU  22          3HB       LEU  22   9.801   8.466   3.876
  154    HG   LEU  22           HG       LEU  22   9.799   9.581   6.428
  155   1HD1  LEU  22          1HD1      LEU  22   8.094   8.014   7.180
  156   2HD1  LEU  22          2HD1      LEU  22   9.084   6.642   6.628
  157   3HD1  LEU  22          3HD1      LEU  22   9.655   7.672   7.963
  158   1HD2  LEU  22          1HD2      LEU  22  11.901   8.744   6.525
  159   2HD2  LEU  22          2HD2      LEU  22  11.405   7.119   5.993
  160   3HD2  LEU  22          3HD2      LEU  22  11.590   8.429   4.801
  161    H    ASP  23           HN       ASP  23   7.726   7.852   2.818
  162    HA   ASP  23           HA       ASP  23   5.931   8.798   1.116
  163   1HB   ASP  23          2HB       ASP  23   8.454  10.163   0.655
  164   2HB   ASP  23          3HB       ASP  23   8.087   9.173  -0.743
  165    H    VAL  24           HN       VAL  24   5.732   6.410   1.445
  166    HA   VAL  24           HA       VAL  24   7.558   4.912  -0.306
  167    HB   VAL  24           HB       VAL  24   6.205   4.036   2.254
  168   1HG1  VAL  24          1HG1      VAL  24   8.275   2.318   1.022
  169   2HG1  VAL  24          2HG1      VAL  24   6.745   1.885   1.823
  170   3HG1  VAL  24          3HG1      VAL  24   6.741   2.419   0.125
  171   1HG2  VAL  24          1HG2      VAL  24   8.046   4.673   3.339
  172   2HG2  VAL  24          2HG2      VAL  24   9.075   3.744   2.222
  173   3HG2  VAL  24          3HG2      VAL  24   8.635   5.425   1.837
  174    H    LEU  25           HN       LEU  25   4.314   4.565   1.309
  175    HA   LEU  25           HA       LEU  25   3.215   2.901  -0.565
  176   1HB   LEU  25          2HB       LEU  25   1.807   5.046   1.030
  177   2HB   LEU  25          3HB       LEU  25   1.058   3.646   0.288
  178    HG   LEU  25           HG       LEU  25   3.218   2.831   2.047
  179   1HD1  LEU  25          1HD1      LEU  25   1.067   3.910   3.742
  180   2HD1  LEU  25          2HD1      LEU  25   2.829   3.867   3.995
  181   3HD1  LEU  25          3HD1      LEU  25   2.106   5.141   2.984
  182   1HD2  LEU  25          1HD2      LEU  25   1.402   1.390   1.195
  183   2HD2  LEU  25          2HD2      LEU  25   1.519   1.378   2.971
  184   3HD2  LEU  25          3HD2      LEU  25   0.235   2.315   2.170
  185    H    GLU  26           HN       GLU  26   3.754   3.371  -2.709
  186    HA   GLU  26           HA       GLU  26   2.499   5.815  -3.692
  187   1HB   GLU  26          2HB       GLU  26   5.090   4.508  -4.625
  188   2HB   GLU  26          3HB       GLU  26   4.287   5.797  -5.498
  189   1HG   GLU  26          2HG       GLU  26   5.007   6.110  -2.559
  190   2HG   GLU  26          3HG       GLU  26   6.185   6.436  -3.814
  191    H    MET  27           HN       MET  27   2.663   5.366  -6.440
  192    HA   MET  27           HA       MET  27   0.730   3.273  -6.685
  193   1HB   MET  27          2HB       MET  27   0.546   4.161  -9.031
  194   2HB   MET  27          3HB       MET  27   0.436   5.453  -7.853
  195   1HG   MET  27          2HG       MET  27   2.164   6.490  -8.899
  196   2HG   MET  27          3HG       MET  27   3.216   5.187  -8.383
  197   1HE   MET  27          1HE       MET  27   3.522   6.297 -12.221
  198   2HE   MET  27          2HE       MET  27   1.871   6.838 -11.835
  199   3HE   MET  27          3HE       MET  27   3.197   7.140 -10.687
  200    H    VAL  28           HN       VAL  28   1.033   1.249  -7.582
  201    HA   VAL  28           HA       VAL  28   3.673   0.759  -8.776
  202    HB   VAL  28           HB       VAL  28   3.883  -1.230  -7.636
  203   1HG1  VAL  28          1HG1      VAL  28   4.140  -0.451  -5.548
  204   2HG1  VAL  28          2HG1      VAL  28   3.412   1.057  -6.150
  205   3HG1  VAL  28          3HG1      VAL  28   2.395  -0.163  -5.346
  206   1HG2  VAL  28          1HG2      VAL  28   0.966  -1.287  -7.787
  207   2HG2  VAL  28          2HG2      VAL  28   2.134  -2.627  -7.695
  208   3HG2  VAL  28          3HG2      VAL  28   1.574  -1.831  -6.205
  209    HA   PRO  29           HA       PRO  29   1.541  -0.981 -12.108
  210   1HB   PRO  29          2HB       PRO  29   3.104  -3.082 -12.890
  211   2HB   PRO  29          3HB       PRO  29   3.477  -1.413 -13.276
  212   1HG   PRO  29          2HG       PRO  29   4.740  -3.180 -11.270
  213   2HG   PRO  29          3HG       PRO  29   5.352  -1.691 -11.962
  214   1HD   PRO  29          2HD       PRO  29   4.210  -2.027  -9.352
  215   2HD   PRO  29          3HD       PRO  29   4.716  -0.519 -10.089
  216    H    TRP  30           HN       TRP  30  -0.460  -1.758 -11.955
  217    HA   TRP  30           HA       TRP  30  -0.601  -4.457 -10.792
  218   1HB   TRP  30          2HB       TRP  30  -1.509  -2.839  -9.235
  219   2HB   TRP  30          3HB       TRP  30  -2.542  -2.162 -10.479
  220    HD1  TRP  30           HD1      TRP  30  -4.982  -2.939  -9.988
  221    HE1  TRP  30           HE1      TRP  30  -6.259  -5.128  -9.253
  222    HE3  TRP  30           HE3      TRP  30  -0.819  -5.798  -9.403
  223    HZ2  TRP  30           HZ2      TRP  30  -5.404  -7.751  -8.525
  224    HZ3  TRP  30           HZ3      TRP  30  -1.128  -8.164  -8.677
  225    HH2  TRP  30           HH2      TRP  30  -3.323  -9.147  -8.241
  226    H    ASP  31           HN       ASP  31  -3.609  -3.238 -11.810
  227    HA   ASP  31           HA       ASP  31  -3.562  -3.291 -14.500
  228   1HB   ASP  31          2HB       ASP  31  -2.830  -5.837 -13.652
  229   2HB   ASP  31          3HB       ASP  31  -4.559  -6.021 -13.869
  230    H    GLY  32           HN       GLY  32  -5.213  -5.015 -11.745
  231   1HA   GLY  32          1HA       GLY  32  -7.842  -4.727 -12.676
  232   2HA   GLY  32          2HA       GLY  32  -7.340  -5.014 -11.022
  233    H    CYS  33           HN       CYS  33  -5.601  -2.326 -11.677
  234    HA   CYS  33           HA       CYS  33  -7.525  -0.649 -10.377
  235   1HB   CYS  33          2HB       CYS  33  -4.619  -0.615 -10.860
  236   2HB   CYS  33          3HB       CYS  33  -5.366   0.966 -10.976
  237    HG   CYS  33           HG       CYS  33  -6.896   0.409  -8.707
  238    H    LYS  34           HN       LYS  34  -8.207   1.469 -11.281
  239    HA   LYS  34           HA       LYS  34  -9.150   1.275 -13.875
  240   1HB   LYS  34          2HB       LYS  34  -9.163   3.211 -11.703
  241   2HB   LYS  34          3HB       LYS  34  -9.037   4.006 -13.259
  242   1HG   LYS  34          2HG       LYS  34 -10.955   1.896 -13.570
  243   2HG   LYS  34          3HG       LYS  34 -11.344   2.708 -12.067
  244   1HD   LYS  34          2HD       LYS  34 -12.541   3.931 -13.727
  245   2HD   LYS  34          3HD       LYS  34 -11.147   4.932 -13.370
  246   1HE   LYS  34          2HE       LYS  34 -10.222   4.627 -15.456
  247   2HE   LYS  34          3HE       LYS  34 -10.674   2.934 -15.524
  248   1HZ   LYS  34          1HZ       LYS  34 -13.043   4.097 -15.660
  249   2HZ   LYS  34          2HZ       LYS  34 -12.139   5.238 -16.402
  250   3HZ   LYS  34          3HZ       LYS  34 -12.157   3.709 -16.976
  251    H    ALA  35           HN       ALA  35  -6.015   2.270 -12.614
  252    HA   ALA  35           HA       ALA  35  -5.259   3.032 -15.352
  253   1HB   ALA  35          1HB       ALA  35  -3.717   4.619 -14.423
  254   2HB   ALA  35          2HB       ALA  35  -5.277   4.882 -13.604
  255   3HB   ALA  35          3HB       ALA  35  -3.973   4.000 -12.774
  256    H    GLY  36           HN       GLY  36  -5.404   0.331 -14.031
  257   1HA   GLY  36          1HA       GLY  36  -4.130  -1.501 -13.723
  258   2HA   GLY  36          2HA       GLY  36  -3.146  -0.843 -15.014
  259    H    GLN  37           HN       GLN  37  -3.634   0.744 -11.830
  260    HA   GLN  37           HA       GLN  37  -1.004  -0.142 -11.022
  261   1HB   GLN  37          2HB       GLN  37  -0.339   2.219 -10.455
  262   2HB   GLN  37          3HB       GLN  37  -0.478   1.921 -12.176
  263   1HG   GLN  37          2HG       GLN  37  -1.932   3.654 -12.309
  264   2HG   GLN  37          3HG       GLN  37  -3.079   2.712 -11.376
  265   1HE2  GLN  37          1HE2      GLN  37  -3.449   3.147  -9.267
  266   2HE2  GLN  37          2HE2      GLN  37  -2.778   4.489  -8.400
  267    H    ILE  38           HN       ILE  38  -1.151  -0.843  -8.936
  268    HA   ILE  38           HA       ILE  38  -3.406   0.151  -7.366
  269    HB   ILE  38           HB       ILE  38  -2.843  -2.349  -7.890
  270   1HG1  ILE  38          2HG1      ILE  38  -3.481  -2.420  -5.114
  271   2HG1  ILE  38          3HG1      ILE  38  -4.206  -0.968  -5.776
  272   1HG2  ILE  38          1HG2      ILE  38  -0.514  -1.667  -6.536
  273   2HG2  ILE  38          2HG2      ILE  38  -1.475  -2.558  -5.331
  274   3HG2  ILE  38          3HG2      ILE  38  -1.098  -3.309  -6.901
  275   1HD1  ILE  38          1HD1      ILE  38  -5.630  -3.094  -5.927
  276   2HD1  ILE  38          2HD1      ILE  38  -5.414  -2.208  -7.454
  277   3HD1  ILE  38          3HD1      ILE  38  -4.466  -3.681  -7.140
  278    H    ALA  39           HN       ALA  39  -3.118   0.979  -5.238
  279    HA   ALA  39           HA       ALA  39  -0.643   2.386  -4.934
  280   1HB   ALA  39          1HB       ALA  39  -1.768   3.483  -3.118
  281   2HB   ALA  39          2HB       ALA  39  -2.976   3.256  -4.407
  282   3HB   ALA  39          3HB       ALA  39  -2.972   2.178  -2.992
  283    H    SER  40           HN       SER  40   1.159   1.394  -4.178
  284    HA   SER  40           HA       SER  40   1.032   0.081  -1.688
  285   1HB   SER  40          2HB       SER  40   1.536  -1.584  -4.187
  286   2HB   SER  40          3HB       SER  40   2.066  -2.096  -2.597
  287    HG   SER  40           HG       SER  40  -0.468  -1.432  -2.221
  288    H    SER  41           HN       SER  41   3.466  -1.190  -1.556
  289    HA   SER  41           HA       SER  41   5.226   1.003  -1.824
  290   1HB   SER  41          2HB       SER  41   5.702  -1.894  -0.998
  291   2HB   SER  41          3HB       SER  41   6.919  -0.638  -0.895
  292    HG   SER  41           HG       SER  41   4.374  -0.694   0.488
  293    HA   PRO  42           HA       PRO  42   6.671  -0.112  -5.801
  294   1HB   PRO  42          2HB       PRO  42   8.616   1.788  -6.070
  295   2HB   PRO  42          3HB       PRO  42   6.924   2.093  -6.410
  296   1HG   PRO  42          2HG       PRO  42   8.528   2.946  -4.078
  297   2HG   PRO  42          3HG       PRO  42   6.995   3.577  -4.646
  298   1HD   PRO  42          2HD       PRO  42   7.409   1.829  -2.411
  299   2HD   PRO  42          3HD       PRO  42   5.868   2.367  -3.049
  300    H    ARG  43           HN       ARG  43   9.254   0.716  -3.530
  301    HA   ARG  43           HA       ARG  43  10.316  -1.907  -4.007
  302   1HB   ARG  43          2HB       ARG  43  11.931   0.635  -4.549
  303   2HB   ARG  43          3HB       ARG  43  12.630  -0.969  -4.462
  304   1HG   ARG  43          2HG       ARG  43  11.146  -1.707  -6.348
  305   2HG   ARG  43          3HG       ARG  43  10.472  -0.092  -6.441
  306   1HD   ARG  43          2HD       ARG  43  12.836   0.790  -6.850
  307   2HD   ARG  43          3HD       ARG  43  13.384  -0.872  -6.938
  308    HE   ARG  43           HE       ARG  43  11.119  -0.236  -8.712
  309   1HH1  ARG  43          1HH1      ARG  43  13.097  -0.558 -11.570
  310   2HH1  ARG  43          2HH1      ARG  43  11.482  -0.409 -10.961
  311   1HH2  ARG  43          1HH2      ARG  43  14.892  -0.583 -10.098
  312   2HH2  ARG  43          2HH2      ARG  43  14.617  -0.452  -8.394
  313    H    THR  44           HN       THR  44   9.144   0.053  -1.850
  314    HA   THR  44           HA       THR  44   9.612   0.772   0.233
  315    HB   THR  44           HB       THR  44  10.781  -2.061   0.218
  316    HG1  THR  44           1HG      THR  44   8.619  -2.491   0.031
  317   1HG2  THR  44          1HG2      THR  44  11.268  -1.445   2.415
  318   2HG2  THR  44          2HG2      THR  44  10.094  -0.108   2.403
  319   3HG2  THR  44          3HG2      THR  44   9.533  -1.783   2.618
  320    H    GLU  45           HN       GLU  45  11.720   1.386  -1.850
  321    HA   GLU  45           HA       GLU  45  14.228   1.055  -0.862
  322   1HB   GLU  45          2HB       GLU  45  14.827   3.062  -2.195
  323   2HB   GLU  45          3HB       GLU  45  13.755   1.996  -3.081
  324   1HG   GLU  45          2HG       GLU  45  11.861   3.422  -2.750
  325   2HG   GLU  45          3HG       GLU  45  12.631   4.292  -1.439
  326    H    ASP  46           HN       ASP  46  11.653   3.274   0.192
  327    HA   ASP  46           HA       ASP  46  13.539   4.543   1.992
  328   1HB   ASP  46          2HB       ASP  46  11.184   5.403   0.552
  329   2HB   ASP  46          3HB       ASP  46  10.854   5.571   2.265
  330    H    CYS  47           HN       CYS  47  11.622   5.309   4.021
  331    HA   CYS  47           HA       CYS  47  10.436   4.584   5.739
  332   1HB   CYS  47          2HB       CYS  47   9.110   3.198   4.126
  333   2HB   CYS  47          3HB       CYS  47  10.217   1.867   4.401
  334    H    VAL  48           HN       VAL  48  10.914   3.404   7.771
  335    HA   VAL  48           HA       VAL  48  13.152   1.605   7.777
  336    HB   VAL  48           HB       VAL  48  14.299   3.738   7.624
  337   1HG1  VAL  48          1HG1      VAL  48  12.434   5.116   8.585
  338   2HG1  VAL  48          2HG1      VAL  48  12.912   4.541  10.200
  339   3HG1  VAL  48          3HG1      VAL  48  14.046   5.510   9.230
  340   1HG2  VAL  48          1HG2      VAL  48  15.879   3.012   9.031
  341   2HG2  VAL  48          2HG2      VAL  48  14.853   3.310  10.455
  342   3HG2  VAL  48          3HG2      VAL  48  14.712   1.777   9.560
  343    H    GLY  49           HN       GLY  49  10.272   1.603   8.442
  344   1HA   GLY  49          1HA       GLY  49   9.132   0.466  10.061
  345   2HA   GLY  49          2HA       GLY  49  10.524   0.544  11.123
  346    H    CYS  50           HN       CYS  50   7.907   2.585   9.676
  347    HA   CYS  50           HA       CYS  50   7.959   4.127  12.166
  348   1HB   CYS  50          2HB       CYS  50   8.326   6.010  11.036
  349   2HB   CYS  50          3HB       CYS  50   8.454   5.102   9.543
  350    H    LYS  51           HN       LYS  51   6.107   3.623  13.284
  351    HA   LYS  51           HA       LYS  51   3.929   2.342  12.017
  352   1HB   LYS  51          2HB       LYS  51   4.744   3.104  14.735
  353   2HB   LYS  51          3HB       LYS  51   3.014   3.197  14.481
  354   1HG   LYS  51          2HG       LYS  51   3.019   0.867  13.570
  355   2HG   LYS  51          3HG       LYS  51   4.751   0.772  13.817
  356   1HD   LYS  51          2HD       LYS  51   3.222   1.615  16.229
  357   2HD   LYS  51          3HD       LYS  51   2.844  -0.003  15.671
  358   1HE   LYS  51          2HE       LYS  51   4.678  -0.252  17.208
  359   2HE   LYS  51          3HE       LYS  51   5.363  -0.474  15.611
  360   1HZ   LYS  51          1HZ       LYS  51   6.049   1.833  15.654
  361   2HZ   LYS  51          2HZ       LYS  51   5.421   2.029  17.149
  362   3HZ   LYS  51          3HZ       LYS  51   6.683   1.018  16.920
  363    H    ARG  52           HN       ARG  52   3.051   3.578  10.352
  364    HA   ARG  52           HA       ARG  52   1.586   5.873  11.319
  365   1HB   ARG  52          2HB       ARG  52   3.717   5.881   9.209
  366   2HB   ARG  52          3HB       ARG  52   2.263   6.774   8.811
  367   1HG   ARG  52          2HG       ARG  52   3.775   7.151  11.436
  368   2HG   ARG  52          3HG       ARG  52   4.097   8.112  10.005
  369   1HD   ARG  52          2HD       ARG  52   1.769   8.943   9.982
  370   2HD   ARG  52          3HD       ARG  52   1.344   7.889  11.316
  371    HE   ARG  52           HE       ARG  52   3.591   9.679  11.914
  372   1HH1  ARG  52          1HH1      ARG  52   1.666  11.660  14.046
  373   2HH1  ARG  52          2HH1      ARG  52   3.269  11.282  13.511
  374   1HH2  ARG  52          1HH2      ARG  52  -0.155  10.540  13.142
  375   2HH2  ARG  52          2HH2      ARG  52   0.090   9.325  11.932
  376    H    CYS  53           HN       CYS  53   2.340   3.821   8.405
  377    HA   CYS  53           HA       CYS  53  -0.228   4.178   7.294
  378   1HB   CYS  53          2HB       CYS  53   0.492   2.258   5.798
  379   2HB   CYS  53          3HB       CYS  53   1.510   3.685   5.770
  380    H    GLU  54           HN       GLU  54  -1.192   3.682   9.615
  381    HA   GLU  54           HA       GLU  54  -1.279   0.873  10.187
  382   1HB   GLU  54          2HB       GLU  54  -1.179   2.821  11.908
  383   2HB   GLU  54          3HB       GLU  54  -2.884   3.047  11.576
  384   1HG   GLU  54          2HG       GLU  54  -3.496   1.012  12.548
  385   2HG   GLU  54          3HG       GLU  54  -1.966   0.244  12.176
  386    H    THR  55           HN       THR  55  -2.295   1.345   7.629
  387    HA   THR  55           HA       THR  55  -5.158   0.826   8.066
  388    HB   THR  55           HB       THR  55  -5.619   2.171   6.035
  389    HG1  THR  55           1HG      THR  55  -2.743   2.711   6.233
  390   1HG2  THR  55          1HG2      THR  55  -5.287   4.322   6.928
  391   2HG2  THR  55          2HG2      THR  55  -5.086   3.338   8.398
  392   3HG2  THR  55          3HG2      THR  55  -3.655   3.928   7.520
  393    H    ALA  56           HN       ALA  56  -3.101   0.869   5.108
  394    HA   ALA  56           HA       ALA  56  -2.467  -0.770   3.751
  395   1HB   ALA  56          1HB       ALA  56  -3.407  -2.854   5.738
  396   2HB   ALA  56          2HB       ALA  56  -2.067  -2.946   4.571
  397   3HB   ALA  56          3HB       ALA  56  -1.919  -1.919   6.017
  398    H    CYS  57           HN       CYS  57  -5.340  -2.158   5.506
  399    HA   CYS  57           HA       CYS  57  -7.241  -1.497   3.690
  400   1HB   CYS  57          2HB       CYS  57  -5.484  -3.391   2.484
  401   2HB   CYS  57          3HB       CYS  57  -6.989  -4.224   2.820
  402    HA   PRO  58           HA       PRO  58  -9.515  -3.908   6.533
  403   1HB   PRO  58          2HB       PRO  58 -11.566  -5.054   5.137
  404   2HB   PRO  58          3HB       PRO  58 -11.563  -3.371   5.627
  405   1HG   PRO  58          2HG       PRO  58 -11.102  -4.520   2.944
  406   2HG   PRO  58          3HG       PRO  58 -11.520  -2.874   3.376
  407   1HD   PRO  58          2HD       PRO  58  -8.932  -3.840   2.600
  408   2HD   PRO  58          3HD       PRO  58  -9.327  -2.222   3.144
  409    H    THR  59           HN       THR  59  -7.581  -5.408   4.438
  410    HA   THR  59           HA       THR  59  -6.518  -7.375   4.685
  411    HB   THR  59           HB       THR  59  -8.620  -8.367   6.642
  412    HG1  THR  59           1HG      THR  59  -6.335  -6.596   7.132
  413   1HG2  THR  59          1HG2      THR  59  -6.674  -9.850   6.116
  414   2HG2  THR  59          2HG2      THR  59  -5.560  -8.523   6.526
  415   3HG2  THR  59          3HG2      THR  59  -6.581  -9.251   7.790
  416    H    ASP  60           HN       ASP  60  -9.702  -6.795   3.685
  417    HA   ASP  60           HA       ASP  60 -10.791  -9.126   3.059
  418   1HB   ASP  60          2HB       ASP  60 -10.869  -6.438   2.031
  419   2HB   ASP  60          3HB       ASP  60 -10.843  -7.516   0.649
  420    H    PHE  61           HN       PHE  61  -7.802  -7.714   1.776
  421    HA   PHE  61           HA       PHE  61  -7.623  -9.886  -0.188
  422   1HB   PHE  61          2HB       PHE  61  -6.419  -7.084   0.123
  423   2HB   PHE  61          3HB       PHE  61  -5.703  -8.234  -0.987
  424    HD1  PHE  61           1HD      PHE  61  -6.516  -8.412  -3.163
  425    HD2  PHE  61           2HD      PHE  61  -8.934  -6.562  -0.206
  426    HE1  PHE  61           1HE      PHE  61  -8.155  -7.722  -4.934
  427    HE2  PHE  61           2HE      PHE  61 -10.574  -5.873  -1.978
  428    HZ   PHE  61           HZ       PHE  61 -10.164  -6.461  -4.321
  429    H    LEU  62           HN       LEU  62  -5.001  -7.850   1.185
  430    HA   LEU  62           HA       LEU  62  -3.129  -9.750   1.414
  431   1HB   LEU  62          2HB       LEU  62  -1.977  -8.331   2.852
  432   2HB   LEU  62          3HB       LEU  62  -2.966  -7.280   1.859
  433    HG   LEU  62           HG       LEU  62  -4.632  -7.587   3.967
  434   1HD1  LEU  62          1HD1      LEU  62  -2.254  -7.203   5.612
  435   2HD1  LEU  62          2HD1      LEU  62  -3.694  -8.213   5.888
  436   3HD1  LEU  62          3HD1      LEU  62  -2.345  -8.836   4.907
  437   1HD2  LEU  62          1HD2      LEU  62  -3.196  -5.546   2.819
  438   2HD2  LEU  62          2HD2      LEU  62  -4.356  -5.377   4.158
  439   3HD2  LEU  62          3HD2      LEU  62  -2.616  -5.526   4.501
  440    H    SER  63           HN       SER  63  -2.849 -11.639   2.478
  441    HA   SER  63           HA       SER  63  -4.853 -12.339   4.401
  442   1HB   SER  63          2HB       SER  63  -3.073 -13.733   2.579
  443   2HB   SER  63          3HB       SER  63  -2.874 -14.391   4.190
  444    HG   SER  63           HG       SER  63  -4.661 -15.488   3.778
  445    H    ILE  64           HN       ILE  64  -3.922 -10.504   5.858
  446    HA   ILE  64           HA       ILE  64  -2.389  -9.749   7.362
  447    HB   ILE  64           HB       ILE  64  -2.601 -11.068   9.416
  448   1HG1  ILE  64          2HG1      ILE  64  -4.405 -13.109   8.489
  449   2HG1  ILE  64          3HG1      ILE  64  -2.889 -13.253   7.623
  450   1HG2  ILE  64          1HG2      ILE  64  -5.347 -11.307   8.436
  451   2HG2  ILE  64          2HG2      ILE  64  -4.664 -10.271   9.712
  452   3HG2  ILE  64          3HG2      ILE  64  -4.579  -9.760   8.009
  453   1HD1  ILE  64          1HD1      ILE  64  -2.424 -14.506   9.541
  454   2HD1  ILE  64          2HD1      ILE  64  -1.807 -12.909  10.029
  455   3HD1  ILE  64          3HD1      ILE  64  -3.407 -13.455  10.590
  456    H    ARG  65           HN       ARG  65  -0.402  -9.697   6.188
  457    HA   ARG  65           HA       ARG  65   1.167 -12.066   6.140
  458   1HB   ARG  65          2HB       ARG  65   1.103  -9.611   4.715
  459   2HB   ARG  65          3HB       ARG  65   2.634  -9.583   5.568
  460   1HG   ARG  65          2HG       ARG  65   1.828 -12.114   4.122
  461   2HG   ARG  65          3HG       ARG  65   2.414 -10.759   3.177
  462   1HD   ARG  65          2HD       ARG  65   4.439 -11.821   3.623
  463   2HD   ARG  65          3HD       ARG  65   4.376 -10.735   4.997
  464    HE   ARG  65           HE       ARG  65   3.068 -12.916   5.992
  465   1HH1  ARG  65          1HH1      ARG  65   5.620 -15.228   6.560
  466   2HH1  ARG  65          2HH1      ARG  65   4.010 -14.748   6.982
  467   1HH2  ARG  65          1HH2      ARG  65   6.821 -14.009   4.991
  468   2HH2  ARG  65          2HH2      ARG  65   6.107 -12.620   4.242
  469    H    VAL  66           HN       VAL  66   0.882  -9.080   8.070
  470    HA   VAL  66           HA       VAL  66   1.790  -8.453   9.986
  471    HB   VAL  66           HB       VAL  66   2.720 -11.329  10.119
  472   1HG1  VAL  66          1HG1      VAL  66   2.432  -9.385  12.427
  473   2HG1  VAL  66          2HG1      VAL  66   3.138 -11.019  12.446
  474   3HG1  VAL  66          3HG1      VAL  66   3.975  -9.697  11.597
  475   1HG2  VAL  66          1HG2      VAL  66   0.758 -11.767  11.419
  476   2HG2  VAL  66          2HG2      VAL  66   0.334 -10.040  11.479
  477   3HG2  VAL  66          3HG2      VAL  66   0.235 -10.928   9.939
  478    H    TYR  67           HN       TYR  67   3.271  -6.900   9.467
  479    HA   TYR  67           HA       TYR  67   6.031  -7.782   9.271
  480   1HB   TYR  67          2HB       TYR  67   4.279  -6.771   7.101
  481   2HB   TYR  67          3HB       TYR  67   5.642  -5.694   7.340
  482    HD1  TYR  67           HD1      TYR  67   7.684  -6.163   6.301
  483    HD2  TYR  67           HD2      TYR  67   4.849  -9.322   6.840
  484    HE1  TYR  67           HE1      TYR  67   9.147  -7.721   4.922
  485    HE2  TYR  67           HE2      TYR  67   6.321 -10.869   5.460
  486    HH   TYR  67           HH       TYR  67   9.519 -10.124   4.718
  487    H    LEU  68           HN       LEU  68   3.758  -4.955   9.097
  488    HA   LEU  68           HA       LEU  68   5.515  -3.014   9.897
  489   1HB   LEU  68          2HB       LEU  68   2.553  -3.369  10.274
  490   2HB   LEU  68          3HB       LEU  68   3.383  -1.948  10.871
  491    HG   LEU  68           HG       LEU  68   3.499  -2.826   7.978
  492   1HD1  LEU  68          1HD1      LEU  68   1.876  -0.528   8.226
  493   2HD1  LEU  68          2HD1      LEU  68   1.405  -2.160   7.692
  494   3HD1  LEU  68          3HD1      LEU  68   1.273  -1.712   9.410
  495   1HD2  LEU  68          1HD2      LEU  68   5.314  -1.382   8.505
  496   2HD2  LEU  68          2HD2      LEU  68   4.101  -0.404   7.645
  497   3HD2  LEU  68          3HD2      LEU  68   4.259  -0.273   9.413
  498    H    GLY  69           HN       GLY  69   6.862  -2.961  11.609
  499   1HA   GLY  69          1HA       GLY  69   7.718  -3.542  13.635
  500   2HA   GLY  69          2HA       GLY  69   6.258  -2.750  14.195
  501    H    ALA  70           HN       ALA  70   7.062  -5.953  12.654
  502    HA   ALA  70           HA       ALA  70   5.634  -7.215  14.889
  503   1HB   ALA  70          1HB       ALA  70   5.571  -8.293  12.063
  504   2HB   ALA  70          2HB       ALA  70   4.475  -8.643  13.421
  505   3HB   ALA  70          3HB       ALA  70   4.400  -7.065  12.600
  506    H    GLU  71           HN       GLU  71   7.679  -8.054  11.995
  507    HA   GLU  71           HA       GLU  71   9.366  -9.519  13.872
  508   1HB   GLU  71          2HB       GLU  71   8.219 -11.180  12.577
  509   2HB   GLU  71          3HB       GLU  71   8.430 -10.286  11.084
  510   1HG   GLU  71          2HG       GLU  71  11.038 -10.770  12.269
  511   2HG   GLU  71          3HG       GLU  71  10.158 -12.284  12.196
  512    H    THR  72           HN       THR  72   9.634  -8.745  10.338
  513    HA   THR  72           HA       THR  72  11.446  -7.995   9.220
  514    HB   THR  72           HB       THR  72  11.790  -5.556   9.739
  515    HG1  THR  72           1HG      THR  72  10.399  -4.942  11.713
  516   1HG2  THR  72          1HG2      THR  72   9.628  -4.894   9.181
  517   2HG2  THR  72          2HG2      THR  72   9.441  -6.635   8.865
  518   3HG2  THR  72          3HG2      THR  72   8.884  -5.945  10.409
  519    H    THR  73           HN       THR  73  12.309  -9.927  11.025
  520    HA   THR  73           HA       THR  73  14.874  -8.749  11.871
  521    HB   THR  73           HB       THR  73  13.108  -9.484  13.689
  522    HG1  THR  73           1HG      THR  73  15.123  -9.299  14.596
  523   1HG2  THR  73          1HG2      THR  73  12.900 -11.773  14.156
  524   2HG2  THR  73          2HG2      THR  73  12.960 -11.839  12.377
  525   3HG2  THR  73          3HG2      THR  73  14.424 -12.179  13.331
  526    H    ARG  74           HN       ARG  74  13.098 -11.527  10.473
  527    HA   ARG  74           HA       ARG  74  15.678 -12.649   9.774
  528   1HB   ARG  74          2HB       ARG  74  14.421 -14.729   9.270
  529   2HB   ARG  74          3HB       ARG  74  14.050 -14.172  10.889
  530   1HG   ARG  74          2HG       ARG  74  12.156 -12.852   9.262
  531   2HG   ARG  74          3HG       ARG  74  12.268 -14.458   8.567
  532   1HD   ARG  74          2HD       ARG  74  12.220 -14.667  11.475
  533   2HD   ARG  74          3HD       ARG  74  10.873 -13.682  10.939
  534    HE   ARG  74           HE       ARG  74  10.751 -15.786   9.185
  535   1HH1  ARG  74          1HH1      ARG  74   9.398 -18.356  11.121
  536   2HH1  ARG  74          2HH1      ARG  74   9.650 -17.762   9.514
  537   1HH2  ARG  74          1HH2      ARG  74  10.178 -17.145  12.941
  538   2HH2  ARG  74          2HH2      ARG  74  11.013 -15.648  12.692
  539    H    SER  75           HN       SER  75  12.790 -11.062   8.516
  540    HA   SER  75           HA       SER  75  13.821 -11.503   5.822
  541   1HB   SER  75          2HB       SER  75  11.263 -12.119   6.831
  542   2HB   SER  75          3HB       SER  75  11.020 -10.627   5.945
  543    HG   SER  75           HG       SER  75  12.470 -11.917   4.256
  544    H    MET  76           HN       MET  76  14.166  -9.378   8.136
  545    HA   MET  76           HA       MET  76  13.018  -7.054   7.739
  546   1HB   MET  76          2HB       MET  76  15.426  -6.058   8.113
  547   2HB   MET  76          3HB       MET  76  14.803  -7.155   9.330
  548   1HG   MET  76          2HG       MET  76  15.981  -8.952   7.605
  549   2HG   MET  76          3HG       MET  76  17.020  -7.561   7.366
  550   1HE   MET  76          1HE       MET  76  18.728  -9.082   7.999
  551   2HE   MET  76          2HE       MET  76  19.378  -9.152   9.655
  552   3HE   MET  76          3HE       MET  76  18.244 -10.403   9.090
  553    H    GLY  77           HN       GLY  77  15.885  -8.129   5.768
  554   1HA   GLY  77          1HA       GLY  77  15.590  -7.856   3.333
  555   2HA   GLY  77          2HA       GLY  77  14.989  -6.245   3.668
  556    H    LEU  78           HN       LEU  78  17.639  -7.709   5.561
  557    HA   LEU  78           HA       LEU  78  19.457  -5.787   4.283
  558   1HB   LEU  78          2HB       LEU  78  19.745  -6.849   7.081
  559   2HB   LEU  78          3HB       LEU  78  20.538  -5.471   6.345
  560    HG   LEU  78           HG       LEU  78  17.683  -5.703   7.292
  561   1HD1  LEU  78          1HD1      LEU  78  19.147  -5.067   9.035
  562   2HD1  LEU  78          2HD1      LEU  78  20.023  -3.922   7.990
  563   3HD1  LEU  78          3HD1      LEU  78  18.351  -3.572   8.488
  564   1HD2  LEU  78          1HD2      LEU  78  17.705  -3.189   6.387
  565   2HD2  LEU  78          2HD2      LEU  78  18.794  -3.920   5.184
  566   3HD2  LEU  78          3HD2      LEU  78  17.150  -4.564   5.403
  567    H    ALA  79           HN       ALA  79  19.562  -8.856   6.235
  568    HA   ALA  79           HA       ALA  79  21.871  -9.674   4.682
  569   1HB   ALA  79          1HB       ALA  79  22.237 -11.228   6.397
  570   2HB   ALA  79          2HB       ALA  79  21.491  -9.866   7.266
  571   3HB   ALA  79          3HB       ALA  79  20.515 -11.294   6.842
  572    H    TYR  80           HN       TYR  80  18.395 -10.377   5.094
  573    HA   TYR  80           HA       TYR  80  18.066 -12.809   4.038
  574   1HB   TYR  80          2HB       TYR  80  15.884 -11.949   3.478
  575   2HB   TYR  80          3HB       TYR  80  16.443 -10.804   4.682
  576    HD1  TYR  80           HD1      TYR  80  18.432  -9.305   2.879
  577    HD2  TYR  80           HD2      TYR  80  14.377 -10.540   2.289
  578    HE1  TYR  80           HE1      TYR  80  18.085  -7.406   1.225
  579    HE2  TYR  80           HE2      TYR  80  14.045  -8.636   0.638
  580    HH   TYR  80           HH       TYR  80  16.598  -6.257   0.093
  Start of MODEL    7
    1    H    SER   1           HN       SER   1  -5.701  -5.224  10.208
    2    HA   SER   1           HA       SER   1  -5.367  -3.907   7.963
    3   1HB   SER   1          2HB       SER   1  -6.617  -2.054   9.972
    4   2HB   SER   1          3HB       SER   1  -5.326  -1.403   8.982
    5    HG   SER   1           HG       SER   1  -6.642  -1.338   7.295
    6    H    HIS   2           HN       HIS   2  -3.332  -4.937   8.331
    7    HA   HIS   2           HA       HIS   2  -1.530  -3.338   9.920
    8   1HB   HIS   2          2HB       HIS   2  -0.589  -5.358  11.048
    9   2HB   HIS   2          3HB       HIS   2  -2.180  -4.876  11.604
   10    HD1  HIS   2           HD1      HIS   2  -0.470  -7.537   9.494
   11    HD2  HIS   2           HD2      HIS   2  -4.185  -6.783  11.293
   12    HE1  HIS   2           HE1      HIS   2  -1.812  -9.698   9.296
   13    H    SER   3           HN       SER   3   0.824  -4.204   9.554
   14    HA   SER   3           HA       SER   3   2.428  -4.542   8.133
   15   1HB   SER   3          2HB       SER   3   1.982  -6.868   8.180
   16   2HB   SER   3          3HB       SER   3   0.489  -6.702   7.277
   17    HG   SER   3           HG       SER   3   1.581  -6.952   5.458
   18    H    VAL   4           HN       VAL   4   3.134  -4.367   5.740
   19    HA   VAL   4           HA       VAL   4   1.094  -3.221   4.023
   20    HB   VAL   4           HB       VAL   4   2.523  -1.237   3.587
   21   1HG1  VAL   4          1HG1      VAL   4   1.485   0.025   5.202
   22   2HG1  VAL   4          2HG1      VAL   4   0.551  -1.483   5.346
   23   3HG1  VAL   4          3HG1      VAL   4   1.855  -1.130   6.504
   24   1HG2  VAL   4          1HG2      VAL   4   4.652  -2.138   4.439
   25   2HG2  VAL   4          2HG2      VAL   4   4.236  -0.589   5.212
   26   3HG2  VAL   4          3HG2      VAL   4   3.996  -2.116   6.094
   27    H    LYS   5           HN       LYS   5   2.137  -5.715   3.707
   28    HA   LYS   5           HA       LYS   5   4.561  -5.678   2.219
   29   1HB   LYS   5          2HB       LYS   5   3.796  -7.612   3.558
   30   2HB   LYS   5          3HB       LYS   5   2.434  -7.825   2.477
   31   1HG   LYS   5          2HG       LYS   5   3.753  -9.103   1.149
   32   2HG   LYS   5          3HG       LYS   5   4.684  -7.670   0.762
   33   1HD   LYS   5          2HD       LYS   5   5.472  -8.645   3.390
   34   2HD   LYS   5          3HD       LYS   5   5.541  -9.965   2.238
   35   1HE   LYS   5          2HE       LYS   5   6.797  -8.259   0.682
   36   2HE   LYS   5          3HE       LYS   5   7.013  -7.306   2.137
   37   1HZ   LYS   5          1HZ       LYS   5   7.671  -9.909   2.763
   38   2HZ   LYS   5          2HZ       LYS   5   8.408  -9.582   1.343
   39   3HZ   LYS   5          3HZ       LYS   5   8.678  -8.629   2.642
   40    H    ILE   6           HN       ILE   6   4.857  -5.931  -0.047
   41    HA   ILE   6           HA       ILE   6   3.145  -4.421  -1.617
   42    HB   ILE   6           HB       ILE   6   5.236  -6.469  -2.353
   43   1HG1  ILE   6          2HG1      ILE   6   6.235  -3.984  -2.943
   44   2HG1  ILE   6          3HG1      ILE   6   5.299  -3.645  -1.500
   45   1HG2  ILE   6          1HG2      ILE   6   3.421  -5.853  -4.119
   46   2HG2  ILE   6          2HG2      ILE   6   4.296  -4.305  -4.210
   47   3HG2  ILE   6          3HG2      ILE   6   5.143  -5.830  -4.570
   48   1HD1  ILE   6          1HD1      ILE   6   6.603  -6.070  -0.903
   49   2HD1  ILE   6          2HD1      ILE   6   7.823  -5.107  -1.769
   50   3HD1  ILE   6          3HD1      ILE   6   7.049  -4.454  -0.305
   51    H    TYR   7           HN       TYR   7   1.155  -4.818  -2.407
   52    HA   TYR   7           HA       TYR   7   0.508  -7.362  -3.508
   53   1HB   TYR   7          2HB       TYR   7  -0.555  -6.350  -0.812
   54   2HB   TYR   7          3HB       TYR   7  -1.514  -7.456  -1.775
   55    HD1  TYR   7           HD1      TYR   7   0.207  -7.530   1.046
   56    HD2  TYR   7           HD2      TYR   7   0.457  -9.357  -2.814
   57    HE1  TYR   7           HE1      TYR   7   1.458  -9.501   2.053
   58    HE2  TYR   7           HE2      TYR   7   1.708 -11.323  -1.794
   59    HH   TYR   7           HH       TYR   7   3.046 -11.810   0.105
   60    H    ASP   8           HN       ASP   8  -1.849  -7.378  -4.278
   61    HA   ASP   8           HA       ASP   8  -2.357  -4.763  -5.331
   62   1HB   ASP   8          2HB       ASP   8  -3.850  -5.863  -6.850
   63   2HB   ASP   8          3HB       ASP   8  -2.482  -6.943  -6.665
   64    H    THR   9           HN       THR   9  -2.749  -4.806  -2.532
   65    HA   THR   9           HA       THR   9  -5.570  -5.291  -2.032
   66    HB   THR   9           HB       THR   9  -4.071  -6.008  -0.288
   67    HG1  THR   9           1HG      THR   9  -5.539  -4.910   0.959
   68   1HG2  THR   9          1HG2      THR   9  -1.990  -5.015  -0.271
   69   2HG2  THR   9          2HG2      THR   9  -2.603  -3.527  -1.029
   70   3HG2  THR   9          3HG2      THR   9  -2.772  -3.765   0.726
   71    H    CYS  10           HN       CYS  10  -6.695  -3.805  -3.294
   72    HA   CYS  10           HA       CYS  10  -6.807  -1.209  -2.120
   73   1HB   CYS  10          2HB       CYS  10  -4.892  -1.177  -3.905
   74   2HB   CYS  10          3HB       CYS  10  -6.200  -1.180  -5.070
   75    H    ILE  11           HN       ILE  11  -8.980  -0.706  -2.109
   76    HA   ILE  11           HA       ILE  11 -10.641  -2.092  -4.096
   77    HB   ILE  11           HB       ILE  11 -12.339  -2.277  -2.529
   78   1HG1  ILE  11          2HG1      ILE  11 -12.147   0.111  -1.740
   79   2HG1  ILE  11          3HG1      ILE  11 -12.592  -1.063  -0.518
   80   1HG2  ILE  11          1HG2      ILE  11 -10.781  -3.935  -2.000
   81   2HG2  ILE  11          2HG2      ILE  11  -9.650  -2.774  -1.265
   82   3HG2  ILE  11          3HG2      ILE  11 -11.167  -3.187  -0.432
   83   1HD1  ILE  11          1HD1      ILE  11  -9.976   0.399  -0.884
   84   2HD1  ILE  11          2HD1      ILE  11 -10.924   0.137   0.600
   85   3HD1  ILE  11          3HD1      ILE  11  -9.970  -1.197  -0.094
   86    H    GLY  12           HN       GLY  12  -9.471   0.951  -2.874
   87   1HA   GLY  12          1HA       GLY  12 -10.042   2.610  -4.801
   88   2HA   GLY  12          2HA       GLY  12 -11.656   2.443  -4.140
   89    H    CYS  13           HN       CYS  13 -10.803   2.073  -1.328
   90    HA   CYS  13           HA       CYS  13 -11.008   4.547  -0.358
   91   1HB   CYS  13          2HB       CYS  13 -10.925   3.396   1.546
   92   2HB   CYS  13          3HB       CYS  13 -10.300   2.001   0.688
   93    H    THR  14           HN       THR  14  -9.395   6.095   0.592
   94    HA   THR  14           HA       THR  14  -6.903   6.081  -0.981
   95    HB   THR  14           HB       THR  14  -8.546   7.893  -1.546
   96    HG1  THR  14           1HG      THR  14  -6.080   8.111  -1.332
   97   1HG2  THR  14          1HG2      THR  14  -9.184   9.560   0.046
   98   2HG2  THR  14          2HG2      THR  14  -9.433   8.031   0.921
   99   3HG2  THR  14          3HG2      THR  14  -7.978   9.006   1.232
  100    H    GLN  15           HN       GLN  15  -6.907   4.479   1.259
  101    HA   GLN  15           HA       GLN  15  -5.464   6.171   3.149
  102   1HB   GLN  15          2HB       GLN  15  -6.424   5.072   4.913
  103   2HB   GLN  15          3HB       GLN  15  -7.684   4.726   3.744
  104   1HG   GLN  15          2HG       GLN  15  -6.442   2.576   3.154
  105   2HG   GLN  15          3HG       GLN  15  -5.343   2.908   4.477
  106   1HE2  GLN  15          1HE2      GLN  15  -6.534   0.625   4.685
  107   2HE2  GLN  15          2HE2      GLN  15  -7.829   0.601   5.834
  108    H    CYS  16           HN       CYS  16  -3.487   5.279   4.090
  109    HA   CYS  16           HA       CYS  16  -1.776   3.830   4.236
  110   1HB   CYS  16          2HB       CYS  16  -1.807   1.723   3.402
  111   2HB   CYS  16          3HB       CYS  16  -3.501   2.081   3.135
  112    H    VAL  17           HN       VAL  17  -2.998   5.041   1.086
  113    HA   VAL  17           HA       VAL  17  -0.313   5.350   0.061
  114    HB   VAL  17           HB       VAL  17  -2.881   6.350  -1.158
  115   1HG1  VAL  17          1HG1      VAL  17  -1.566   5.685  -3.269
  116   2HG1  VAL  17          2HG1      VAL  17  -1.030   7.133  -2.383
  117   3HG1  VAL  17          3HG1      VAL  17  -0.145   5.600  -2.200
  118   1HG2  VAL  17          1HG2      VAL  17  -1.763   3.529  -1.253
  119   2HG2  VAL  17          2HG2      VAL  17  -3.319   4.045  -0.563
  120   3HG2  VAL  17          3HG2      VAL  17  -3.047   4.151  -2.318
  121    H    ARG  18           HN       ARG  18  -2.286   6.979   2.257
  122    HA   ARG  18           HA       ARG  18  -1.148   9.532   1.451
  123   1HB   ARG  18          2HB       ARG  18  -3.779   8.737   2.474
  124   2HB   ARG  18          3HB       ARG  18  -3.072   9.962   3.508
  125   1HG   ARG  18          2HG       ARG  18  -4.211  11.229   1.859
  126   2HG   ARG  18          3HG       ARG  18  -2.544  11.269   1.320
  127   1HD   ARG  18          2HD       ARG  18  -3.793   8.893   0.228
  128   2HD   ARG  18          3HD       ARG  18  -4.839  10.261  -0.095
  129    HE   ARG  18           HE       ARG  18  -2.382  11.266  -0.789
  130   1HH1  ARG  18          1HH1      ARG  18  -1.749   9.753  -3.869
  131   2HH1  ARG  18          2HH1      ARG  18  -1.374  11.090  -2.832
  132   1HH2  ARG  18          1HH2      ARG  18  -3.272   8.142  -3.182
  133   2HH2  ARG  18          2HH2      ARG  18  -4.035   8.277  -1.633
  134    H    ALA  19           HN       ALA  19  -2.106   7.612   4.398
  135    HA   ALA  19           HA       ALA  19  -0.487   9.120   6.146
  136   1HB   ALA  19          1HB       ALA  19  -1.449   6.264   6.533
  137   2HB   ALA  19          2HB       ALA  19  -1.144   7.502   7.776
  138   3HB   ALA  19          3HB       ALA  19  -2.530   7.670   6.673
  139    H    CYS  20           HN       CYS  20   1.576   9.261   5.032
  140    HA   CYS  20           HA       CYS  20   3.411   7.395   5.926
  141   1HB   CYS  20          2HB       CYS  20   2.412   5.889   4.230
  142   2HB   CYS  20          3HB       CYS  20   2.793   7.049   2.973
  143    HA   PRO  21           HA       PRO  21   5.001  11.387   4.648
  144   1HB   PRO  21          2HB       PRO  21   6.599  11.805   6.823
  145   2HB   PRO  21          3HB       PRO  21   4.934  12.343   6.741
  146   1HG   PRO  21          2HG       PRO  21   6.073  10.059   8.234
  147   2HG   PRO  21          3HG       PRO  21   4.531  10.862   8.462
  148   1HD   PRO  21          2HD       PRO  21   4.975   8.329   7.190
  149   2HD   PRO  21          3HD       PRO  21   3.451   9.186   7.317
  150    H    LEU  22           HN       LEU  22   6.424   8.393   5.273
  151    HA   LEU  22           HA       LEU  22   9.039   9.259   4.416
  152   1HB   LEU  22          2HB       LEU  22   7.855   6.593   5.181
  153   2HB   LEU  22          3HB       LEU  22   9.490   6.767   4.574
  154    HG   LEU  22           HG       LEU  22   8.757   8.509   6.869
  155   1HD1  LEU  22          1HD1      LEU  22   7.638   6.456   7.527
  156   2HD1  LEU  22          2HD1      LEU  22   9.110   5.516   7.186
  157   3HD1  LEU  22          3HD1      LEU  22   9.100   6.707   8.509
  158   1HD2  LEU  22          1HD2      LEU  22  11.106   7.653   5.549
  159   2HD2  LEU  22          2HD2      LEU  22  10.960   8.728   6.960
  160   3HD2  LEU  22          3HD2      LEU  22  11.159   6.974   7.192
  161    H    ASP  23           HN       ASP  23   6.197   9.019   2.827
  162    HA   ASP  23           HA       ASP  23   5.537   8.466   0.818
  163   1HB   ASP  23          2HB       ASP  23   6.980   9.277  -1.012
  164   2HB   ASP  23          3HB       ASP  23   7.009  10.399   0.334
  165    H    VAL  24           HN       VAL  24   5.713   6.070   1.678
  166    HA   VAL  24           HA       VAL  24   7.803   4.610   0.235
  167    HB   VAL  24           HB       VAL  24   5.983   3.738   2.488
  168   1HG1  VAL  24          1HG1      VAL  24   7.806   1.902   2.640
  169   2HG1  VAL  24          2HG1      VAL  24   6.570   1.771   1.366
  170   3HG1  VAL  24          3HG1      VAL  24   8.200   2.367   0.968
  171   1HG2  VAL  24          1HG2      VAL  24   7.828   4.014   3.980
  172   2HG2  VAL  24          2HG2      VAL  24   8.945   4.366   2.640
  173   3HG2  VAL  24          3HG2      VAL  24   7.670   5.533   3.064
  174    H    LEU  25           HN       LEU  25   4.270   4.400   1.072
  175    HA   LEU  25           HA       LEU  25   3.739   2.486  -0.913
  176   1HB   LEU  25          2HB       LEU  25   1.839   4.425   0.413
  177   2HB   LEU  25          3HB       LEU  25   1.409   2.950  -0.430
  178    HG   LEU  25           HG       LEU  25   3.111   1.948   1.438
  179   1HD1  LEU  25          1HD1      LEU  25   2.117   3.149   3.591
  180   2HD1  LEU  25          2HD1      LEU  25   3.615   3.699   2.803
  181   3HD1  LEU  25          3HD1      LEU  25   2.080   4.543   2.485
  182   1HD2  LEU  25          1HD2      LEU  25   0.311   1.954   0.910
  183   2HD2  LEU  25          2HD2      LEU  25   1.288   0.732   1.759
  184   3HD2  LEU  25          3HD2      LEU  25   0.546   2.069   2.670
  185    H    GLU  26           HN       GLU  26   4.087   2.811  -3.046
  186    HA   GLU  26           HA       GLU  26   3.234   5.405  -4.077
  187   1HB   GLU  26          2HB       GLU  26   5.510   3.624  -5.053
  188   2HB   GLU  26          3HB       GLU  26   4.972   5.076  -5.874
  189   1HG   GLU  26          2HG       GLU  26   5.389   6.323  -3.642
  190   2HG   GLU  26          3HG       GLU  26   6.208   4.874  -3.095
  191    H    MET  27           HN       MET  27   3.295   4.869  -6.820
  192    HA   MET  27           HA       MET  27   1.089   3.012  -6.979
  193   1HB   MET  27          2HB       MET  27   0.967   4.047  -9.365
  194   2HB   MET  27          3HB       MET  27   0.653   5.139  -8.032
  195   1HG   MET  27          2HG       MET  27   2.688   6.271  -8.284
  196   2HG   MET  27          3HG       MET  27   3.513   4.872  -8.941
  197   1HE   MET  27          1HE       MET  27   0.531   7.651 -10.736
  198   2HE   MET  27          2HE       MET  27   1.377   7.688  -9.170
  199   3HE   MET  27          3HE       MET  27   2.142   8.397 -10.612
  200    H    VAL  28           HN       VAL  28   1.143   1.068  -8.099
  201    HA   VAL  28           HA       VAL  28   3.622   0.505  -9.570
  202    HB   VAL  28           HB       VAL  28   3.881  -1.538  -8.553
  203   1HG1  VAL  28          1HG1      VAL  28   2.697  -0.567  -6.056
  204   2HG1  VAL  28          2HG1      VAL  28   4.399  -0.879  -6.473
  205   3HG1  VAL  28          3HG1      VAL  28   3.648   0.678  -6.902
  206   1HG2  VAL  28          1HG2      VAL  28   0.987  -1.389  -7.646
  207   2HG2  VAL  28          2HG2      VAL  28   1.660  -2.435  -8.919
  208   3HG2  VAL  28          3HG2      VAL  28   2.123  -2.692  -7.219
  209    HA   PRO  29           HA       PRO  29   1.029  -1.000 -12.684
  210   1HB   PRO  29          2HB       PRO  29   2.317  -3.198 -13.673
  211   2HB   PRO  29          3HB       PRO  29   2.788  -1.556 -14.062
  212   1HG   PRO  29          2HG       PRO  29   4.102  -3.478 -12.240
  213   2HG   PRO  29          3HG       PRO  29   4.761  -2.025 -12.964
  214   1HD   PRO  29          2HD       PRO  29   3.875  -2.343 -10.254
  215   2HD   PRO  29          3HD       PRO  29   4.427  -0.861 -11.010
  216    H    TRP  30           HN       TRP  30  -1.003  -1.611 -12.321
  217    HA   TRP  30           HA       TRP  30  -1.258  -4.363 -11.327
  218   1HB   TRP  30          2HB       TRP  30  -1.670  -2.853  -9.476
  219   2HB   TRP  30          3HB       TRP  30  -2.822  -1.938 -10.427
  220    HD1  TRP  30           HD1      TRP  30  -5.274  -2.586  -9.837
  221    HE1  TRP  30           HE1      TRP  30  -6.624  -4.685  -8.980
  222    HE3  TRP  30           HE3      TRP  30  -1.287  -5.738  -9.668
  223    HZ2  TRP  30           HZ2      TRP  30  -5.889  -7.369  -8.342
  224    HZ3  TRP  30           HZ3      TRP  30  -1.690  -8.081  -8.916
  225    HH2  TRP  30           HH2      TRP  30  -3.896  -8.911  -8.267
  226    H    ASP  31           HN       ASP  31  -3.734  -5.035 -11.738
  227    HA   ASP  31           HA       ASP  31  -4.597  -3.846 -14.238
  228   1HB   ASP  31          2HB       ASP  31  -3.205  -6.142 -14.347
  229   2HB   ASP  31          3HB       ASP  31  -4.746  -6.844 -13.896
  230    H    GLY  32           HN       GLY  32  -5.947  -3.041 -12.134
  231   1HA   GLY  32          1HA       GLY  32  -8.424  -4.569 -12.155
  232   2HA   GLY  32          2HA       GLY  32  -7.620  -4.434 -10.603
  233    H    CYS  33           HN       CYS  33  -6.436  -1.749 -11.171
  234    HA   CYS  33           HA       CYS  33  -8.719  -0.233 -10.377
  235   1HB   CYS  33          2HB       CYS  33  -5.941  -0.047  -9.988
  236   2HB   CYS  33          3HB       CYS  33  -6.352   1.356 -10.953
  237    HG   CYS  33           HG       CYS  33  -6.492   1.101  -7.981
  238    H    LYS  34           HN       LYS  34  -9.028   2.032 -11.512
  239    HA   LYS  34           HA       LYS  34  -9.726   1.521 -14.187
  240   1HB   LYS  34          2HB       LYS  34 -10.160   3.554 -12.201
  241   2HB   LYS  34          3HB       LYS  34  -9.676   4.322 -13.699
  242   1HG   LYS  34          2HG       LYS  34 -11.715   2.097 -13.833
  243   2HG   LYS  34          3HG       LYS  34 -12.234   3.659 -13.231
  244   1HD   LYS  34          2HD       LYS  34 -12.524   4.229 -15.419
  245   2HD   LYS  34          3HD       LYS  34 -10.779   4.387 -15.482
  246   1HE   LYS  34          2HE       LYS  34 -10.624   1.938 -16.118
  247   2HE   LYS  34          3HE       LYS  34 -12.375   1.869 -16.156
  248   1HZ   LYS  34          1HZ       LYS  34 -11.566   2.290 -18.324
  249   2HZ   LYS  34          2HZ       LYS  34 -12.295   3.660 -17.814
  250   3HZ   LYS  34          3HZ       LYS  34 -10.665   3.563 -17.838
  251    H    ALA  35           HN       ALA  35  -6.780   2.573 -12.621
  252    HA   ALA  35           HA       ALA  35  -5.713   3.344 -15.250
  253   1HB   ALA  35          1HB       ALA  35  -4.206   4.799 -14.117
  254   2HB   ALA  35          2HB       ALA  35  -5.789   5.065 -13.347
  255   3HB   ALA  35          3HB       ALA  35  -4.562   4.063 -12.536
  256    H    GLY  36           HN       GLY  36  -6.142   0.603 -13.900
  257   1HA   GLY  36          1HA       GLY  36  -4.963  -1.274 -13.424
  258   2HA   GLY  36          2HA       GLY  36  -4.087  -0.816 -14.870
  259    H    GLN  37           HN       GLN  37  -4.205   0.603 -11.522
  260    HA   GLN  37           HA       GLN  37  -1.496  -0.218 -11.107
  261   1HB   GLN  37          2HB       GLN  37  -0.667   2.089 -10.661
  262   2HB   GLN  37          3HB       GLN  37  -1.119   1.862 -12.339
  263   1HG   GLN  37          2HG       GLN  37  -2.506   3.645 -12.161
  264   2HG   GLN  37          3HG       GLN  37  -3.502   2.716 -11.057
  265   1HE2  GLN  37          1HE2      GLN  37  -3.680   3.329  -9.023
  266   2HE2  GLN  37          2HE2      GLN  37  -2.731   4.536  -8.221
  267    H    ILE  38           HN       ILE  38  -1.380  -0.892  -9.008
  268    HA   ILE  38           HA       ILE  38  -3.389   0.193  -7.172
  269    HB   ILE  38           HB       ILE  38  -2.926  -2.372  -7.833
  270   1HG1  ILE  38          2HG1      ILE  38  -3.685  -2.312  -5.058
  271   2HG1  ILE  38          3HG1      ILE  38  -4.392  -0.932  -5.873
  272   1HG2  ILE  38          1HG2      ILE  38  -1.421  -3.486  -6.560
  273   2HG2  ILE  38          2HG2      ILE  38  -0.598  -1.908  -6.589
  274   3HG2  ILE  38          3HG2      ILE  38  -1.585  -2.371  -5.183
  275   1HD1  ILE  38          1HD1      ILE  38  -5.892  -2.886  -6.030
  276   2HD1  ILE  38          2HD1      ILE  38  -5.300  -2.435  -7.648
  277   3HD1  ILE  38          3HD1      ILE  38  -4.597  -3.834  -6.800
  278    H    ALA  39           HN       ALA  39  -2.777   0.971  -5.103
  279    HA   ALA  39           HA       ALA  39  -0.143   2.110  -5.082
  280   1HB   ALA  39          1HB       ALA  39  -0.964   3.217  -3.036
  281   2HB   ALA  39          2HB       ALA  39  -2.145   3.367  -4.360
  282   3HB   ALA  39          3HB       ALA  39  -2.416   2.187  -3.055
  283    H    SER  40           HN       SER  40   1.557   0.794  -4.601
  284    HA   SER  40           HA       SER  40   1.216  -0.847  -2.219
  285   1HB   SER  40          2HB       SER  40   3.014  -1.768  -4.465
  286   2HB   SER  40          3HB       SER  40   2.250  -2.718  -3.206
  287    HG   SER  40           HG       SER  40   1.207  -1.819  -5.682
  288    H    SER  41           HN       SER  41   3.901  -1.815  -2.094
  289    HA   SER  41           HA       SER  41   5.350   0.709  -1.875
  290   1HB   SER  41          2HB       SER  41   4.780  -0.159   0.348
  291   2HB   SER  41          3HB       SER  41   5.435  -1.734  -0.053
  292    HG   SER  41           HG       SER  41   7.001  -0.599   1.152
  293    HA   PRO  42           HA       PRO  42   7.725  -1.906  -4.664
  294   1HB   PRO  42          2HB       PRO  42   8.476   0.067  -6.400
  295   2HB   PRO  42          3HB       PRO  42   7.036  -0.906  -6.621
  296   1HG   PRO  42          2HG       PRO  42   7.256   1.897  -5.710
  297   2HG   PRO  42          3HG       PRO  42   5.854   1.053  -6.338
  298   1HD   PRO  42          2HD       PRO  42   6.391   1.684  -3.591
  299   2HD   PRO  42          3HD       PRO  42   5.049   0.740  -4.207
  300    H    ARG  43           HN       ARG  43   8.892   1.404  -4.203
  301    HA   ARG  43           HA       ARG  43  11.489   0.299  -3.746
  302   1HB   ARG  43          2HB       ARG  43  10.408   3.154  -3.851
  303   2HB   ARG  43          3HB       ARG  43  12.083   2.806  -3.473
  304   1HG   ARG  43          2HG       ARG  43  12.414   1.705  -5.639
  305   2HG   ARG  43          3HG       ARG  43  10.703   1.803  -6.004
  306   1HD   ARG  43          2HD       ARG  43  10.787   4.233  -6.165
  307   2HD   ARG  43          3HD       ARG  43  12.406   4.285  -5.499
  308    HE   ARG  43           HE       ARG  43  11.662   3.553  -8.255
  309   1HH1  ARG  43          1HH1      ARG  43  15.002   3.205  -9.206
  310   2HH1  ARG  43          2HH1      ARG  43  13.364   3.305  -9.760
  311   1HH2  ARG  43          1HH2      ARG  43  15.468   3.323  -6.936
  312   2HH2  ARG  43          2HH2      ARG  43  14.178   3.511  -5.795
  313    H    THR  44           HN       THR  44  11.054  -0.853  -1.711
  314    HA   THR  44           HA       THR  44  10.126   0.652   0.557
  315    HB   THR  44           HB       THR  44  11.331  -2.155   0.314
  316    HG1  THR  44           1HG      THR  44   9.333  -1.438  -0.983
  317   1HG2  THR  44          1HG2      THR  44  10.827  -2.396   2.529
  318   2HG2  THR  44          2HG2      THR  44  10.500  -0.647   2.603
  319   3HG2  THR  44          3HG2      THR  44   9.180  -1.786   2.244
  320    H    GLU  45           HN       GLU  45  12.862   1.049  -1.102
  321    HA   GLU  45           HA       GLU  45  14.970   0.589   0.476
  322   1HB   GLU  45          2HB       GLU  45  16.076   2.418  -0.646
  323   2HB   GLU  45          3HB       GLU  45  14.955   1.708  -1.790
  324   1HG   GLU  45          2HG       GLU  45  13.335   3.489  -1.444
  325   2HG   GLU  45          3HG       GLU  45  14.217   4.111  -0.063
  326    H    ASP  46           HN       ASP  46  12.291   2.789   1.093
  327    HA   ASP  46           HA       ASP  46  13.786   4.015   3.252
  328   1HB   ASP  46          2HB       ASP  46  11.773   4.923   1.434
  329   2HB   ASP  46          3HB       ASP  46  11.018   4.904   3.016
  330    H    CYS  47           HN       CYS  47  11.433   4.646   4.881
  331    HA   CYS  47           HA       CYS  47  10.029   3.812   6.360
  332   1HB   CYS  47          2HB       CYS  47   8.998   2.503   4.524
  333   2HB   CYS  47          3HB       CYS  47  10.120   1.192   4.827
  334    H    VAL  48           HN       VAL  48  10.396   2.970   8.462
  335    HA   VAL  48           HA       VAL  48  12.555   1.049   8.777
  336    HB   VAL  48           HB       VAL  48  13.725   3.138   8.847
  337   1HG1  VAL  48          1HG1      VAL  48  13.071   5.056   9.928
  338   2HG1  VAL  48          2HG1      VAL  48  11.477   4.369   9.537
  339   3HG1  VAL  48          3HG1      VAL  48  12.151   4.178  11.173
  340   1HG2  VAL  48          1HG2      VAL  48  14.939   2.689  10.715
  341   2HG2  VAL  48          2HG2      VAL  48  13.509   2.665  11.775
  342   3HG2  VAL  48          3HG2      VAL  48  13.892   1.249  10.766
  343    H    GLY  49           HN       GLY  49  10.060   3.169  10.320
  344   1HA   GLY  49          1HA       GLY  49   8.545   1.162  11.415
  345   2HA   GLY  49          2HA       GLY  49   9.784   1.480  12.613
  346    H    CYS  50           HN       CYS  50   7.694   3.437  10.360
  347    HA   CYS  50           HA       CYS  50   7.287   5.279  12.594
  348   1HB   CYS  50          2HB       CYS  50   7.442   6.993  11.158
  349   2HB   CYS  50          3HB       CYS  50   8.138   5.840  10.037
  350    H    LYS  51           HN       LYS  51   5.296   5.176  13.578
  351    HA   LYS  51           HA       LYS  51   3.275   3.506  12.419
  352   1HB   LYS  51          2HB       LYS  51   3.762   3.454  14.822
  353   2HB   LYS  51          3HB       LYS  51   3.324   5.144  14.971
  354   1HG   LYS  51          2HG       LYS  51   1.134   3.911  13.631
  355   2HG   LYS  51          3HG       LYS  51   1.588   2.797  14.905
  356   1HD   LYS  51          2HD       LYS  51   1.594   5.596  15.836
  357   2HD   LYS  51          3HD       LYS  51   0.030   5.120  15.204
  358   1HE   LYS  51          2HE       LYS  51   0.329   2.960  16.672
  359   2HE   LYS  51          3HE       LYS  51   1.592   3.860  17.488
  360   1HZ   LYS  51          1HZ       LYS  51  -1.175   4.112  17.765
  361   2HZ   LYS  51          2HZ       LYS  51   0.006   4.828  18.637
  362   3HZ   LYS  51          3HZ       LYS  51  -0.563   5.548  17.286
  363    H    ARG  52           HN       ARG  52   2.497   4.441  10.524
  364    HA   ARG  52           HA       ARG  52   0.941   6.826  11.011
  365   1HB   ARG  52          2HB       ARG  52   3.302   6.642   9.256
  366   2HB   ARG  52          3HB       ARG  52   1.881   7.140   8.359
  367   1HG   ARG  52          2HG       ARG  52   2.566   9.221   9.119
  368   2HG   ARG  52          3HG       ARG  52   1.535   8.773  10.464
  369   1HD   ARG  52          2HD       ARG  52   3.594   7.804  11.625
  370   2HD   ARG  52          3HD       ARG  52   4.572   8.457  10.326
  371    HE   ARG  52           HE       ARG  52   2.987  10.601  11.254
  372   1HH1  ARG  52          1HH1      ARG  52   5.072  11.726  13.816
  373   2HH1  ARG  52          2HH1      ARG  52   3.759  12.134  12.762
  374   1HH2  ARG  52          1HH2      ARG  52   6.047   9.624  13.697
  375   2HH2  ARG  52          2HH2      ARG  52   5.462   8.462  12.554
  376    H    CYS  53           HN       CYS  53   1.894   4.240   8.643
  377    HA   CYS  53           HA       CYS  53  -0.412   4.390   7.103
  378   1HB   CYS  53          2HB       CYS  53   0.230   1.982   6.477
  379   2HB   CYS  53          3HB       CYS  53   1.385   3.253   6.125
  380    H    GLU  54           HN       GLU  54   0.463   1.623   9.296
  381    HA   GLU  54           HA       GLU  54  -0.852   0.193  10.322
  382   1HB   GLU  54          2HB       GLU  54  -0.561   2.265  11.865
  383   2HB   GLU  54          3HB       GLU  54  -2.236   2.629  11.498
  384   1HG   GLU  54          2HG       GLU  54  -2.562   0.030  12.151
  385   2HG   GLU  54          3HG       GLU  54  -1.089   0.318  13.056
  386    H    THR  55           HN       THR  55  -1.852   0.907   7.666
  387    HA   THR  55           HA       THR  55  -4.692   0.324   8.132
  388    HB   THR  55           HB       THR  55  -5.155   1.868   6.156
  389    HG1  THR  55           1HG      THR  55  -2.469   2.799   6.823
  390   1HG2  THR  55          1HG2      THR  55  -4.013   3.975   7.593
  391   2HG2  THR  55          2HG2      THR  55  -5.625   3.288   7.904
  392   3HG2  THR  55          3HG2      THR  55  -4.221   2.722   8.841
  393    H    ALA  56           HN       ALA  56  -2.918   0.845   5.061
  394    HA   ALA  56           HA       ALA  56  -2.232  -0.608   3.513
  395   1HB   ALA  56          1HB       ALA  56  -1.959  -2.122   5.796
  396   2HB   ALA  56          2HB       ALA  56  -3.093  -3.107   4.841
  397   3HB   ALA  56          3HB       ALA  56  -1.509  -2.660   4.160
  398    H    CYS  57           HN       CYS  57  -5.198  -1.830   5.228
  399    HA   CYS  57           HA       CYS  57  -6.960  -1.066   3.285
  400   1HB   CYS  57          2HB       CYS  57  -5.423  -3.209   2.287
  401   2HB   CYS  57          3HB       CYS  57  -6.961  -3.917   2.739
  402    HA   PRO  58           HA       PRO  58  -9.345  -2.578   6.608
  403   1HB   PRO  58          2HB       PRO  58 -11.866  -2.252   5.604
  404   2HB   PRO  58          3HB       PRO  58 -10.937  -0.942   6.306
  405   1HG   PRO  58          2HG       PRO  58 -11.508  -1.492   3.457
  406   2HG   PRO  58          3HG       PRO  58 -10.963  -0.001   4.201
  407   1HD   PRO  58          2HD       PRO  58  -9.368  -1.852   2.698
  408   2HD   PRO  58          3HD       PRO  58  -8.803  -0.422   3.538
  409    H    THR  59           HN       THR  59  -8.110  -4.643   5.492
  410    HA   THR  59           HA       THR  59  -8.277  -6.833   5.146
  411    HB   THR  59           HB       THR  59  -9.775  -7.964   6.587
  412    HG1  THR  59           1HG      THR  59 -11.801  -7.454   5.750
  413   1HG2  THR  59          1HG2      THR  59  -9.631  -6.781   8.553
  414   2HG2  THR  59          2HG2      THR  59  -8.792  -5.545   7.584
  415   3HG2  THR  59          3HG2      THR  59 -10.542  -5.408   7.882
  416    H    ASP  60           HN       ASP  60  -8.596  -8.056   3.372
  417    HA   ASP  60           HA       ASP  60 -10.812  -8.596   2.075
  418   1HB   ASP  60          2HB       ASP  60 -10.128  -5.779   1.603
  419   2HB   ASP  60          3HB       ASP  60 -10.160  -6.673   0.096
  420    H    PHE  61           HN       PHE  61  -7.440  -7.540   1.978
  421    HA   PHE  61           HA       PHE  61  -6.923  -9.555  -0.083
  422   1HB   PHE  61          2HB       PHE  61  -6.091  -6.630   0.176
  423   2HB   PHE  61          3HB       PHE  61  -4.987  -7.741  -0.613
  424    HD1  PHE  61           1HD      PHE  61  -7.789  -5.621  -1.054
  425    HD2  PHE  61           2HD      PHE  61  -5.954  -9.131  -2.581
  426    HE1  PHE  61           1HE      PHE  61  -9.045  -5.341  -3.209
  427    HE2  PHE  61           2HE      PHE  61  -7.210  -8.850  -4.736
  428    HZ   PHE  61           HZ       PHE  61  -8.740  -6.958  -5.024
  429    H    LEU  62           HN       LEU  62  -4.923  -7.213   1.841
  430    HA   LEU  62           HA       LEU  62  -2.815  -8.838   2.306
  431   1HB   LEU  62          2HB       LEU  62  -2.222  -7.396   4.077
  432   2HB   LEU  62          3HB       LEU  62  -3.013  -6.432   2.845
  433    HG   LEU  62           HG       LEU  62  -4.826  -7.411   4.957
  434   1HD1  LEU  62          1HD1      LEU  62  -2.348  -5.920   5.640
  435   2HD1  LEU  62          2HD1      LEU  62  -3.866  -5.350   6.375
  436   3HD1  LEU  62          3HD1      LEU  62  -3.335  -7.031   6.620
  437   1HD2  LEU  62          1HD2      LEU  62  -5.944  -5.464   4.567
  438   2HD2  LEU  62          2HD2      LEU  62  -4.458  -4.533   4.262
  439   3HD2  LEU  62          3HD2      LEU  62  -5.095  -5.626   3.011
  440    H    SER  63           HN       SER  63  -2.328 -10.615   3.523
  441    HA   SER  63           HA       SER  63  -3.359 -11.300   5.897
  442   1HB   SER  63          2HB       SER  63  -5.000 -13.185   5.175
  443   2HB   SER  63          3HB       SER  63  -5.598 -11.538   5.207
  444    HG   SER  63           HG       SER  63  -5.158 -13.257   3.016
  445    H    ILE  64           HN       ILE  64  -0.927 -11.461   4.471
  446    HA   ILE  64           HA       ILE  64  -0.544 -14.366   4.436
  447    HB   ILE  64           HB       ILE  64   0.449 -12.364   2.411
  448   1HG1  ILE  64          2HG1      ILE  64  -0.635 -14.632   1.169
  449   2HG1  ILE  64          3HG1      ILE  64  -1.732 -14.286   2.492
  450   1HG2  ILE  64          1HG2      ILE  64   1.780 -14.697   3.396
  451   2HG2  ILE  64          2HG2      ILE  64   1.251 -14.996   1.723
  452   3HG2  ILE  64          3HG2      ILE  64   2.270 -13.585   2.096
  453   1HD1  ILE  64          1HD1      ILE  64  -2.197 -12.089   1.708
  454   2HD1  ILE  64          2HD1      ILE  64  -0.749 -12.060   0.674
  455   3HD1  ILE  64          3HD1      ILE  64  -2.143 -13.073   0.226
  456    H    ARG  65           HN       ARG  65   1.547 -11.431   4.004
  457    HA   ARG  65           HA       ARG  65   3.234 -12.530   6.065
  458   1HB   ARG  65          2HB       ARG  65   3.551 -10.498   3.859
  459   2HB   ARG  65          3HB       ARG  65   4.583 -10.312   5.263
  460   1HG   ARG  65          2HG       ARG  65   4.562 -13.111   4.530
  461   2HG   ARG  65          3HG       ARG  65   4.865 -12.171   3.081
  462   1HD   ARG  65          2HD       ARG  65   6.903 -11.370   3.849
  463   2HD   ARG  65          3HD       ARG  65   6.377 -11.306   5.520
  464    HE   ARG  65           HE       ARG  65   7.280 -13.431   5.815
  465   1HH1  ARG  65          1HH1      ARG  65   8.076 -15.959   3.546
  466   2HH1  ARG  65          2HH1      ARG  65   8.132 -15.461   5.203
  467   1HH2  ARG  65          1HH2      ARG  65   7.138 -14.564   1.946
  468   2HH2  ARG  65          2HH2      ARG  65   6.493 -13.024   2.410
  469    H    VAL  66           HN       VAL  66   3.993 -11.168   7.888
  470    HA   VAL  66           HA       VAL  66   2.123  -8.975   8.473
  471    HB   VAL  66           HB       VAL  66   1.711 -11.057   9.765
  472   1HG1  VAL  66          1HG1      VAL  66   3.259 -11.910  11.348
  473   2HG1  VAL  66          2HG1      VAL  66   4.175 -11.705   9.835
  474   3HG1  VAL  66          3HG1      VAL  66   4.349 -10.517  11.149
  475   1HG2  VAL  66          1HG2      VAL  66   2.733  -8.803  11.518
  476   2HG2  VAL  66          2HG2      VAL  66   1.198  -8.745  10.617
  477   3HG2  VAL  66          3HG2      VAL  66   1.441  -9.971  11.885
  478    H    TYR  67           HN       TYR  67   3.016  -7.212   9.773
  479    HA   TYR  67           HA       TYR  67   5.927  -7.179   9.953
  480   1HB   TYR  67          2HB       TYR  67   4.077  -5.658   8.134
  481   2HB   TYR  67          3HB       TYR  67   5.208  -4.634   8.994
  482    HD1  TYR  67           HD1      TYR  67   5.054  -7.647   6.787
  483    HD2  TYR  67           HD2      TYR  67   7.412  -4.374   8.213
  484    HE1  TYR  67           HE1      TYR  67   6.856  -8.191   5.079
  485    HE2  TYR  67           HE2      TYR  67   9.207  -4.929   6.500
  486    HH   TYR  67           HH       TYR  67   8.637  -7.189   3.962
  487    H    LEU  68           HN       LEU  68   2.923  -5.161  10.344
  488    HA   LEU  68           HA       LEU  68   3.739  -3.415  12.200
  489   1HB   LEU  68          2HB       LEU  68   1.228  -4.642  11.419
  490   2HB   LEU  68          3HB       LEU  68   1.231  -4.219  13.121
  491    HG   LEU  68           HG       LEU  68   0.289  -2.427  11.771
  492   1HD1  LEU  68          1HD1      LEU  68   2.628  -2.098  13.494
  493   2HD1  LEU  68          2HD1      LEU  68   2.376  -0.727  12.387
  494   3HD1  LEU  68          3HD1      LEU  68   1.072  -1.236  13.487
  495   1HD2  LEU  68          1HD2      LEU  68   2.354  -3.076   9.957
  496   2HD2  LEU  68          2HD2      LEU  68   1.075  -1.849   9.781
  497   3HD2  LEU  68          3HD2      LEU  68   2.647  -1.402  10.488
  498    H    GLY  69           HN       GLY  69   2.495  -6.746  12.958
  499   1HA   GLY  69          1HA       GLY  69   3.134  -6.554  15.721
  500   2HA   GLY  69          2HA       GLY  69   2.707  -7.996  14.822
  501    H    ALA  70           HN       ALA  70   5.447  -5.639  15.204
  502    HA   ALA  70           HA       ALA  70   7.250  -7.953  15.170
  503   1HB   ALA  70          1HB       ALA  70   7.798  -7.186  13.081
  504   2HB   ALA  70          2HB       ALA  70   7.210  -5.539  13.413
  505   3HB   ALA  70          3HB       ALA  70   8.799  -6.056  14.024
  506    H    GLU  71           HN       GLU  71   7.816  -4.394  15.408
  507    HA   GLU  71           HA       GLU  71   8.836  -3.212  16.923
  508   1HB   GLU  71          2HB       GLU  71   6.697  -3.388  18.077
  509   2HB   GLU  71          3HB       GLU  71   7.135  -4.938  18.770
  510   1HG   GLU  71          2HG       GLU  71   7.773  -3.686  20.579
  511   2HG   GLU  71          3HG       GLU  71   9.240  -3.425  19.656
  512    H    THR  72           HN       THR  72   8.754  -5.657  19.462
  513    HA   THR  72           HA       THR  72  11.594  -5.651  19.641
  514    HB   THR  72           HB       THR  72   9.897  -5.826  21.548
  515    HG1  THR  72           1HG      THR  72  12.098  -7.567  20.893
  516   1HG2  THR  72          1HG2      THR  72   8.308  -7.489  20.915
  517   2HG2  THR  72          2HG2      THR  72   9.564  -8.555  20.242
  518   3HG2  THR  72          3HG2      THR  72   9.399  -8.377  22.005
  519    H    THR  73           HN       THR  73   9.556  -7.160  17.451
  520    HA   THR  73           HA       THR  73  10.596  -9.760  17.364
  521    HB   THR  73           HB       THR  73   9.268  -7.884  15.356
  522    HG1  THR  73           1HG      THR  73   8.526 -10.419  16.619
  523   1HG2  THR  73          1HG2      THR  73   8.912  -9.848  13.914
  524   2HG2  THR  73          2HG2      THR  73  10.664  -9.617  14.126
  525   3HG2  THR  73          3HG2      THR  73   9.815 -10.882  15.047
  526    H    ARG  74           HN       ARG  74  11.555  -6.803  15.496
  527    HA   ARG  74           HA       ARG  74  13.578  -8.041  14.130
  528   1HB   ARG  74          2HB       ARG  74  14.403  -5.776  13.661
  529   2HB   ARG  74          3HB       ARG  74  12.651  -5.750  13.648
  530   1HG   ARG  74          2HG       ARG  74  13.065  -5.194  16.284
  531   2HG   ARG  74          3HG       ARG  74  14.557  -4.547  15.630
  532   1HD   ARG  74          2HD       ARG  74  12.089  -3.810  14.112
  533   2HD   ARG  74          3HD       ARG  74  12.188  -3.150  15.732
  534    HE   ARG  74           HE       ARG  74  14.657  -2.844  14.163
  535   1HH1  ARG  74          1HH1      ARG  74  14.214   0.604  13.861
  536   2HH1  ARG  74          2HH1      ARG  74  15.314  -0.717  13.651
  537   1HH2  ARG  74          1HH2      ARG  74  12.071   0.212  14.663
  538   2HH2  ARG  74          2HH2      ARG  74  11.573  -1.400  15.051
  539    H    SER  75           HN       SER  75  13.335  -7.106  17.489
  540    HA   SER  75           HA       SER  75  16.221  -7.408  17.762
  541   1HB   SER  75          2HB       SER  75  14.267  -5.598  18.987
  542   2HB   SER  75          3HB       SER  75  15.177  -6.460  20.211
  543    HG   SER  75           HG       SER  75  16.706  -5.439  18.060
  544    H    MET  76           HN       MET  76  13.791  -9.408  17.606
  545    HA   MET  76           HA       MET  76  13.312 -11.358  18.442
  546   1HB   MET  76          2HB       MET  76  16.021 -11.129  18.906
  547   2HB   MET  76          3HB       MET  76  15.460 -11.333  20.553
  548   1HG   MET  76          2HG       MET  76  14.077 -13.252  18.877
  549   2HG   MET  76          3HG       MET  76  15.792 -13.356  18.535
  550   1HE   MET  76          1HE       MET  76  16.929 -15.644  21.049
  551   2HE   MET  76          2HE       MET  76  16.860 -15.026  19.382
  552   3HE   MET  76          3HE       MET  76  17.687 -14.085  20.646
  553    H    GLY  77           HN       GLY  77  14.725  -9.729  21.377
  554   1HA   GLY  77          1HA       GLY  77  12.071  -9.443  22.529
  555   2HA   GLY  77          2HA       GLY  77  13.119 -10.601  23.321
  556    H    LEU  78           HN       LEU  78  15.668  -9.348  22.963
  557    HA   LEU  78           HA       LEU  78  15.263  -6.895  24.531
  558   1HB   LEU  78          2HB       LEU  78  16.188  -8.223  26.104
  559   2HB   LEU  78          3HB       LEU  78  16.983  -9.264  24.940
  560    HG   LEU  78           HG       LEU  78  18.418  -7.795  26.505
  561   1HD1  LEU  78          1HD1      LEU  78  18.991  -7.750  23.529
  562   2HD1  LEU  78          2HD1      LEU  78  20.176  -7.622  24.851
  563   3HD1  LEU  78          3HD1      LEU  78  19.270  -9.135  24.612
  564   1HD2  LEU  78          1HD2      LEU  78  18.559  -5.628  24.592
  565   2HD2  LEU  78          2HD2      LEU  78  16.930  -5.751  25.299
  566   3HD2  LEU  78          3HD2      LEU  78  18.350  -5.580  26.359
  567    H    ALA  79           HN       ALA  79  17.131  -8.615  21.995
  568    HA   ALA  79           HA       ALA  79  17.494  -6.281  20.505
  569   1HB   ALA  79          1HB       ALA  79  20.029  -7.202  21.907
  570   2HB   ALA  79          2HB       ALA  79  19.821  -5.792  20.840
  571   3HB   ALA  79          3HB       ALA  79  19.062  -5.810  22.450
  572    H    TYR  80           HN       TYR  80  18.599  -9.554  21.461
  573    HA   TYR  80           HA       TYR  80  20.034 -10.452  19.431
  574   1HB   TYR  80          2HB       TYR  80  17.418 -11.731  20.440
  575   2HB   TYR  80          3HB       TYR  80  18.806 -12.610  19.829
  576    HD1  TYR  80           HD1      TYR  80  21.063 -11.317  21.217
  577    HD2  TYR  80           HD2      TYR  80  17.178 -12.356  22.675
  578    HE1  TYR  80           HE1      TYR  80  21.988 -11.488  23.579
  579    HE2  TYR  80           HE2      TYR  80  18.116 -12.524  25.032
  580    HH   TYR  80           HH       TYR  80  19.849 -12.324  26.294
  Start of MODEL    8
    1    H    SER   1           HN       SER   1  -5.254  -1.000   9.767
    2    HA   SER   1           HA       SER   1  -6.016  -2.617  11.412
    3   1HB   SER   1          2HB       SER   1  -5.685  -3.252   8.498
    4   2HB   SER   1          3HB       SER   1  -6.225  -4.562   9.530
    5    HG   SER   1           HG       SER   1  -7.504  -2.016   9.788
    6    H    HIS   2           HN       HIS   2  -3.613  -4.191   9.168
    7    HA   HIS   2           HA       HIS   2  -1.852  -4.972  11.146
    8   1HB   HIS   2          2HB       HIS   2  -2.616  -7.547  10.853
    9   2HB   HIS   2          3HB       HIS   2  -3.047  -6.538  12.220
   10    HD1  HIS   2           HD1      HIS   2  -5.363  -7.386  12.758
   11    HD2  HIS   2           HD2      HIS   2  -4.887  -6.460   8.695
   12    HE1  HIS   2           HE1      HIS   2  -7.677  -7.591  11.701
   13    H    SER   3           HN       SER   3   0.018  -5.719  10.166
   14    HA   SER   3           HA       SER   3   1.404  -6.185   8.564
   15   1HB   SER   3          2HB       SER   3   0.164  -8.351   8.529
   16   2HB   SER   3          3HB       SER   3  -0.926  -7.711   7.315
   17    HG   SER   3           HG       SER   3   1.855  -8.386   7.073
   18    H    VAL   4           HN       VAL   4   1.913  -5.861   6.124
   19    HA   VAL   4           HA       VAL   4   0.010  -4.198   4.728
   20    HB   VAL   4           HB       VAL   4   2.643  -3.164   5.782
   21   1HG1  VAL   4          1HG1      VAL   4   0.874  -1.959   3.627
   22   2HG1  VAL   4          2HG1      VAL   4   2.252  -1.145   4.406
   23   3HG1  VAL   4          3HG1      VAL   4   2.522  -2.597   3.414
   24   1HG2  VAL   4          1HG2      VAL   4   1.264  -1.336   6.673
   25   2HG2  VAL   4          2HG2      VAL   4  -0.194  -2.099   5.993
   26   3HG2  VAL   4          3HG2      VAL   4   0.718  -2.916   7.286
   27    H    LYS   5           HN       LYS   5   3.585  -4.877   4.719
   28    HA   LYS   5           HA       LYS   5   4.895  -5.444   2.998
   29   1HB   LYS   5          2HB       LYS   5   3.706  -7.573   4.004
   30   2HB   LYS   5          3HB       LYS   5   2.966  -7.672   2.419
   31   1HG   LYS   5          2HG       LYS   5   5.680  -7.141   1.863
   32   2HG   LYS   5          3HG       LYS   5   5.740  -8.248   3.219
   33   1HD   LYS   5          2HD       LYS   5   3.714  -9.162   1.347
   34   2HD   LYS   5          3HD       LYS   5   5.201  -8.862   0.471
   35   1HE   LYS   5          2HE       LYS   5   6.334 -10.185   2.478
   36   2HE   LYS   5          3HE       LYS   5   4.712 -10.787   2.761
   37   1HZ   LYS   5          1HZ       LYS   5   6.480 -11.710   0.916
   38   2HZ   LYS   5          2HZ       LYS   5   4.900 -12.108   1.024
   39   3HZ   LYS   5          3HZ       LYS   5   5.373 -10.907   0.025
   40    H    ILE   6           HN       ILE   6   4.323  -6.769   0.511
   41    HA   ILE   6           HA       ILE   6   2.986  -4.545  -0.850
   42    HB   ILE   6           HB       ILE   6   4.833  -6.536  -2.131
   43   1HG1  ILE   6          2HG1      ILE   6   6.036  -5.642  -0.197
   44   2HG1  ILE   6          3HG1      ILE   6   6.716  -5.057  -1.703
   45   1HG2  ILE   6          1HG2      ILE   6   5.271  -4.444  -3.559
   46   2HG2  ILE   6          2HG2      ILE   6   3.716  -5.287  -3.758
   47   3HG2  ILE   6          3HG2      ILE   6   3.798  -3.786  -2.804
   48   1HD1  ILE   6          1HD1      ILE   6   5.634  -2.895  -1.455
   49   2HD1  ILE   6          2HD1      ILE   6   4.673  -3.481  -0.075
   50   3HD1  ILE   6          3HD1      ILE   6   6.435  -3.279   0.089
   51    H    TYR   7           HN       TYR   7   0.932  -4.933  -1.460
   52    HA   TYR   7           HA       TYR   7   0.342  -7.536  -2.626
   53   1HB   TYR   7          2HB       TYR   7  -1.183  -6.110  -0.357
   54   2HB   TYR   7          3HB       TYR   7  -1.742  -7.572  -1.144
   55    HD1  TYR   7           HD1      TYR   7  -0.761  -6.720   1.860
   56    HD2  TYR   7           HD2      TYR   7   0.739  -9.185  -1.298
   57    HE1  TYR   7           HE1      TYR   7   0.513  -8.125   3.553
   58    HE2  TYR   7           HE2      TYR   7   2.009 -10.582   0.406
   59    HH   TYR   7           HH       TYR   7   2.919  -9.803   3.053
   60    H    ASP   8           HN       ASP   8  -1.636  -7.525  -3.932
   61    HA   ASP   8           HA       ASP   8  -1.993  -4.936  -5.094
   62   1HB   ASP   8          2HB       ASP   8  -3.568  -6.314  -6.638
   63   2HB   ASP   8          3HB       ASP   8  -1.852  -6.658  -6.710
   64    H    THR   9           HN       THR   9  -2.967  -5.024  -2.422
   65    HA   THR   9           HA       THR   9  -5.855  -5.434  -2.651
   66    HB   THR   9           HB       THR   9  -4.639  -6.480  -0.745
   67    HG1  THR   9           1HG      THR   9  -6.795  -5.628  -0.389
   68   1HG2  THR   9          1HG2      THR   9  -3.287  -3.918  -0.666
   69   2HG2  THR   9          2HG2      THR   9  -4.192  -4.125   0.853
   70   3HG2  THR   9          3HG2      THR   9  -2.993  -5.345   0.358
   71    H    CYS  10           HN       CYS  10  -6.638  -3.723  -3.841
   72    HA   CYS  10           HA       CYS  10  -6.687  -1.243  -2.396
   73   1HB   CYS  10          2HB       CYS  10  -4.601  -1.169  -3.882
   74   2HB   CYS  10          3HB       CYS  10  -5.691  -1.148  -5.253
   75    H    ILE  11           HN       ILE  11  -8.696  -0.259  -2.739
   76    HA   ILE  11           HA       ILE  11 -10.322  -1.439  -4.883
   77    HB   ILE  11           HB       ILE  11 -12.263  -1.067  -3.438
   78   1HG1  ILE  11          2HG1      ILE  11 -11.542  -0.775  -0.896
   79   2HG1  ILE  11          3HG1      ILE  11 -10.194   0.090  -1.608
   80   1HG2  ILE  11          1HG2      ILE  11 -10.248  -2.715  -1.913
   81   2HG2  ILE  11          2HG2      ILE  11 -11.992  -2.995  -2.134
   82   3HG2  ILE  11          3HG2      ILE  11 -10.875  -3.218  -3.502
   83   1HD1  ILE  11          1HD1      ILE  11 -12.828   0.788  -2.793
   84   2HD1  ILE  11          2HD1      ILE  11 -12.655   1.207  -1.072
   85   3HD1  ILE  11          3HD1      ILE  11 -11.501   1.849  -2.265
   86    H    GLY  12           HN       GLY  12  -9.274   1.471  -3.104
   87   1HA   GLY  12          1HA       GLY  12  -9.021   3.361  -4.754
   88   2HA   GLY  12          2HA       GLY  12 -10.728   3.129  -5.072
   89    H    CYS  13           HN       CYS  13  -8.962   2.899  -1.919
   90    HA   CYS  13           HA       CYS  13 -10.816   4.908  -0.903
   91   1HB   CYS  13          2HB       CYS  13 -10.812   3.828   1.081
   92   2HB   CYS  13          3HB       CYS  13 -10.265   2.466   0.123
   93    H    THR  14           HN       THR  14  -9.510   6.079   1.155
   94    HA   THR  14           HA       THR  14  -6.992   7.068  -0.016
   95    HB   THR  14           HB       THR  14  -7.666   9.303   0.770
   96    HG1  THR  14           1HG      THR  14 -10.088   7.881   1.611
   97   1HG2  THR  14          1HG2      THR  14  -8.872   9.447  -1.175
   98   2HG2  THR  14          2HG2      THR  14  -9.393   7.750  -1.048
   99   3HG2  THR  14          3HG2      THR  14 -10.298   9.025  -0.199
  100    H    GLN  15           HN       GLN  15  -6.082   5.224   1.269
  101    HA   GLN  15           HA       GLN  15  -5.180   6.307   3.724
  102   1HB   GLN  15          2HB       GLN  15  -6.220   4.969   5.279
  103   2HB   GLN  15          3HB       GLN  15  -7.500   4.987   4.082
  104   1HG   GLN  15          2HG       GLN  15  -6.533   2.867   3.083
  105   2HG   GLN  15          3HG       GLN  15  -5.357   2.832   4.382
  106   1HE2  GLN  15          1HE2      GLN  15  -6.421   0.704   4.658
  107   2HE2  GLN  15          2HE2      GLN  15  -7.794   0.589   5.707
  108    H    CYS  16           HN       CYS  16  -3.254   5.218   4.486
  109    HA   CYS  16           HA       CYS  16  -1.630   3.666   4.440
  110   1HB   CYS  16          2HB       CYS  16  -1.787   1.680   3.362
  111   2HB   CYS  16          3HB       CYS  16  -3.458   2.165   3.152
  112    H    VAL  17           HN       VAL  17  -2.761   5.102   1.318
  113    HA   VAL  17           HA       VAL  17  -0.044   5.496   0.434
  114    HB   VAL  17           HB       VAL  17  -2.637   6.474  -0.770
  115   1HG1  VAL  17          1HG1      VAL  17   0.199   6.544  -1.577
  116   2HG1  VAL  17          2HG1      VAL  17  -0.909   5.935  -2.831
  117   3HG1  VAL  17          3HG1      VAL  17  -1.175   7.542  -2.112
  118   1HG2  VAL  17          1HG2      VAL  17  -1.328   3.776  -0.819
  119   2HG2  VAL  17          2HG2      VAL  17  -3.053   4.208  -0.753
  120   3HG2  VAL  17          3HG2      VAL  17  -2.154   4.362  -2.283
  121    H    ARG  18           HN       ARG  18  -2.045   6.969   2.688
  122    HA   ARG  18           HA       ARG  18  -0.720   9.512   2.186
  123   1HB   ARG  18          2HB       ARG  18  -3.573   8.892   2.656
  124   2HB   ARG  18          3HB       ARG  18  -2.971  10.097   3.777
  125   1HG   ARG  18          2HG       ARG  18  -3.706  11.372   1.911
  126   2HG   ARG  18          3HG       ARG  18  -1.967  11.303   1.712
  127   1HD   ARG  18          2HD       ARG  18  -3.101   8.969   0.435
  128   2HD   ARG  18          3HD       ARG  18  -4.004  10.371  -0.104
  129    HE   ARG  18           HE       ARG  18  -1.075  10.712  -0.133
  130   1HH1  ARG  18          1HH1      ARG  18  -0.988  10.774  -3.621
  131   2HH1  ARG  18          2HH1      ARG  18  -0.092  11.058  -2.167
  132   1HH2  ARG  18          1HH2      ARG  18  -3.189  10.046  -3.505
  133   2HH2  ARG  18          2HH2      ARG  18  -3.934   9.784  -1.963
  134    H    ALA  19           HN       ALA  19  -2.275   7.349   4.654
  135    HA   ALA  19           HA       ALA  19  -1.604   8.510   6.966
  136   1HB   ALA  19          1HB       ALA  19  -1.482   5.601   6.110
  137   2HB   ALA  19          2HB       ALA  19  -1.253   6.105   7.802
  138   3HB   ALA  19          3HB       ALA  19  -2.791   6.446   6.971
  139    H    CYS  20           HN       CYS  20   0.616   6.544   4.884
  140    HA   CYS  20           HA       CYS  20   2.801   6.403   6.405
  141   1HB   CYS  20          2HB       CYS  20   2.703   5.492   4.149
  142   2HB   CYS  20          3HB       CYS  20   2.696   7.100   3.453
  143    HA   PRO  21           HA       PRO  21   3.705  10.614   7.243
  144   1HB   PRO  21          2HB       PRO  21   5.908  10.226   8.814
  145   2HB   PRO  21          3HB       PRO  21   4.268  10.144   9.427
  146   1HG   PRO  21          2HG       PRO  21   6.150   7.935   8.863
  147   2HG   PRO  21          3HG       PRO  21   4.703   7.919   9.851
  148   1HD   PRO  21          2HD       PRO  21   4.984   6.849   7.206
  149   2HD   PRO  21          3HD       PRO  21   3.510   6.938   8.148
  150    H    LEU  22           HN       LEU  22   6.601   8.660   6.668
  151    HA   LEU  22           HA       LEU  22   8.154  10.659   5.659
  152   1HB   LEU  22          2HB       LEU  22   8.012   7.704   5.234
  153   2HB   LEU  22          3HB       LEU  22   9.098   8.652   4.236
  154    HG   LEU  22           HG       LEU  22   9.852   9.606   6.621
  155   1HD1  LEU  22          1HD1      LEU  22   8.319   7.157   7.229
  156   2HD1  LEU  22          2HD1      LEU  22   9.931   7.256   7.976
  157   3HD1  LEU  22          3HD1      LEU  22   8.738   8.545   8.260
  158   1HD2  LEU  22          1HD2      LEU  22  11.762   8.708   5.944
  159   2HD2  LEU  22          2HD2      LEU  22  11.175   7.071   6.323
  160   3HD2  LEU  22          3HD2      LEU  22  10.861   7.780   4.721
  161    H    ASP  23           HN       ASP  23   7.294   8.281   3.182
  162    HA   ASP  23           HA       ASP  23   5.425   9.693   1.796
  163   1HB   ASP  23          2HB       ASP  23   7.685  11.214   1.736
  164   2HB   ASP  23          3HB       ASP  23   8.025  10.172   0.369
  165    H    VAL  24           HN       VAL  24   5.590   7.062   2.164
  166    HA   VAL  24           HA       VAL  24   6.895   5.953  -0.223
  167    HB   VAL  24           HB       VAL  24   7.522   5.270   2.218
  168   1HG1  VAL  24          1HG1      VAL  24   5.578   3.081   2.049
  169   2HG1  VAL  24          2HG1      VAL  24   6.079   4.066   3.445
  170   3HG1  VAL  24          3HG1      VAL  24   4.824   4.668   2.335
  171   1HG2  VAL  24          1HG2      VAL  24   7.297   2.721   1.047
  172   2HG2  VAL  24          2HG2      VAL  24   7.437   3.863  -0.311
  173   3HG2  VAL  24          3HG2      VAL  24   8.682   3.836   0.961
  174    H    LEU  25           HN       LEU  25   5.523   3.526  -0.381
  175    HA   LEU  25           HA       LEU  25   3.696   2.628  -1.230
  176   1HB   LEU  25          2HB       LEU  25   2.359   4.596   0.626
  177   2HB   LEU  25          3HB       LEU  25   1.479   3.393  -0.297
  178    HG   LEU  25           HG       LEU  25   3.643   2.132   1.153
  179   1HD1  LEU  25          1HD1      LEU  25   1.712   3.106   3.157
  180   2HD1  LEU  25          2HD1      LEU  25   3.469   2.843   3.274
  181   3HD1  LEU  25          3HD1      LEU  25   2.839   4.335   2.537
  182   1HD2  LEU  25          1HD2      LEU  25   1.876   0.792   0.395
  183   2HD2  LEU  25          2HD2      LEU  25   1.637   0.897   2.157
  184   3HD2  LEU  25          3HD2      LEU  25   0.638   1.883   1.061
  185    H    GLU  26           HN       GLU  26   4.275   3.305  -3.364
  186    HA   GLU  26           HA       GLU  26   2.718   5.609  -4.248
  187   1HB   GLU  26          2HB       GLU  26   5.243   4.475  -5.531
  188   2HB   GLU  26          3HB       GLU  26   4.384   5.917  -6.036
  189   1HG   GLU  26          2HG       GLU  26   5.041   6.005  -3.169
  190   2HG   GLU  26          3HG       GLU  26   6.477   5.783  -4.148
  191    H    MET  27           HN       MET  27   2.957   5.114  -7.063
  192    HA   MET  27           HA       MET  27   1.005   3.041  -7.263
  193   1HB   MET  27          2HB       MET  27   1.063   3.795  -9.732
  194   2HB   MET  27          3HB       MET  27   0.646   5.050  -8.581
  195   1HG   MET  27          2HG       MET  27   2.513   6.269  -9.077
  196   2HG   MET  27          3HG       MET  27   3.560   4.869  -8.956
  197   1HE   MET  27          1HE       MET  27   3.787   6.870 -12.465
  198   2HE   MET  27          2HE       MET  27   2.334   7.464 -11.626
  199   3HE   MET  27          3HE       MET  27   3.846   7.218 -10.720
  200    H    VAL  28           HN       VAL  28   1.266   0.984  -8.114
  201    HA   VAL  28           HA       VAL  28   3.916   0.388  -9.233
  202    HB   VAL  28           HB       VAL  28   4.153  -1.479  -7.940
  203   1HG1  VAL  28          1HG1      VAL  28   4.239  -0.649  -5.846
  204   2HG1  VAL  28          2HG1      VAL  28   3.616   0.842  -6.595
  205   3HG1  VAL  28          3HG1      VAL  28   2.495  -0.293  -5.805
  206   1HG2  VAL  28          1HG2      VAL  28   1.224  -1.634  -8.144
  207   2HG2  VAL  28          2HG2      VAL  28   2.442  -2.931  -8.063
  208   3HG2  VAL  28          3HG2      VAL  28   1.862  -2.160  -6.567
  209    HA   PRO  29           HA       PRO  29   1.785  -1.645 -12.403
  210   1HB   PRO  29          2HB       PRO  29   3.141  -3.976 -12.844
  211   2HB   PRO  29          3HB       PRO  29   3.707  -2.418 -13.409
  212   1HG   PRO  29          2HG       PRO  29   4.694  -4.038 -11.142
  213   2HG   PRO  29          3HG       PRO  29   5.490  -2.718 -11.977
  214   1HD   PRO  29          2HD       PRO  29   4.218  -2.605  -9.408
  215   2HD   PRO  29          3HD       PRO  29   4.912  -1.262 -10.295
  216    H    TRP  30           HN       TRP  30  -0.288  -2.211 -12.293
  217    HA   TRP  30           HA       TRP  30  -0.764  -4.826 -11.083
  218   1HB   TRP  30          2HB       TRP  30  -1.165  -3.244  -9.294
  219   2HB   TRP  30          3HB       TRP  30  -2.211  -2.284 -10.322
  220    HD1  TRP  30           HD1      TRP  30  -4.720  -2.749  -9.806
  221    HE1  TRP  30           HE1      TRP  30  -6.243  -4.736  -8.970
  222    HE3  TRP  30           HE3      TRP  30  -0.969  -6.162  -9.428
  223    HZ2  TRP  30           HZ2      TRP  30  -5.720  -7.450  -8.261
  224    HZ3  TRP  30           HZ3      TRP  30  -1.561  -8.457  -8.657
  225    HH2  TRP  30           HH2      TRP  30  -3.841  -9.123  -8.083
  226    H    ASP  31           HN       ASP  31  -3.247  -5.374 -11.592
  227    HA   ASP  31           HA       ASP  31  -3.951  -4.195 -14.144
  228   1HB   ASP  31          2HB       ASP  31  -2.647  -6.541 -14.180
  229   2HB   ASP  31          3HB       ASP  31  -4.226  -7.182 -13.771
  230    H    GLY  32           HN       GLY  32  -5.370  -3.294 -12.144
  231   1HA   GLY  32          1HA       GLY  32  -7.898  -4.719 -12.243
  232   2HA   GLY  32          2HA       GLY  32  -7.156  -4.619 -10.658
  233    H    CYS  33           HN       CYS  33  -5.826  -1.991 -11.179
  234    HA   CYS  33           HA       CYS  33  -7.988  -0.364 -10.374
  235   1HB   CYS  33          2HB       CYS  33  -5.165  -0.244 -10.259
  236   2HB   CYS  33          3HB       CYS  33  -5.662   1.164 -11.175
  237    HG   CYS  33           HG       CYS  33  -6.826   0.093  -8.261
  238    H    LYS  34           HN       LYS  34  -8.389   1.837 -11.555
  239    HA   LYS  34           HA       LYS  34  -9.312   1.281 -14.133
  240   1HB   LYS  34          2HB       LYS  34  -9.724   3.231 -12.215
  241   2HB   LYS  34          3HB       LYS  34  -8.923   4.120 -13.495
  242   1HG   LYS  34          2HG       LYS  34 -11.282   2.258 -14.019
  243   2HG   LYS  34          3HG       LYS  34 -11.486   3.960 -13.658
  244   1HD   LYS  34          2HD       LYS  34  -9.504   3.921 -15.668
  245   2HD   LYS  34          3HD       LYS  34 -10.637   2.680 -16.165
  246   1HE   LYS  34          2HE       LYS  34 -12.519   4.383 -15.787
  247   2HE   LYS  34          3HE       LYS  34 -11.280   5.600 -15.551
  248   1HZ   LYS  34          1HZ       LYS  34 -10.465   4.547 -17.810
  249   2HZ   LYS  34          2HZ       LYS  34 -12.062   4.247 -17.969
  250   3HZ   LYS  34          3HZ       LYS  34 -11.537   5.778 -17.755
  251    H    ALA  35           HN       ALA  35  -6.186   2.272 -12.895
  252    HA   ALA  35           HA       ALA  35  -5.328   2.781 -15.662
  253   1HB   ALA  35          1HB       ALA  35  -5.123   4.412 -13.361
  254   2HB   ALA  35          2HB       ALA  35  -3.493   3.754 -13.634
  255   3HB   ALA  35          3HB       ALA  35  -4.319   4.651 -14.930
  256    H    GLY  36           HN       GLY  36  -5.684   0.201 -14.063
  257   1HA   GLY  36          1HA       GLY  36  -4.527  -1.670 -13.549
  258   2HA   GLY  36          2HA       GLY  36  -3.616  -1.277 -14.995
  259    H    GLN  37           HN       GLN  37  -3.816   0.222 -11.683
  260    HA   GLN  37           HA       GLN  37  -1.105  -0.550 -11.201
  261   1HB   GLN  37          2HB       GLN  37  -0.346   1.805 -10.756
  262   2HB   GLN  37          3HB       GLN  37  -0.676   1.487 -12.447
  263   1HG   GLN  37          2HG       GLN  37  -2.044   3.300 -12.411
  264   2HG   GLN  37          3HG       GLN  37  -3.165   2.331 -11.476
  265   1HE2  GLN  37          1HE2      GLN  37  -3.692   2.967  -9.519
  266   2HE2  GLN  37          2HE2      GLN  37  -2.879   4.156  -8.557
  267    H    ILE  38           HN       ILE  38  -0.997  -1.151  -9.079
  268    HA   ILE  38           HA       ILE  38  -3.112  -0.153  -7.327
  269    HB   ILE  38           HB       ILE  38  -2.502  -2.660  -7.821
  270   1HG1  ILE  38          2HG1      ILE  38  -2.934  -2.652  -5.009
  271   2HG1  ILE  38          3HG1      ILE  38  -3.747  -1.241  -5.656
  272   1HG2  ILE  38          1HG2      ILE  38  -0.682  -3.547  -6.883
  273   2HG2  ILE  38          2HG2      ILE  38  -0.098  -1.873  -6.725
  274   3HG2  ILE  38          3HG2      ILE  38  -0.923  -2.660  -5.359
  275   1HD1  ILE  38          1HD1      ILE  38  -5.343  -3.014  -5.819
  276   2HD1  ILE  38          2HD1      ILE  38  -4.719  -2.803  -7.473
  277   3HD1  ILE  38          3HD1      ILE  38  -4.132  -4.147  -6.465
  278    H    ALA  39           HN       ALA  39  -2.662   0.851  -5.332
  279    HA   ALA  39           HA       ALA  39  -0.138   2.221  -5.297
  280   1HB   ALA  39          1HB       ALA  39  -1.297   3.746  -4.096
  281   2HB   ALA  39          2HB       ALA  39  -2.740   2.789  -4.509
  282   3HB   ALA  39          3HB       ALA  39  -1.902   2.514  -2.963
  283    H    SER  40           HN       SER  40   1.645   1.142  -4.595
  284    HA   SER  40           HA       SER  40   1.503   0.003  -1.976
  285   1HB   SER  40          2HB       SER  40   2.056  -1.672  -4.447
  286   2HB   SER  40          3HB       SER  40   2.723  -2.124  -2.890
  287    HG   SER  40           HG       SER  40   0.658  -2.419  -2.042
  288    H    SER  41           HN       SER  41   3.922  -0.993  -1.529
  289    HA   SER  41           HA       SER  41   5.629   1.213  -2.148
  290   1HB   SER  41          2HB       SER  41   5.769  -1.188  -0.321
  291   2HB   SER  41          3HB       SER  41   7.249  -0.330  -0.701
  292    HG   SER  41           HG       SER  41   5.992   1.679  -0.036
  293    HA   PRO  42           HA       PRO  42   7.464  -0.973  -5.479
  294   1HB   PRO  42          2HB       PRO  42   9.239   0.954  -6.258
  295   2HB   PRO  42          3HB       PRO  42   7.567   0.925  -6.779
  296   1HG   PRO  42          2HG       PRO  42   8.855   2.682  -4.781
  297   2HG   PRO  42          3HG       PRO  42   7.331   2.903  -5.616
  298   1HD   PRO  42          2HD       PRO  42   7.691   2.048  -2.904
  299   2HD   PRO  42          3HD       PRO  42   6.176   2.158  -3.775
  300    H    ARG  43           HN       ARG  43   9.733   0.858  -3.474
  301    HA   ARG  43           HA       ARG  43  11.152  -1.644  -3.156
  302   1HB   ARG  43          2HB       ARG  43  12.542   1.005  -3.800
  303   2HB   ARG  43          3HB       ARG  43  13.331  -0.542  -3.557
  304   1HG   ARG  43          2HG       ARG  43  11.326  -0.958  -5.563
  305   2HG   ARG  43          3HG       ARG  43  12.147   0.531  -5.983
  306   1HD   ARG  43          2HD       ARG  43  13.639  -0.924  -6.980
  307   2HD   ARG  43          3HD       ARG  43  14.330  -0.962  -5.371
  308    HE   ARG  43           HE       ARG  43  12.463  -2.948  -5.189
  309   1HH1  ARG  43          1HH1      ARG  43  13.858  -5.569  -7.025
  310   2HH1  ARG  43          2HH1      ARG  43  12.727  -5.139  -5.785
  311   1HH2  ARG  43          1HH2      ARG  43  15.103  -3.920  -8.081
  312   2HH2  ARG  43          2HH2      ARG  43  14.903  -2.259  -7.629
  313    H    THR  44           HN       THR  44   9.406   0.602  -1.674
  314    HA   THR  44           HA       THR  44   9.399   1.687   0.289
  315    HB   THR  44           HB       THR  44  10.952  -0.818   1.126
  316    HG1  THR  44           1HG      THR  44   8.517  -1.408   1.399
  317   1HG2  THR  44          1HG2      THR  44   8.832   0.873   2.556
  318   2HG2  THR  44          2HG2      THR  44   9.575  -0.615   3.188
  319   3HG2  THR  44          3HG2      THR  44  10.563   0.848   2.970
  320    H    GLU  45           HN       GLU  45  11.798   2.147  -1.550
  321    HA   GLU  45           HA       GLU  45  14.050   2.456   0.006
  322   1HB   GLU  45          2HB       GLU  45  14.786   4.049  -1.777
  323   2HB   GLU  45          3HB       GLU  45  14.139   2.556  -2.428
  324   1HG   GLU  45          2HG       GLU  45  12.085   3.585  -3.085
  325   2HG   GLU  45          3HG       GLU  45  12.328   4.962  -2.028
  326    H    ASP  46           HN       ASP  46  11.099   4.394  -0.270
  327    HA   ASP  46           HA       ASP  46  12.365   6.511   1.252
  328   1HB   ASP  46          2HB       ASP  46   9.925   6.263  -0.483
  329   2HB   ASP  46          3HB       ASP  46   9.815   7.394   0.851
  330    H    CYS  47           HN       CYS  47  12.199   4.325   2.842
  331    HA   CYS  47           HA       CYS  47  10.278   5.077   4.785
  332   1HB   CYS  47          2HB       CYS  47   8.619   3.836   3.755
  333   2HB   CYS  47          3HB       CYS  47   9.736   2.657   3.098
  334    H    VAL  48           HN       VAL  48  11.150   4.537   6.795
  335    HA   VAL  48           HA       VAL  48  13.359   2.598   6.747
  336    HB   VAL  48           HB       VAL  48  14.391   3.977   8.521
  337   1HG1  VAL  48          1HG1      VAL  48  14.008   5.834   6.201
  338   2HG1  VAL  48          2HG1      VAL  48  15.500   5.337   7.034
  339   3HG1  VAL  48          3HG1      VAL  48  14.700   4.221   5.900
  340   1HG2  VAL  48          1HG2      VAL  48  13.621   6.289   8.874
  341   2HG2  VAL  48          2HG2      VAL  48  12.218   5.981   7.823
  342   3HG2  VAL  48          3HG2      VAL  48  12.386   5.103   9.362
  343    H    GLY  49           HN       GLY  49  10.798   1.650   7.097
  344   1HA   GLY  49          1HA       GLY  49   9.376   0.664   8.551
  345   2HA   GLY  49          2HA       GLY  49  10.854   0.173   9.355
  346    H    CYS  50           HN       CYS  50   8.211   2.572   9.286
  347    HA   CYS  50           HA       CYS  50   8.998   3.324  12.006
  348   1HB   CYS  50          2HB       CYS  50   8.722   5.543  11.620
  349   2HB   CYS  50          3HB       CYS  50   9.154   5.081   9.985
  350    H    LYS  51           HN       LYS  51   7.220   3.523  13.506
  351    HA   LYS  51           HA       LYS  51   5.071   1.799  12.989
  352   1HB   LYS  51          2HB       LYS  51   6.124   2.343  15.221
  353   2HB   LYS  51          3HB       LYS  51   5.281   3.879  15.181
  354   1HG   LYS  51          2HG       LYS  51   3.168   2.278  14.643
  355   2HG   LYS  51          3HG       LYS  51   4.159   1.101  15.485
  356   1HD   LYS  51          2HD       LYS  51   4.038   3.743  16.838
  357   2HD   LYS  51          3HD       LYS  51   2.482   2.947  16.709
  358   1HE   LYS  51          2HE       LYS  51   4.265   0.886  17.479
  359   2HE   LYS  51          3HE       LYS  51   4.772   2.275  18.420
  360   1HZ   LYS  51          1HZ       LYS  51   3.109   1.499  19.703
  361   2HZ   LYS  51          2HZ       LYS  51   2.204   2.475  18.757
  362   3HZ   LYS  51          3HZ       LYS  51   2.246   0.868  18.468
  363    H    ARG  52           HN       ARG  52   3.831   2.331  11.201
  364    HA   ARG  52           HA       ARG  52   1.874   4.244  11.617
  365   1HB   ARG  52          2HB       ARG  52   4.275   5.313  10.471
  366   2HB   ARG  52          3HB       ARG  52   3.112   5.226   9.164
  367   1HG   ARG  52          2HG       ARG  52   2.293   7.193   9.970
  368   2HG   ARG  52          3HG       ARG  52   1.551   6.229  11.232
  369   1HD   ARG  52          2HD       ARG  52   4.317   6.680  11.959
  370   2HD   ARG  52          3HD       ARG  52   3.616   8.220  11.502
  371    HE   ARG  52           HE       ARG  52   2.835   6.549  13.799
  372   1HH1  ARG  52          1HH1      ARG  52   0.522   8.917  14.904
  373   2HH1  ARG  52          2HH1      ARG  52   1.378   7.464  15.303
  374   1HH2  ARG  52          1HH2      ARG  52   0.854   9.931  12.843
  375   2HH2  ARG  52          2HH2      ARG  52   1.958   9.236  11.704
  376    H    CYS  53           HN       CYS  53   1.221   4.803   8.836
  377    HA   CYS  53           HA       CYS  53  -0.027   3.821   7.295
  378   1HB   CYS  53          2HB       CYS  53   1.181   2.367   5.751
  379   2HB   CYS  53          3HB       CYS  53   2.195   3.700   6.268
  380    H    GLU  54           HN       GLU  54  -0.764   2.928   9.846
  381    HA   GLU  54           HA       GLU  54  -0.785   0.067   9.811
  382   1HB   GLU  54          2HB       GLU  54  -1.922   0.263  11.971
  383   2HB   GLU  54          3HB       GLU  54  -0.541   1.340  11.936
  384   1HG   GLU  54          2HG       GLU  54  -2.953   2.667  10.903
  385   2HG   GLU  54          3HG       GLU  54  -3.215   2.043  12.519
  386    H    THR  55           HN       THR  55  -1.954   0.904   7.464
  387    HA   THR  55           HA       THR  55  -4.793   0.317   7.965
  388    HB   THR  55           HB       THR  55  -5.385   1.973   6.265
  389    HG1  THR  55           1HG      THR  55  -3.442   3.133   5.317
  390   1HG2  THR  55          1HG2      THR  55  -3.191   3.558   7.546
  391   2HG2  THR  55          2HG2      THR  55  -4.934   3.908   7.458
  392   3HG2  THR  55          3HG2      THR  55  -4.317   2.765   8.674
  393    H    ALA  56           HN       ALA  56  -2.795   0.761   4.988
  394    HA   ALA  56           HA       ALA  56  -2.207  -0.691   3.410
  395   1HB   ALA  56          1HB       ALA  56  -3.258  -3.162   4.626
  396   2HB   ALA  56          2HB       ALA  56  -1.613  -2.772   4.071
  397   3HB   ALA  56          3HB       ALA  56  -2.150  -2.261   5.688
  398    H    CYS  57           HN       CYS  57  -5.280  -1.848   4.980
  399    HA   CYS  57           HA       CYS  57  -6.916  -0.921   2.960
  400   1HB   CYS  57          2HB       CYS  57  -5.499  -3.194   2.071
  401   2HB   CYS  57          3HB       CYS  57  -7.107  -3.771   2.457
  402    HA   PRO  58           HA       PRO  58  -9.685  -2.285   6.033
  403   1HB   PRO  58          2HB       PRO  58 -12.071  -2.410   4.706
  404   2HB   PRO  58          3HB       PRO  58 -11.367  -0.908   5.272
  405   1HG   PRO  58          2HG       PRO  58 -11.504  -1.968   2.517
  406   2HG   PRO  58          3HG       PRO  58 -11.203  -0.326   3.047
  407   1HD   PRO  58          2HD       PRO  58  -9.260  -2.200   2.080
  408   2HD   PRO  58          3HD       PRO  58  -8.944  -0.600   2.719
  409    H    THR  59           HN       THR  59 -10.584  -4.049   3.099
  410    HA   THR  59           HA       THR  59 -10.089  -6.521   4.558
  411    HB   THR  59           HB       THR  59 -12.363  -7.362   4.026
  412    HG1  THR  59           1HG      THR  59 -12.454  -5.859   2.095
  413   1HG2  THR  59          1HG2      THR  59 -11.934  -5.707   6.089
  414   2HG2  THR  59          2HG2      THR  59 -12.921  -4.591   5.115
  415   3HG2  THR  59          3HG2      THR  59 -13.595  -6.155   5.634
  416    H    ASP  60           HN       ASP  60 -11.465  -8.095   2.476
  417    HA   ASP  60           HA       ASP  60 -11.243  -8.731   0.372
  418   1HB   ASP  60          2HB       ASP  60 -10.585  -6.182  -0.066
  419   2HB   ASP  60          3HB       ASP  60  -8.958  -6.823  -0.181
  420    H    PHE  61           HN       PHE  61  -8.183  -7.585   1.965
  421    HA   PHE  61           HA       PHE  61  -7.029 -10.224   1.391
  422   1HB   PHE  61          2HB       PHE  61  -5.965  -7.361   1.437
  423   2HB   PHE  61          3HB       PHE  61  -4.852  -8.678   1.752
  424    HD1  PHE  61           1HD      PHE  61  -7.627  -8.183  -0.709
  425    HD2  PHE  61           2HD      PHE  61  -3.530  -9.095  -0.080
  426    HE1  PHE  61           1HE      PHE  61  -7.322  -8.516  -3.178
  427    HE2  PHE  61           2HE      PHE  61  -3.226  -9.428  -2.550
  428    HZ   PHE  61           HZ       PHE  61  -5.125  -9.135  -4.069
  429    H    LEU  62           HN       LEU  62  -5.383  -7.800   3.355
  430    HA   LEU  62           HA       LEU  62  -4.501  -8.186   5.405
  431   1HB   LEU  62          2HB       LEU  62  -7.441  -7.682   5.673
  432   2HB   LEU  62          3HB       LEU  62  -6.465  -7.918   7.109
  433    HG   LEU  62           HG       LEU  62  -6.223  -5.730   5.039
  434   1HD1  LEU  62          1HD1      LEU  62  -6.794  -5.719   8.014
  435   2HD1  LEU  62          2HD1      LEU  62  -6.529  -4.265   7.021
  436   3HD1  LEU  62          3HD1      LEU  62  -7.923  -5.325   6.695
  437   1HD2  LEU  62          1HD2      LEU  62  -4.370  -5.067   6.927
  438   2HD2  LEU  62          2HD2      LEU  62  -4.154  -6.831   6.824
  439   3HD2  LEU  62          3HD2      LEU  62  -4.005  -5.828   5.360
  440    H    SER  63           HN       SER  63  -3.941 -10.502   4.657
  441    HA   SER  63           HA       SER  63  -4.371 -12.186   6.764
  442   1HB   SER  63          2HB       SER  63  -6.709 -12.159   5.387
  443   2HB   SER  63          3HB       SER  63  -5.876 -13.398   4.469
  444    HG   SER  63           HG       SER  63  -5.545 -13.788   7.193
  445    H    ILE  64           HN       ILE  64  -2.049 -11.635   5.761
  446    HA   ILE  64           HA       ILE  64  -1.337 -13.981   4.177
  447    HB   ILE  64           HB       ILE  64  -0.564 -11.136   3.525
  448   1HG1  ILE  64          2HG1      ILE  64  -2.820 -12.000   2.759
  449   2HG1  ILE  64          3HG1      ILE  64  -1.752 -11.395   1.509
  450   1HG2  ILE  64          1HG2      ILE  64   0.775 -12.132   1.691
  451   2HG2  ILE  64          2HG2      ILE  64   1.401 -12.519   3.312
  452   3HG2  ILE  64          3HG2      ILE  64   0.489 -13.742   2.394
  453   1HD1  ILE  64          1HD1      ILE  64  -1.738 -14.344   2.221
  454   2HD1  ILE  64          2HD1      ILE  64  -2.969 -13.680   1.118
  455   3HD1  ILE  64          3HD1      ILE  64  -1.242 -13.560   0.701
  456    H    ARG  65           HN       ARG  65   0.817 -11.245   4.896
  457    HA   ARG  65           HA       ARG  65   2.168 -13.018   6.749
  458   1HB   ARG  65          2HB       ARG  65   3.033 -10.981   4.771
  459   2HB   ARG  65          3HB       ARG  65   3.863 -10.832   6.308
  460   1HG   ARG  65          2HG       ARG  65   5.105 -12.354   4.813
  461   2HG   ARG  65          3HG       ARG  65   4.519 -13.228   6.215
  462   1HD   ARG  65          2HD       ARG  65   2.461 -13.874   4.774
  463   2HD   ARG  65          3HD       ARG  65   3.353 -13.256   3.398
  464    HE   ARG  65           HE       ARG  65   5.177 -14.960   4.566
  465   1HH1  ARG  65          1HH1      ARG  65   4.033 -18.094   3.542
  466   2HH1  ARG  65          2HH1      ARG  65   5.394 -17.190   4.117
  467   1HH2  ARG  65          1HH2      ARG  65   1.989 -17.040   3.229
  468   2HH2  ARG  65          2HH2      ARG  65   1.825 -15.349   3.570
  469    H    VAL  66           HN       VAL  66   3.428 -11.711   8.576
  470    HA   VAL  66           HA       VAL  66   1.538  -9.734   9.649
  471    HB   VAL  66           HB       VAL  66   2.326 -10.465  11.858
  472   1HG1  VAL  66          1HG1      VAL  66   0.817 -12.108   9.958
  473   2HG1  VAL  66          2HG1      VAL  66   1.502 -13.049  11.305
  474   3HG1  VAL  66          3HG1      VAL  66   0.441 -11.660  11.639
  475   1HG2  VAL  66          1HG2      VAL  66   4.400 -11.706  10.354
  476   2HG2  VAL  66          2HG2      VAL  66   4.190 -11.656  12.121
  477   3HG2  VAL  66          3HG2      VAL  66   3.490 -12.994  11.178
  478    H    TYR  67           HN       TYR  67   2.437  -7.830   8.847
  479    HA   TYR  67           HA       TYR  67   5.297  -7.440   9.137
  480   1HB   TYR  67          2HB       TYR  67   3.026  -6.510   7.550
  481   2HB   TYR  67          3HB       TYR  67   3.722  -5.111   8.342
  482    HD1  TYR  67           HD1      TYR  67   5.198  -3.919   7.023
  483    HD2  TYR  67           HD2      TYR  67   5.068  -8.178   6.626
  484    HE1  TYR  67           HE1      TYR  67   7.008  -3.816   5.241
  485    HE2  TYR  67           HE2      TYR  67   6.878  -8.060   4.846
  486    HH   TYR  67           HH       TYR  67   8.880  -5.856   4.456
  487    H    LEU  68           HN       LEU  68   2.487  -5.253   9.833
  488    HA   LEU  68           HA       LEU  68   3.816  -3.735  11.700
  489   1HB   LEU  68          2HB       LEU  68   1.086  -4.128  10.772
  490   2HB   LEU  68          3HB       LEU  68   1.146  -3.709  12.473
  491    HG   LEU  68           HG       LEU  68   0.898  -1.683  11.283
  492   1HD1  LEU  68          1HD1      LEU  68   2.721  -0.396  12.032
  493   2HD1  LEU  68          2HD1      LEU  68   2.638  -1.787  13.140
  494   3HD1  LEU  68          3HD1      LEU  68   3.863  -1.750  11.849
  495   1HD2  LEU  68          1HD2      LEU  68   1.394  -2.097   9.066
  496   2HD2  LEU  68          2HD2      LEU  68   2.739  -1.041   9.557
  497   3HD2  LEU  68          3HD2      LEU  68   2.987  -2.800   9.439
  498    H    GLY  69           HN       GLY  69   4.610  -4.141  13.689
  499   1HA   GLY  69          1HA       GLY  69   4.749  -4.994  15.780
  500   2HA   GLY  69          2HA       GLY  69   3.185  -5.757  15.571
  501    H    ALA  70           HN       ALA  70   6.407  -6.055  13.897
  502    HA   ALA  70           HA       ALA  70   6.671  -8.759  14.834
  503   1HB   ALA  70          1HB       ALA  70   6.863  -8.762  11.915
  504   2HB   ALA  70          2HB       ALA  70   5.987  -9.871  12.998
  505   3HB   ALA  70          3HB       ALA  70   5.224  -8.351  12.473
  506    H    GLU  71           HN       GLU  71   7.717  -6.174  12.530
  507    HA   GLU  71           HA       GLU  71  10.193  -6.939  11.960
  508   1HB   GLU  71          2HB       GLU  71   9.091  -4.198  12.644
  509   2HB   GLU  71          3HB       GLU  71  10.767  -4.385  12.167
  510   1HG   GLU  71          2HG       GLU  71   8.640  -5.687  10.462
  511   2HG   GLU  71          3HG       GLU  71   8.845  -3.951  10.350
  512    H    THR  72           HN       THR  72   9.475  -4.820  14.838
  513    HA   THR  72           HA       THR  72  11.738  -6.139  16.189
  514    HB   THR  72           HB       THR  72  12.064  -3.826  17.259
  515    HG1  THR  72           1HG      THR  72  10.403  -3.115  14.956
  516   1HG2  THR  72          1HG2      THR  72  12.349  -2.977  14.507
  517   2HG2  THR  72          2HG2      THR  72  13.630  -3.486  15.633
  518   3HG2  THR  72          3HG2      THR  72  12.813  -4.693  14.611
  519    H    THR  73           HN       THR  73   9.031  -7.080  16.239
  520    HA   THR  73           HA       THR  73   8.184  -6.237  18.925
  521    HB   THR  73           HB       THR  73   6.819  -7.220  16.424
  522    HG1  THR  73           1HG      THR  73   5.276  -5.630  17.600
  523   1HG2  THR  73          1HG2      THR  73   6.014  -7.905  19.272
  524   2HG2  THR  73          2HG2      THR  73   4.761  -7.514  18.071
  525   3HG2  THR  73          3HG2      THR  73   5.851  -8.895  17.802
  526    H    ARG  74           HN       ARG  74   8.618  -9.197  16.876
  527    HA   ARG  74           HA       ARG  74   9.039 -10.593  19.395
  528   1HB   ARG  74          2HB       ARG  74   8.044 -11.636  16.696
  529   2HB   ARG  74          3HB       ARG  74   8.429 -12.681  18.050
  530   1HG   ARG  74          2HG       ARG  74   6.487 -12.181  19.145
  531   2HG   ARG  74          3HG       ARG  74   6.645 -10.463  18.832
  532   1HD   ARG  74          2HD       ARG  74   5.023 -10.636  17.253
  533   2HD   ARG  74          3HD       ARG  74   6.092 -11.642  16.297
  534    HE   ARG  74           HE       ARG  74   3.883 -12.561  18.007
  535   1HH1  ARG  74          1HH1      ARG  74   4.410 -15.902  17.149
  536   2HH1  ARG  74          2HH1      ARG  74   3.335 -14.776  17.908
  537   1HH2  ARG  74          1HH2      ARG  74   6.409 -15.159  16.233
  538   2HH2  ARG  74          2HH2      ARG  74   6.825 -13.479  16.308
  539    H    SER  75           HN       SER  75  10.361  -9.602  16.309
  540    HA   SER  75           HA       SER  75  12.519 -11.522  16.557
  541   1HB   SER  75          2HB       SER  75  11.179 -10.894  14.345
  542   2HB   SER  75          3HB       SER  75  12.281  -9.533  14.295
  543    HG   SER  75           HG       SER  75  14.072 -11.001  14.285
  544    H    MET  76           HN       MET  76  11.896  -8.894  18.174
  545    HA   MET  76           HA       MET  76  13.441  -6.833  17.664
  546   1HB   MET  76          2HB       MET  76  12.397  -8.155  20.024
  547   2HB   MET  76          3HB       MET  76  14.015  -7.602  20.409
  548   1HG   MET  76          2HG       MET  76  12.155  -5.694  18.980
  549   2HG   MET  76          3HG       MET  76  11.894  -5.984  20.689
  550   1HE   MET  76          1HE       MET  76  12.034  -3.710  20.927
  551   2HE   MET  76          2HE       MET  76  13.245  -3.746  22.231
  552   3HE   MET  76          3HE       MET  76  13.465  -2.654  20.842
  553    H    GLY  77           HN       GLY  77  14.655  -9.954  19.048
  554   1HA   GLY  77          1HA       GLY  77  17.115  -9.855  17.735
  555   2HA   GLY  77          2HA       GLY  77  17.342  -9.140  19.317
  556    H    LEU  78           HN       LEU  78  15.208 -11.855  18.183
  557    HA   LEU  78           HA       LEU  78  16.630 -13.568  20.101
  558   1HB   LEU  78          2HB       LEU  78  14.686 -13.421  21.217
  559   2HB   LEU  78          3HB       LEU  78  13.763 -12.961  19.799
  560    HG   LEU  78           HG       LEU  78  13.208 -15.192  20.911
  561   1HD1  LEU  78          1HD1      LEU  78  13.745 -15.880  18.104
  562   2HD1  LEU  78          2HD1      LEU  78  12.209 -15.790  18.999
  563   3HD1  LEU  78          3HD1      LEU  78  12.940 -14.310  18.335
  564   1HD2  LEU  78          1HD2      LEU  78  14.958 -16.858  19.475
  565   2HD2  LEU  78          2HD2      LEU  78  15.986 -15.654  20.289
  566   3HD2  LEU  78          3HD2      LEU  78  14.852 -16.644  21.239
  567    H    ALA  79           HN       ALA  79  14.394 -13.627  17.233
  568    HA   ALA  79           HA       ALA  79  15.566 -16.132  16.404
  569   1HB   ALA  79          1HB       ALA  79  13.121 -14.636  15.972
  570   2HB   ALA  79          2HB       ALA  79  13.844 -15.091  14.411
  571   3HB   ALA  79          3HB       ALA  79  13.471 -16.345  15.619
  572    H    TYR  80           HN       TYR  80  15.744 -12.654  15.667
  573    HA   TYR  80           HA       TYR  80  16.704 -12.467  13.203
  574   1HB   TYR  80          2HB       TYR  80  17.928 -10.539  14.093
  575   2HB   TYR  80          3HB       TYR  80  16.562 -10.759  15.167
  576    HD1  TYR  80           HD1      TYR  80  19.859  -9.916  15.199
  577    HD2  TYR  80           HD2      TYR  80  17.224 -12.713  17.083
  578    HE1  TYR  80           HE1      TYR  80  21.439 -10.079  17.184
  579    HE2  TYR  80           HE2      TYR  80  18.814 -12.866  19.061
  580    HH   TYR  80           HH       TYR  80  21.817 -10.960  19.113
  Start of MODEL    9
    1    H    SER   1           HN       SER   1  -3.142  -5.565  12.134
    2    HA   SER   1           HA       SER   1  -3.553  -6.921   9.585
    3   1HB   SER   1          2HB       SER   1  -5.124  -4.778  10.904
    4   2HB   SER   1          3HB       SER   1  -4.710  -4.422   9.238
    5    HG   SER   1           HG       SER   1  -6.135  -6.730  10.244
    6    H    HIS   2           HN       HIS   2  -0.977  -6.478  10.313
    7    HA   HIS   2           HA       HIS   2  -0.251  -3.871   9.230
    8   1HB   HIS   2          2HB       HIS   2   2.091  -4.880  10.075
    9   2HB   HIS   2          3HB       HIS   2   1.002  -3.964  11.097
   10    HD1  HIS   2           HD1      HIS   2   0.541  -7.625  10.110
   11    HD2  HIS   2           HD2      HIS   2   1.409  -5.288  13.483
   12    HE1  HIS   2           HE1      HIS   2   0.506  -9.213  12.108
   13    H    SER   3           HN       SER   3   2.249  -4.326   8.176
   14    HA   SER   3           HA       SER   3   3.409  -5.313   6.582
   15   1HB   SER   3          2HB       SER   3   2.994  -7.462   5.803
   16   2HB   SER   3          3HB       SER   3   2.082  -7.493   7.299
   17    HG   SER   3           HG       SER   3   0.666  -8.270   5.764
   18    H    VAL   4           HN       VAL   4   3.619  -4.739   4.357
   19    HA   VAL   4           HA       VAL   4   1.179  -3.953   2.974
   20    HB   VAL   4           HB       VAL   4   3.514  -2.073   3.028
   21   1HG1  VAL   4          1HG1      VAL   4   0.543  -1.591   2.633
   22   2HG1  VAL   4          2HG1      VAL   4   1.866  -0.430   2.374
   23   3HG1  VAL   4          3HG1      VAL   4   1.711  -1.852   1.316
   24   1HG2  VAL   4          1HG2      VAL   4   2.942  -2.402   5.383
   25   2HG2  VAL   4          2HG2      VAL   4   2.431  -0.789   4.832
   26   3HG2  VAL   4          3HG2      VAL   4   1.227  -2.085   5.026
   27    H    LYS   5           HN       LYS   5   3.488  -6.059   2.978
   28    HA   LYS   5           HA       LYS   5   5.266  -5.771   1.004
   29   1HB   LYS   5          2HB       LYS   5   4.130  -7.900   2.424
   30   2HB   LYS   5          3HB       LYS   5   3.913  -8.335   0.740
   31   1HG   LYS   5          2HG       LYS   5   6.585  -7.283   1.737
   32   2HG   LYS   5          3HG       LYS   5   6.165  -8.975   1.922
   33   1HD   LYS   5          2HD       LYS   5   5.876  -7.640  -0.787
   34   2HD   LYS   5          3HD       LYS   5   7.454  -8.175  -0.246
   35   1HE   LYS   5          2HE       LYS   5   6.323 -10.470   0.245
   36   2HE   LYS   5          3HE       LYS   5   4.965  -9.874  -0.689
   37   1HZ   LYS   5          1HZ       LYS   5   7.196 -11.019  -1.688
   38   2HZ   LYS   5          2HZ       LYS   5   6.086 -10.187  -2.549
   39   3HZ   LYS   5          3HZ       LYS   5   7.430  -9.434  -2.008
   40    H    ILE   6           HN       ILE   6   5.364  -5.773  -1.249
   41    HA   ILE   6           HA       ILE   6   3.424  -4.569  -2.666
   42    HB   ILE   6           HB       ILE   6   5.501  -6.574  -3.526
   43   1HG1  ILE   6          2HG1      ILE   6   6.160  -4.081  -4.512
   44   2HG1  ILE   6          3HG1      ILE   6   5.446  -3.690  -2.960
   45   1HG2  ILE   6          1HG2      ILE   6   3.365  -5.269  -5.110
   46   2HG2  ILE   6          2HG2      ILE   6   5.007  -5.194  -5.792
   47   3HG2  ILE   6          3HG2      ILE   6   4.275  -6.770  -5.408
   48   1HD1  ILE   6          1HD1      ILE   6   7.088  -4.812  -1.753
   49   2HD1  ILE   6          2HD1      ILE   6   7.383  -5.993  -3.051
   50   3HD1  ILE   6          3HD1      ILE   6   8.037  -4.343  -3.183
   51    H    TYR   7           HN       TYR   7   1.292  -5.049  -2.759
   52    HA   TYR   7           HA       TYR   7   0.577  -7.686  -3.745
   53   1HB   TYR   7          2HB       TYR   7  -0.193  -6.357  -1.089
   54   2HB   TYR   7          3HB       TYR   7  -1.266  -7.535  -1.818
   55    HD1  TYR   7           HD1      TYR   7   0.554  -7.446   0.857
   56    HD2  TYR   7           HD2      TYR   7   0.740  -9.494  -2.895
   57    HE1  TYR   7           HE1      TYR   7   1.875  -9.328   1.942
   58    HE2  TYR   7           HE2      TYR   7   2.060 -11.370  -1.797
   59    HH   TYR   7           HH       TYR   7   2.588 -12.273   0.187
   60    H    ASP   8           HN       ASP   8  -1.770  -7.769  -4.396
   61    HA   ASP   8           HA       ASP   8  -2.419  -5.235  -5.568
   62   1HB   ASP   8          2HB       ASP   8  -3.908  -6.460  -6.971
   63   2HB   ASP   8          3HB       ASP   8  -2.527  -7.516  -6.755
   64    H    THR   9           HN       THR   9  -2.666  -5.174  -2.743
   65    HA   THR   9           HA       THR   9  -5.473  -5.666  -2.131
   66    HB   THR   9           HB       THR   9  -3.679  -6.394  -0.549
   67    HG1  THR   9           1HG      THR   9  -4.602  -4.903   1.239
   68   1HG2  THR   9          1HG2      THR   9  -3.178  -3.561   0.287
   69   2HG2  THR   9          2HG2      THR   9  -2.081  -4.962   0.332
   70   3HG2  THR   9          3HG2      THR   9  -2.338  -4.081  -1.194
   71    H    CYS  10           HN       CYS  10  -6.616  -4.150  -3.337
   72    HA   CYS  10           HA       CYS  10  -6.653  -1.567  -2.140
   73   1HB   CYS  10          2HB       CYS  10  -4.763  -1.465  -3.891
   74   2HB   CYS  10          3HB       CYS  10  -6.027  -1.580  -5.099
   75    H    ILE  11           HN       ILE  11  -8.478  -0.230  -3.307
   76    HA   ILE  11           HA       ILE  11 -10.291  -1.825  -4.872
   77    HB   ILE  11           HB       ILE  11 -12.159  -1.606  -3.315
   78   1HG1  ILE  11          2HG1      ILE  11 -11.302  -1.216  -0.820
   79   2HG1  ILE  11          3HG1      ILE  11 -10.105  -0.229  -1.635
   80   1HG2  ILE  11          1HG2      ILE  11  -9.895  -3.054  -1.933
   81   2HG2  ILE  11          2HG2      ILE  11 -11.626  -3.465  -1.964
   82   3HG2  ILE  11          3HG2      ILE  11 -10.643  -3.642  -3.438
   83   1HD1  ILE  11          1HD1      ILE  11 -11.620   1.425  -1.924
   84   2HD1  ILE  11          2HD1      ILE  11 -12.690   0.316  -2.816
   85   3HD1  ILE  11          3HD1      ILE  11 -12.819   0.445  -1.044
   86    H    GLY  12           HN       GLY  12  -9.692   1.170  -2.942
   87   1HA   GLY  12          1HA       GLY  12  -9.569   3.096  -4.646
   88   2HA   GLY  12          2HA       GLY  12 -11.249   2.689  -4.927
   89    H    CYS  13           HN       CYS  13  -9.352   2.656  -1.837
   90    HA   CYS  13           HA       CYS  13 -11.369   4.482  -0.768
   91   1HB   CYS  13          2HB       CYS  13 -11.279   3.393   1.219
   92   2HB   CYS  13          3HB       CYS  13 -10.729   2.066   0.216
   93    H    THR  14           HN       THR  14 -10.147   5.698   1.308
   94    HA   THR  14           HA       THR  14  -7.696   6.862   0.154
   95    HB   THR  14           HB       THR  14  -8.500   9.021   0.823
   96    HG1  THR  14           1HG      THR  14 -10.324   7.316   2.355
   97   1HG2  THR  14          1HG2      THR  14 -10.179   7.452  -0.814
   98   2HG2  THR  14          2HG2      THR  14 -11.279   8.121   0.415
   99   3HG2  THR  14          3HG2      THR  14 -10.296   9.213  -0.589
  100    H    GLN  15           HN       GLN  15  -6.403   5.303   1.284
  101    HA   GLN  15           HA       GLN  15  -5.554   6.265   3.731
  102   1HB   GLN  15          2HB       GLN  15  -6.500   4.935   5.353
  103   2HB   GLN  15          3HB       GLN  15  -7.841   4.939   4.224
  104   1HG   GLN  15          2HG       GLN  15  -6.981   2.806   3.213
  105   2HG   GLN  15          3HG       GLN  15  -5.664   2.798   4.368
  106   1HE2  GLN  15          1HE2      GLN  15  -6.806   0.640   4.654
  107   2HE2  GLN  15          2HE2      GLN  15  -8.002   0.538   5.903
  108    H    CYS  16           HN       CYS  16  -3.577   5.217   4.402
  109    HA   CYS  16           HA       CYS  16  -1.942   3.678   4.300
  110   1HB   CYS  16          2HB       CYS  16  -2.136   1.671   3.270
  111   2HB   CYS  16          3HB       CYS  16  -3.819   2.139   3.131
  112    H    VAL  17           HN       VAL  17  -3.260   5.138   1.278
  113    HA   VAL  17           HA       VAL  17  -0.571   5.550   0.268
  114    HB   VAL  17           HB       VAL  17  -3.239   6.334  -0.917
  115   1HG1  VAL  17          1HG1      VAL  17  -1.548   5.842  -3.004
  116   2HG1  VAL  17          2HG1      VAL  17  -1.853   7.451  -2.306
  117   3HG1  VAL  17          3HG1      VAL  17  -0.424   6.517  -1.801
  118   1HG2  VAL  17          1HG2      VAL  17  -2.673   4.203  -2.362
  119   2HG2  VAL  17          2HG2      VAL  17  -1.760   3.721  -0.913
  120   3HG2  VAL  17          3HG2      VAL  17  -3.507   4.044  -0.798
  121    H    ARG  18           HN       ARG  18  -2.138   6.911   2.712
  122    HA   ARG  18           HA       ARG  18  -1.379   9.593   1.868
  123   1HB   ARG  18          2HB       ARG  18  -3.877   8.611   2.996
  124   2HB   ARG  18          3HB       ARG  18  -3.160   9.753   4.114
  125   1HG   ARG  18          2HG       ARG  18  -4.440  11.138   2.684
  126   2HG   ARG  18          3HG       ARG  18  -2.817  11.302   2.045
  127   1HD   ARG  18          2HD       ARG  18  -3.784   9.063   0.673
  128   2HD   ARG  18          3HD       ARG  18  -5.209  10.073   0.802
  129    HE   ARG  18           HE       ARG  18  -2.813  11.537  -0.049
  130   1HH1  ARG  18          1HH1      ARG  18  -3.974  11.878  -3.321
  131   2HH1  ARG  18          2HH1      ARG  18  -2.797  12.401  -2.164
  132   1HH2  ARG  18          1HH2      ARG  18  -5.568  10.300  -2.723
  133   2HH2  ARG  18          2HH2      ARG  18  -5.580   9.645  -1.120
  134    H    ALA  19           HN       ALA  19  -1.798   7.322   4.669
  135    HA   ALA  19           HA       ALA  19  -0.169   8.916   6.388
  136   1HB   ALA  19          1HB       ALA  19  -1.191   6.056   6.609
  137   2HB   ALA  19          2HB       ALA  19  -0.456   6.998   7.928
  138   3HB   ALA  19          3HB       ALA  19  -2.008   7.511   7.225
  139    H    CYS  20           HN       CYS  20   1.774   9.202   5.104
  140    HA   CYS  20           HA       CYS  20   3.728   7.299   5.703
  141   1HB   CYS  20          2HB       CYS  20   2.529   6.094   3.809
  142   2HB   CYS  20          3HB       CYS  20   3.088   7.367   2.742
  143    HA   PRO  21           HA       PRO  21   5.186  11.449   4.893
  144   1HB   PRO  21          2HB       PRO  21   7.009  11.546   6.927
  145   2HB   PRO  21          3HB       PRO  21   5.342  12.054   7.110
  146   1HG   PRO  21          2HG       PRO  21   6.643   9.585   8.084
  147   2HG   PRO  21          3HG       PRO  21   5.132  10.307   8.601
  148   1HD   PRO  21          2HD       PRO  21   5.447   8.023   6.895
  149   2HD   PRO  21          3HD       PRO  21   3.943   8.816   7.320
  150    H    LEU  22           HN       LEU  22   7.098   8.584   5.467
  151    HA   LEU  22           HA       LEU  22   9.420   9.621   4.251
  152   1HB   LEU  22          2HB       LEU  22   8.427   6.936   5.096
  153   2HB   LEU  22          3HB       LEU  22   9.809   7.017   4.021
  154    HG   LEU  22           HG       LEU  22  10.615   8.787   5.896
  155   1HD1  LEU  22          1HD1      LEU  22   8.640   8.552   7.286
  156   2HD1  LEU  22          2HD1      LEU  22   8.892   6.792   7.390
  157   3HD1  LEU  22          3HD1      LEU  22  10.069   7.904   8.130
  158   1HD2  LEU  22          1HD2      LEU  22  11.141   6.015   6.723
  159   2HD2  LEU  22          2HD2      LEU  22  11.415   6.332   4.993
  160   3HD2  LEU  22          3HD2      LEU  22  12.261   7.305   6.221
  161    H    ASP  23           HN       ASP  23   6.347   8.728   3.006
  162    HA   ASP  23           HA       ASP  23   5.559   8.585   0.992
  163   1HB   ASP  23          2HB       ASP  23   8.061  10.076   0.609
  164   2HB   ASP  23          3HB       ASP  23   7.672   9.134  -0.816
  165    H    VAL  24           HN       VAL  24   5.502   6.200   1.272
  166    HA   VAL  24           HA       VAL  24   7.547   4.846  -0.348
  167    HB   VAL  24           HB       VAL  24   6.197   4.004   2.216
  168   1HG1  VAL  24          1HG1      VAL  24   6.118   2.117   0.650
  169   2HG1  VAL  24          2HG1      VAL  24   7.864   2.288   0.344
  170   3HG1  VAL  24          3HG1      VAL  24   7.286   1.815   1.959
  171   1HG2  VAL  24          1HG2      VAL  24   8.708   3.533   2.744
  172   2HG2  VAL  24          2HG2      VAL  24   9.021   4.631   1.379
  173   3HG2  VAL  24          3HG2      VAL  24   8.103   5.206   2.791
  174    H    LEU  25           HN       LEU  25   4.193   4.476   1.017
  175    HA   LEU  25           HA       LEU  25   3.326   2.640  -0.851
  176   1HB   LEU  25          2HB       LEU  25   1.837   4.740   0.724
  177   2HB   LEU  25          3HB       LEU  25   1.043   3.510  -0.239
  178    HG   LEU  25           HG       LEU  25   2.713   1.981   1.309
  179   1HD1  LEU  25          1HD1      LEU  25   1.898   4.397   2.932
  180   2HD1  LEU  25          2HD1      LEU  25   2.322   2.828   3.658
  181   3HD1  LEU  25          3HD1      LEU  25   3.527   3.720   2.697
  182   1HD2  LEU  25          1HD2      LEU  25  -0.095   2.505   1.049
  183   2HD2  LEU  25          2HD2      LEU  25   0.735   1.012   1.546
  184   3HD2  LEU  25          3HD2      LEU  25   0.302   2.237   2.762
  185    H    GLU  26           HN       GLU  26   3.872   2.991  -2.990
  186    HA   GLU  26           HA       GLU  26   2.780   5.455  -4.111
  187   1HB   GLU  26          2HB       GLU  26   5.155   3.821  -5.113
  188   2HB   GLU  26          3HB       GLU  26   4.532   5.272  -5.873
  189   1HG   GLU  26          2HG       GLU  26   5.116   5.588  -2.973
  190   2HG   GLU  26          3HG       GLU  26   6.527   5.217  -3.944
  191    H    MET  27           HN       MET  27   2.904   4.803  -6.841
  192    HA   MET  27           HA       MET  27   0.822   2.805  -6.920
  193   1HB   MET  27          2HB       MET  27   0.540   3.707  -9.287
  194   2HB   MET  27          3HB       MET  27   0.378   4.941  -8.053
  195   1HG   MET  27          2HG       MET  27   2.194   6.088  -8.823
  196   2HG   MET  27          3HG       MET  27   3.183   4.642  -8.869
  197   1HE   MET  27          1HE       MET  27   0.853   7.033 -10.645
  198   2HE   MET  27          2HE       MET  27   2.560   7.332 -11.052
  199   3HE   MET  27          3HE       MET  27   1.415   6.837 -12.323
  200    H    VAL  28           HN       VAL  28   0.968   0.837  -8.019
  201    HA   VAL  28           HA       VAL  28   3.538   0.322  -9.345
  202    HB   VAL  28           HB       VAL  28   3.820  -1.659  -8.248
  203   1HG1  VAL  28          1HG1      VAL  28   3.874   0.300  -6.654
  204   2HG1  VAL  28          2HG1      VAL  28   2.243  -0.177  -6.125
  205   3HG1  VAL  28          3HG1      VAL  28   3.614  -1.290  -5.896
  206   1HG2  VAL  28          1HG2      VAL  28   2.151  -3.077  -7.349
  207   2HG2  VAL  28          2HG2      VAL  28   0.945  -1.768  -7.307
  208   3HG2  VAL  28          3HG2      VAL  28   1.471  -2.444  -8.867
  209    HA   PRO  29           HA       PRO  29   1.200  -1.391 -12.559
  210   1HB   PRO  29          2HB       PRO  29   2.473  -3.701 -13.274
  211   2HB   PRO  29          3HB       PRO  29   3.046  -2.110 -13.731
  212   1HG   PRO  29          2HG       PRO  29   4.111  -3.943 -11.671
  213   2HG   PRO  29          3HG       PRO  29   4.894  -2.571 -12.430
  214   1HD   PRO  29          2HD       PRO  29   3.762  -2.660  -9.795
  215   2HD   PRO  29          3HD       PRO  29   4.441  -1.258 -10.598
  216    H    TRP  30           HN       TRP  30  -0.874  -1.938 -12.416
  217    HA   TRP  30           HA       TRP  30  -1.342  -4.614 -11.322
  218   1HB   TRP  30          2HB       TRP  30  -1.731  -3.065  -9.495
  219   2HB   TRP  30          3HB       TRP  30  -2.796  -2.096 -10.494
  220    HD1  TRP  30           HD1      TRP  30  -5.288  -2.590  -9.926
  221    HE1  TRP  30           HE1      TRP  30  -6.784  -4.611  -9.128
  222    HE3  TRP  30           HE3      TRP  30  -1.513  -5.990  -9.740
  223    HZ2  TRP  30           HZ2      TRP  30  -6.233  -7.346  -8.523
  224    HZ3  TRP  30           HZ3      TRP  30  -2.077  -8.314  -9.036
  225    HH2  TRP  30           HH2      TRP  30  -4.343  -9.012  -8.438
  226    H    ASP  31           HN       ASP  31  -3.837  -5.134 -11.828
  227    HA   ASP  31           HA       ASP  31  -4.519  -3.913 -14.370
  228   1HB   ASP  31          2HB       ASP  31  -3.289  -6.305 -14.392
  229   2HB   ASP  31          3HB       ASP  31  -4.896  -6.887 -14.006
  230    H    GLY  32           HN       GLY  32  -5.885  -2.994 -12.316
  231   1HA   GLY  32          1HA       GLY  32  -8.466  -4.328 -12.437
  232   2HA   GLY  32          2HA       GLY  32  -7.719  -4.259 -10.854
  233    H    CYS  33           HN       CYS  33  -6.315  -1.681 -11.303
  234    HA   CYS  33           HA       CYS  33  -8.449   0.008 -10.541
  235   1HB   CYS  33          2HB       CYS  33  -5.634   0.022 -10.310
  236   2HB   CYS  33          3HB       CYS  33  -6.036   1.457 -11.231
  237    HG   CYS  33           HG       CYS  33  -6.293   2.626  -9.152
  238    H    LYS  34           HN       LYS  34  -8.734   2.238 -11.697
  239    HA   LYS  34           HA       LYS  34  -9.558   1.748 -14.328
  240   1HB   LYS  34          2HB       LYS  34  -9.966   3.700 -12.372
  241   2HB   LYS  34          3HB       LYS  34  -9.180   4.567 -13.675
  242   1HG   LYS  34          2HG       LYS  34 -11.002   2.948 -15.043
  243   2HG   LYS  34          3HG       LYS  34 -11.881   3.356 -13.582
  244   1HD   LYS  34          2HD       LYS  34 -11.830   5.677 -14.031
  245   2HD   LYS  34          3HD       LYS  34 -10.425   5.553 -15.071
  246   1HE   LYS  34          2HE       LYS  34 -11.787   5.435 -16.879
  247   2HE   LYS  34          3HE       LYS  34 -12.442   3.925 -16.278
  248   1HZ   LYS  34          1HZ       LYS  34 -14.006   5.870 -16.619
  249   2HZ   LYS  34          2HZ       LYS  34 -14.157   5.022 -15.233
  250   3HZ   LYS  34          3HZ       LYS  34 -13.407   6.472 -15.224
  251    H    ALA  35           HN       ALA  35  -6.472   2.610 -12.927
  252    HA   ALA  35           HA       ALA  35  -5.482   3.219 -15.628
  253   1HB   ALA  35          1HB       ALA  35  -4.354   4.086 -12.936
  254   2HB   ALA  35          2HB       ALA  35  -3.750   4.556 -14.543
  255   3HB   ALA  35          3HB       ALA  35  -5.352   5.106 -14.000
  256    H    GLY  36           HN       GLY  36  -5.981   0.595 -14.054
  257   1HA   GLY  36          1HA       GLY  36  -4.896  -1.328 -13.579
  258   2HA   GLY  36          2HA       GLY  36  -3.984  -0.953 -15.027
  259    H    GLN  37           HN       GLN  37  -4.094   0.493 -11.686
  260    HA   GLN  37           HA       GLN  37  -1.395  -0.372 -11.271
  261   1HB   GLN  37          2HB       GLN  37  -0.630   1.982 -10.701
  262   2HB   GLN  37          3HB       GLN  37  -0.892   1.686 -12.409
  263   1HG   GLN  37          2HG       GLN  37  -2.314   3.450 -12.443
  264   2HG   GLN  37          3HG       GLN  37  -3.416   2.529 -11.438
  265   1HE2  GLN  37          1HE2      GLN  37  -3.831   3.175  -9.445
  266   2HE2  GLN  37          2HE2      GLN  37  -3.012   4.428  -8.575
  267    H    ILE  38           HN       ILE  38  -1.325  -1.119  -9.199
  268    HA   ILE  38           HA       ILE  38  -3.357  -0.111  -7.360
  269    HB   ILE  38           HB       ILE  38  -2.942  -2.602  -7.980
  270   1HG1  ILE  38          2HG1      ILE  38  -3.145  -2.673  -5.119
  271   2HG1  ILE  38          3HG1      ILE  38  -3.979  -1.245  -5.699
  272   1HG2  ILE  38          1HG2      ILE  38  -1.405  -3.653  -6.227
  273   2HG2  ILE  38          2HG2      ILE  38  -0.640  -2.872  -7.632
  274   3HG2  ILE  38          3HG2      ILE  38  -0.684  -2.035  -6.062
  275   1HD1  ILE  38          1HD1      ILE  38  -5.546  -2.467  -6.910
  276   2HD1  ILE  38          2HD1      ILE  38  -4.423  -3.817  -7.202
  277   3HD1  ILE  38          3HD1      ILE  38  -5.196  -3.631  -5.609
  278    H    ALA  39           HN       ALA  39  -2.851   0.928  -5.442
  279    HA   ALA  39           HA       ALA  39  -0.233   2.077  -5.336
  280   1HB   ALA  39          1HB       ALA  39  -1.297   3.655  -4.119
  281   2HB   ALA  39          2HB       ALA  39  -2.800   2.798  -4.537
  282   3HB   ALA  39          3HB       ALA  39  -1.975   2.449  -2.999
  283    H    SER  40           HN       SER  40   1.464   0.856  -4.655
  284    HA   SER  40           HA       SER  40   1.064  -0.551  -2.149
  285   1HB   SER  40          2HB       SER  40   2.032  -1.709  -4.759
  286   2HB   SER  40          3HB       SER  40   2.751  -2.302  -3.276
  287    HG   SER  40           HG       SER  40   0.674  -2.931  -2.515
  288    H    SER  41           HN       SER  41   3.591  -1.521  -1.671
  289    HA   SER  41           HA       SER  41   5.233   0.873  -1.970
  290   1HB   SER  41          2HB       SER  41   5.133  -1.139   0.321
  291   2HB   SER  41          3HB       SER  41   6.320   0.145   0.197
  292    HG   SER  41           HG       SER  41   4.689   0.981   1.479
  293    HA   PRO  42           HA       PRO  42   7.499  -2.381  -4.074
  294   1HB   PRO  42          2HB       PRO  42   8.530  -0.818  -6.064
  295   2HB   PRO  42          3HB       PRO  42   7.012  -1.679  -6.212
  296   1HG   PRO  42          2HG       PRO  42   7.469   1.208  -5.774
  297   2HG   PRO  42          3HG       PRO  42   6.021   0.399  -6.341
  298   1HD   PRO  42          2HD       PRO  42   6.485   1.446  -3.711
  299   2HD   PRO  42          3HD       PRO  42   5.086   0.537  -4.245
  300    H    ARG  43           HN       ARG  43   8.937   0.854  -4.026
  301    HA   ARG  43           HA       ARG  43  11.370  -0.420  -3.160
  302   1HB   ARG  43          2HB       ARG  43  10.863   2.530  -3.794
  303   2HB   ARG  43          3HB       ARG  43  12.429   1.762  -3.628
  304   1HG   ARG  43          2HG       ARG  43  10.400   0.836  -5.703
  305   2HG   ARG  43          3HG       ARG  43  11.537   2.126  -6.036
  306   1HD   ARG  43          2HD       ARG  43  12.939   0.444  -6.709
  307   2HD   ARG  43          3HD       ARG  43  13.234   0.214  -4.997
  308    HE   ARG  43           HE       ARG  43  10.877  -1.221  -6.024
  309   1HH1  ARG  43          1HH1      ARG  43  12.430  -4.324  -5.647
  310   2HH1  ARG  43          2HH1      ARG  43  10.935  -3.504  -5.953
  311   1HH2  ARG  43          1HH2      ARG  43  14.375  -3.102  -5.310
  312   2HH2  ARG  43          2HH2      ARG  43  14.330  -1.371  -5.364
  313    H    THR  44           HN       THR  44  10.549  -0.965  -0.970
  314    HA   THR  44           HA       THR  44   9.919   1.295   0.751
  315    HB   THR  44           HB       THR  44  10.028  -1.718   1.297
  316    HG1  THR  44           1HG      THR  44   8.011  -1.649   0.352
  317   1HG2  THR  44          1HG2      THR  44   9.705   0.438   3.090
  318   2HG2  THR  44          2HG2      THR  44   8.039  -0.050   2.695
  319   3HG2  THR  44          3HG2      THR  44   9.179  -1.239   3.371
  320    H    GLU  45           HN       GLU  45  12.607   1.110  -0.458
  321    HA   GLU  45           HA       GLU  45  14.384   0.081   1.410
  322   1HB   GLU  45          2HB       GLU  45  16.081   1.145   0.127
  323   2HB   GLU  45          3HB       GLU  45  14.820   0.766  -1.029
  324   1HG   GLU  45          2HG       GLU  45  13.964   3.074  -0.934
  325   2HG   GLU  45          3HG       GLU  45  15.089   3.479   0.348
  326    H    ASP  46           HN       ASP  46  12.418   2.975   1.371
  327    HA   ASP  46           HA       ASP  46  13.976   3.977   3.624
  328   1HB   ASP  46          2HB       ASP  46  12.597   5.312   1.332
  329   2HB   ASP  46          3HB       ASP  46  12.371   6.093   2.885
  330    H    CYS  47           HN       CYS  47  12.840   3.084   5.397
  331    HA   CYS  47           HA       CYS  47  10.547   4.152   6.306
  332   1HB   CYS  47          2HB       CYS  47   9.060   3.433   4.702
  333   2HB   CYS  47          3HB       CYS  47   9.941   1.955   4.369
  334    H    VAL  48           HN       VAL  48  10.861   3.696   8.457
  335    HA   VAL  48           HA       VAL  48  11.742   0.975   9.121
  336    HB   VAL  48           HB       VAL  48  13.667   2.369   9.275
  337   1HG1  VAL  48          1HG1      VAL  48  11.870   4.284  10.781
  338   2HG1  VAL  48          2HG1      VAL  48  13.647   4.378  10.848
  339   3HG1  VAL  48          3HG1      VAL  48  12.803   4.575   9.293
  340   1HG2  VAL  48          1HG2      VAL  48  12.498   1.080  11.542
  341   2HG2  VAL  48          2HG2      VAL  48  14.220   1.296  11.148
  342   3HG2  VAL  48          3HG2      VAL  48  13.367   2.526  12.111
  343    H    GLY  49           HN       GLY  49   9.082   1.418   9.017
  344   1HA   GLY  49          1HA       GLY  49   7.178   1.471  10.212
  345   2HA   GLY  49          2HA       GLY  49   8.138   0.814  11.521
  346    H    CYS  50           HN       CYS  50   7.040   3.865   9.963
  347    HA   CYS  50           HA       CYS  50   7.886   5.349  12.307
  348   1HB   CYS  50          2HB       CYS  50   7.679   7.288  11.047
  349   2HB   CYS  50          3HB       CYS  50   8.203   6.121   9.849
  350    H    LYS  51           HN       LYS  51   5.615   3.234  12.086
  351    HA   LYS  51           HA       LYS  51   3.452   2.998  12.582
  352   1HB   LYS  51          2HB       LYS  51   4.886   4.009  14.715
  353   2HB   LYS  51          3HB       LYS  51   3.485   5.061  14.678
  354   1HG   LYS  51          2HG       LYS  51   2.561   2.367  14.218
  355   2HG   LYS  51          3HG       LYS  51   3.649   2.324  15.592
  356   1HD   LYS  51          2HD       LYS  51   2.117   4.626  16.068
  357   2HD   LYS  51          3HD       LYS  51   0.955   3.515  15.371
  358   1HE   LYS  51          2HE       LYS  51   0.887   2.277  17.275
  359   2HE   LYS  51          3HE       LYS  51   2.630   2.092  17.286
  360   1HZ   LYS  51          1HZ       LYS  51   2.838   3.737  18.745
  361   2HZ   LYS  51          2HZ       LYS  51   1.737   4.703  18.024
  362   3HZ   LYS  51          3HZ       LYS  51   1.247   3.530  19.049
  363    H    ARG  52           HN       ARG  52   3.002   4.026  10.379
  364    HA   ARG  52           HA       ARG  52   1.340   6.353  10.890
  365   1HB   ARG  52          2HB       ARG  52   3.539   6.017   8.891
  366   2HB   ARG  52          3HB       ARG  52   2.067   6.721   8.249
  367   1HG   ARG  52          2HG       ARG  52   3.323   7.758  10.822
  368   2HG   ARG  52          3HG       ARG  52   3.853   8.335   9.254
  369   1HD   ARG  52          2HD       ARG  52   2.149   9.842   9.362
  370   2HD   ARG  52          3HD       ARG  52   1.060   8.501   9.064
  371    HE   ARG  52           HE       ARG  52   1.642   8.490  11.844
  372   1HH1  ARG  52          1HH1      ARG  52  -0.957  10.575  12.879
  373   2HH1  ARG  52          2HH1      ARG  52   0.206   9.391  13.375
  374   1HH2  ARG  52          1HH2      ARG  52  -1.058  11.245  10.659
  375   2HH2  ARG  52          2HH2      ARG  52   0.032  10.562   9.499
  376    H    CYS  53           HN       CYS  53   2.216   3.880   8.356
  377    HA   CYS  53           HA       CYS  53  -0.191   3.907   7.034
  378   1HB   CYS  53          2HB       CYS  53   0.509   1.424   6.503
  379   2HB   CYS  53          3HB       CYS  53   1.429   2.772   5.865
  380    H    GLU  54           HN       GLU  54   0.457   0.730   8.377
  381    HA   GLU  54           HA       GLU  54  -0.533  -0.511   9.888
  382   1HB   GLU  54          2HB       GLU  54  -0.607   1.649  11.312
  383   2HB   GLU  54          3HB       GLU  54  -2.271   1.817  10.790
  384   1HG   GLU  54          2HG       GLU  54  -2.908  -0.285  11.813
  385   2HG   GLU  54          3HG       GLU  54  -1.237  -0.753  12.061
  386    H    THR  55           HN       THR  55  -2.768   1.876   8.326
  387    HA   THR  55           HA       THR  55  -5.112   0.598   8.298
  388    HB   THR  55           HB       THR  55  -5.336   1.618   5.936
  389    HG1  THR  55           1HG      THR  55  -3.262   1.635   5.098
  390   1HG2  THR  55          1HG2      THR  55  -4.811   3.974   6.668
  391   2HG2  THR  55          2HG2      THR  55  -5.754   3.088   7.889
  392   3HG2  THR  55          3HG2      THR  55  -4.003   3.317   8.111
  393    H    ALA  56           HN       ALA  56  -2.574  -0.067   5.786
  394    HA   ALA  56           HA       ALA  56  -2.404  -1.788   4.375
  395   1HB   ALA  56          1HB       ALA  56  -2.999  -3.477   6.826
  396   2HB   ALA  56          2HB       ALA  56  -1.892  -3.838   5.479
  397   3HB   ALA  56          3HB       ALA  56  -1.488  -2.554   6.644
  398    H    CYS  57           HN       CYS  57  -4.929  -0.650   4.131
  399    HA   CYS  57           HA       CYS  57  -6.897  -1.058   3.250
  400   1HB   CYS  57          2HB       CYS  57  -5.369  -3.216   2.349
  401   2HB   CYS  57          3HB       CYS  57  -6.825  -3.966   2.974
  402    HA   PRO  58           HA       PRO  58  -9.246  -2.328   6.694
  403   1HB   PRO  58          2HB       PRO  58 -11.775  -2.305   5.658
  404   2HB   PRO  58          3HB       PRO  58 -10.941  -0.856   6.182
  405   1HG   PRO  58          2HG       PRO  58 -11.450  -1.810   3.430
  406   2HG   PRO  58          3HG       PRO  58 -11.013  -0.202   3.971
  407   1HD   PRO  58          2HD       PRO  58  -9.286  -2.123   2.723
  408   2HD   PRO  58          3HD       PRO  58  -8.823  -0.560   3.368
  409    H    THR  59           HN       THR  59  -7.867  -4.433   5.768
  410    HA   THR  59           HA       THR  59  -7.897  -6.656   5.905
  411    HB   THR  59           HB       THR  59 -10.846  -6.433   6.686
  412    HG1  THR  59           1HG      THR  59  -9.129  -5.017   7.809
  413   1HG2  THR  59          1HG2      THR  59 -10.445  -8.724   6.797
  414   2HG2  THR  59          2HG2      THR  59  -8.681  -8.508   6.902
  415   3HG2  THR  59          3HG2      THR  59  -9.693  -8.268   8.346
  416    H    ASP  60           HN       ASP  60  -9.564  -4.798   3.708
  417    HA   ASP  60           HA       ASP  60 -11.180  -6.331   2.291
  418   1HB   ASP  60          2HB       ASP  60  -9.359  -4.135   1.745
  419   2HB   ASP  60          3HB       ASP  60  -9.341  -5.228   0.375
  420    H    PHE  61           HN       PHE  61  -7.662  -6.702   2.711
  421    HA   PHE  61           HA       PHE  61  -7.815  -9.235   1.281
  422   1HB   PHE  61          2HB       PHE  61  -6.179  -6.763   0.691
  423   2HB   PHE  61          3HB       PHE  61  -5.306  -8.279   0.595
  424    HD1  PHE  61           1HD      PHE  61  -5.293  -9.419  -1.415
  425    HD2  PHE  61           2HD      PHE  61  -8.477  -6.729  -0.621
  426    HE1  PHE  61           1HE      PHE  61  -6.178  -9.782  -3.735
  427    HE2  PHE  61           2HE      PHE  61  -9.363  -7.092  -2.941
  428    HZ   PHE  61           HZ       PHE  61  -8.203  -8.614  -4.470
  429    H    LEU  62           HN       LEU  62  -5.012  -7.316   2.512
  430    HA   LEU  62           HA       LEU  62  -3.360  -7.997   3.858
  431   1HB   LEU  62          2HB       LEU  62  -5.885  -7.992   5.440
  432   2HB   LEU  62          3HB       LEU  62  -4.431  -8.583   6.217
  433    HG   LEU  62           HG       LEU  62  -4.366  -5.929   4.814
  434   1HD1  LEU  62          1HD1      LEU  62  -5.995  -5.106   6.087
  435   2HD1  LEU  62          2HD1      LEU  62  -6.073  -6.581   7.080
  436   3HD1  LEU  62          3HD1      LEU  62  -4.891  -5.308   7.469
  437   1HD2  LEU  62          1HD2      LEU  62  -3.018  -6.077   7.356
  438   2HD2  LEU  62          2HD2      LEU  62  -2.545  -7.451   6.328
  439   3HD2  LEU  62          3HD2      LEU  62  -2.351  -5.785   5.732
  440    H    SER  63           HN       SER  63  -2.565  -9.824   2.707
  441    HA   SER  63           HA       SER  63  -3.209 -12.292   4.087
  442   1HB   SER  63          2HB       SER  63  -3.319 -11.797   1.101
  443   2HB   SER  63          3HB       SER  63  -2.912 -13.392   1.703
  444    HG   SER  63           HG       SER  63  -4.943 -13.709   2.385
  445    H    ILE  64           HN       ILE  64  -1.335 -13.254   4.798
  446    HA   ILE  64           HA       ILE  64   0.795 -13.812   4.968
  447    HB   ILE  64           HB       ILE  64   0.988 -12.971   2.074
  448   1HG1  ILE  64          2HG1      ILE  64   1.040 -15.688   2.079
  449   2HG1  ILE  64          3HG1      ILE  64  -0.030 -15.400   3.436
  450   1HG2  ILE  64          1HG2      ILE  64   3.188 -13.189   2.365
  451   2HG2  ILE  64          2HG2      ILE  64   2.992 -13.903   3.984
  452   3HG2  ILE  64          3HG2      ILE  64   2.879 -14.935   2.537
  453   1HD1  ILE  64          1HD1      ILE  64  -1.717 -14.963   1.995
  454   2HD1  ILE  64          2HD1      ILE  64  -0.805 -13.566   1.373
  455   3HD1  ILE  64          3HD1      ILE  64  -0.606 -15.165   0.619
  456    H    ARG  65           HN       ARG  65   2.802 -12.863   5.606
  457    HA   ARG  65           HA       ARG  65   4.201 -11.272   6.098
  458   1HB   ARG  65          2HB       ARG  65   2.589  -9.266   4.453
  459   2HB   ARG  65          3HB       ARG  65   4.272  -9.133   4.923
  460   1HG   ARG  65          2HG       ARG  65   3.197 -11.359   3.129
  461   2HG   ARG  65          3HG       ARG  65   3.887  -9.870   2.513
  462   1HD   ARG  65          2HD       ARG  65   6.063 -10.377   3.370
  463   2HD   ARG  65          3HD       ARG  65   5.446 -11.580   4.483
  464    HE   ARG  65           HE       ARG  65   4.934 -12.197   1.655
  465   1HH1  ARG  65          1HH1      ARG  65   7.248 -14.810   1.648
  466   2HH1  ARG  65          2HH1      ARG  65   5.957 -14.047   0.783
  467   1HH2  ARG  65          1HH2      ARG  65   7.941 -13.955   3.692
  468   2HH2  ARG  65          2HH2      ARG  65   7.166 -12.553   4.352
  469    H    VAL  66           HN       VAL  66   4.218 -10.311   8.120
  470    HA   VAL  66           HA       VAL  66   1.909  -8.693   8.873
  471    HB   VAL  66           HB       VAL  66   2.130  -9.901  11.163
  472   1HG1  VAL  66          1HG1      VAL  66   0.164  -9.900   9.578
  473   2HG1  VAL  66          2HG1      VAL  66   0.811 -11.407   8.885
  474   3HG1  VAL  66          3HG1      VAL  66   0.316 -11.354  10.594
  475   1HG2  VAL  66          1HG2      VAL  66   3.190 -12.049   9.295
  476   2HG2  VAL  66          2HG2      VAL  66   4.100 -11.248  10.598
  477   3HG2  VAL  66          3HG2      VAL  66   2.708 -12.285  10.992
  478    H    TYR  67           HN       TYR  67   3.452  -6.949   8.443
  479    HA   TYR  67           HA       TYR  67   5.149  -6.521  10.773
  480   1HB   TYR  67          2HB       TYR  67   6.195  -5.732   8.053
  481   2HB   TYR  67          3HB       TYR  67   7.096  -6.333   9.431
  482    HD1  TYR  67           HD1      TYR  67   6.510  -8.913  10.034
  483    HD2  TYR  67           HD2      TYR  67   6.087  -7.096   6.184
  484    HE1  TYR  67           HE1      TYR  67   6.658 -11.199   8.932
  485    HE2  TYR  67           HE2      TYR  67   6.235  -9.388   5.094
  486    HH   TYR  67           HH       TYR  67   6.671 -12.304   7.084
  487    H    LEU  68           HN       LEU  68   4.932  -4.467  11.542
  488    HA   LEU  68           HA       LEU  68   3.034  -2.752  10.662
  489   1HB   LEU  68          2HB       LEU  68   4.985  -2.815  12.644
  490   2HB   LEU  68          3HB       LEU  68   5.332  -1.344  11.756
  491    HG   LEU  68           HG       LEU  68   2.668  -2.066  13.009
  492   1HD1  LEU  68          1HD1      LEU  68   4.431  -1.560  14.653
  493   2HD1  LEU  68          2HD1      LEU  68   4.709   0.007  13.857
  494   3HD1  LEU  68          3HD1      LEU  68   3.144  -0.330  14.635
  495   1HD2  LEU  68          1HD2      LEU  68   1.715  -0.479  11.790
  496   2HD2  LEU  68          2HD2      LEU  68   2.917   0.710  12.347
  497   3HD2  LEU  68          3HD2      LEU  68   3.240  -0.269  10.895
  498    H    GLY  69           HN       GLY  69   6.241  -3.327   9.308
  499   1HA   GLY  69          1HA       GLY  69   5.946  -2.475   6.839
  500   2HA   GLY  69          2HA       GLY  69   6.084  -0.926   7.645
  501    H    ALA  70           HN       ALA  70   7.849  -2.463   9.780
  502    HA   ALA  70           HA       ALA  70  10.165  -3.266   8.380
  503   1HB   ALA  70          1HB       ALA  70   9.967  -0.402   9.338
  504   2HB   ALA  70          2HB       ALA  70  11.535  -1.242   9.269
  505   3HB   ALA  70          3HB       ALA  70  10.574  -1.024   7.785
  506    H    GLU  71           HN       GLU  71   9.435  -1.336  11.379
  507    HA   GLU  71           HA       GLU  71   9.804  -1.745  13.481
  508   1HB   GLU  71          2HB       GLU  71   9.447  -4.715  12.955
  509   2HB   GLU  71          3HB       GLU  71   9.018  -3.816  14.396
  510   1HG   GLU  71          2HG       GLU  71   6.948  -3.443  13.559
  511   2HG   GLU  71          3HG       GLU  71   7.642  -2.566  12.211
  512    H    THR  72           HN       THR  72  11.313  -2.747  15.141
  513    HA   THR  72           HA       THR  72  13.658  -4.008  13.926
  514    HB   THR  72           HB       THR  72  15.057  -2.311  15.269
  515    HG1  THR  72           1HG      THR  72  13.146  -1.646  16.559
  516   1HG2  THR  72          1HG2      THR  72  13.414  -1.701  12.835
  517   2HG2  THR  72          2HG2      THR  72  14.089  -0.289  13.686
  518   3HG2  THR  72          3HG2      THR  72  15.173  -1.562  13.074
  519    H    THR  73           HN       THR  73  11.681  -5.367  15.310
  520    HA   THR  73           HA       THR  73  12.990  -5.787  17.919
  521    HB   THR  73           HB       THR  73  10.075  -5.884  17.024
  522    HG1  THR  73           1HG      THR  73  10.045  -4.225  18.574
  523   1HG2  THR  73          1HG2      THR  73   9.724  -6.569  19.510
  524   2HG2  THR  73          2HG2      THR  73  10.217  -7.864  18.393
  525   3HG2  THR  73          3HG2      THR  73  11.417  -7.115  19.474
  526    H    ARG  74           HN       ARG  74  11.214  -7.393  15.205
  527    HA   ARG  74           HA       ARG  74  12.671  -9.793  15.965
  528   1HB   ARG  74          2HB       ARG  74  10.877 -11.068  14.818
  529   2HB   ARG  74          3HB       ARG  74  10.193 -10.026  16.051
  530   1HG   ARG  74          2HG       ARG  74  10.447  -8.918  13.256
  531   2HG   ARG  74          3HG       ARG  74   9.195 -10.108  13.553
  532   1HD   ARG  74          2HD       ARG  74   9.317  -8.019  15.653
  533   2HD   ARG  74          3HD       ARG  74   8.983  -7.368  14.061
  534    HE   ARG  74           HE       ARG  74   7.290  -9.566  14.236
  535   1HH1  ARG  74          1HH1      ARG  74   4.653  -8.229  16.089
  536   2HH1  ARG  74          2HH1      ARG  74   5.136  -9.483  14.998
  537   1HH2  ARG  74          1HH2      ARG  74   6.191  -6.634  16.780
  538   2HH2  ARG  74          2HH2      ARG  74   7.823  -6.697  16.203
  539    H    SER  75           HN       SER  75  12.154  -7.324  13.548
  540    HA   SER  75           HA       SER  75  13.574  -8.952  11.594
  541   1HB   SER  75          2HB       SER  75  11.254  -7.340  11.352
  542   2HB   SER  75          3HB       SER  75  12.522  -6.429  10.556
  543    HG   SER  75           HG       SER  75  11.291  -8.068   9.228
  544    H    MET  76           HN       MET  76  14.592  -7.329  14.016
  545    HA   MET  76           HA       MET  76  15.706  -4.976  13.311
  546   1HB   MET  76          2HB       MET  76  16.023  -6.996  15.355
  547   2HB   MET  76          3HB       MET  76  17.635  -6.542  14.839
  548   1HG   MET  76          2HG       MET  76  15.632  -4.340  15.373
  549   2HG   MET  76          3HG       MET  76  16.350  -5.160  16.745
  550   1HE   MET  76          1HE       MET  76  18.344  -1.806  16.465
  551   2HE   MET  76          2HE       MET  76  16.627  -2.276  16.505
  552   3HE   MET  76          3HE       MET  76  17.773  -2.993  17.663
  553    H    GLY  77           HN       GLY  77  17.106  -8.287  12.824
  554   1HA   GLY  77          1HA       GLY  77  18.218  -8.724  10.735
  555   2HA   GLY  77          2HA       GLY  77  18.889  -7.106  10.783
  556    H    LEU  78           HN       LEU  78  18.608  -9.172  13.691
  557    HA   LEU  78           HA       LEU  78  21.525  -9.150  13.846
  558   1HB   LEU  78          2HB       LEU  78  19.702  -9.979  16.071
  559   2HB   LEU  78          3HB       LEU  78  21.319  -9.308  16.145
  560    HG   LEU  78           HG       LEU  78  18.690  -7.922  15.813
  561   1HD1  LEU  78          1HD1      LEU  78  20.747  -8.094  17.785
  562   2HD1  LEU  78          2HD1      LEU  78  20.640  -6.408  17.225
  563   3HD1  LEU  78          3HD1      LEU  78  19.193  -7.228  17.856
  564   1HD2  LEU  78          1HD2      LEU  78  20.405  -5.884  15.259
  565   2HD2  LEU  78          2HD2      LEU  78  21.146  -7.216  14.341
  566   3HD2  LEU  78          3HD2      LEU  78  19.450  -6.767  14.044
  567    H    ALA  79           HN       ALA  79  18.676 -11.359  14.255
  568    HA   ALA  79           HA       ALA  79  20.414 -13.520  13.317
  569   1HB   ALA  79          1HB       ALA  79  18.470 -13.765  15.643
  570   2HB   ALA  79          2HB       ALA  79  19.609 -14.996  15.049
  571   3HB   ALA  79          3HB       ALA  79  20.222 -13.523  15.838
  572    H    TYR  80           HN       TYR  80  17.017 -12.601  14.236
  573    HA   TYR  80           HA       TYR  80  15.560 -14.379  12.909
  574   1HB   TYR  80          2HB       TYR  80  15.285 -11.322  12.646
  575   2HB   TYR  80          3HB       TYR  80  13.961 -12.469  12.611
  576    HD1  TYR  80           HD1      TYR  80  16.174 -10.508  14.717
  577    HD2  TYR  80           HD2      TYR  80  13.313 -13.690  14.712
  578    HE1  TYR  80           HE1      TYR  80  15.881 -10.259  17.231
  579    HE2  TYR  80           HE2      TYR  80  13.030 -13.429  17.225
  580    HH   TYR  80           HH       TYR  80  15.167 -11.468  19.085
  Start of MODEL   10
    1    H    SER   1           HN       SER   1  -5.355  -3.086   8.366
    2    HA   SER   1           HA       SER   1  -4.976  -2.341  10.405
    3   1HB   SER   1          2HB       SER   1  -4.342  -5.222  11.184
    4   2HB   SER   1          3HB       SER   1  -4.372  -3.879  12.309
    5    HG   SER   1           HG       SER   1  -6.436  -4.477  12.513
    6    H    HIS   2           HN       HIS   2  -2.650  -5.082   9.781
    7    HA   HIS   2           HA       HIS   2  -0.529  -3.068   9.741
    8   1HB   HIS   2          2HB       HIS   2   0.909  -4.916  10.821
    9   2HB   HIS   2          3HB       HIS   2  -0.161  -3.970  11.837
   10    HD1  HIS   2           HD1      HIS   2  -2.514  -5.183  12.496
   11    HD2  HIS   2           HD2      HIS   2   0.493  -7.642  10.912
   12    HE1  HIS   2           HE1      HIS   2  -3.163  -7.578  13.088
   13    H    SER   3           HN       SER   3   1.620  -4.667   9.047
   14    HA   SER   3           HA       SER   3   2.589  -5.603   7.348
   15   1HB   SER   3          2HB       SER   3   0.743  -7.259   6.038
   16   2HB   SER   3          3HB       SER   3   1.844  -7.737   7.315
   17    HG   SER   3           HG       SER   3  -0.913  -7.441   7.385
   18    H    VAL   4           HN       VAL   4   3.125  -4.584   5.447
   19    HA   VAL   4           HA       VAL   4   0.932  -3.788   3.683
   20    HB   VAL   4           HB       VAL   4   3.168  -2.025   4.696
   21   1HG1  VAL   4          1HG1      VAL   4   1.365  -1.775   2.308
   22   2HG1  VAL   4          2HG1      VAL   4   1.839  -0.311   3.202
   23   3HG1  VAL   4          3HG1      VAL   4   3.087  -1.360   2.486
   24   1HG2  VAL   4          1HG2      VAL   4   1.263  -2.189   6.221
   25   2HG2  VAL   4          2HG2      VAL   4   1.331  -0.576   5.471
   26   3HG2  VAL   4          3HG2      VAL   4   0.147  -1.774   4.897
   27    H    LYS   5           HN       LYS   5   2.065  -6.061   3.067
   28    HA   LYS   5           HA       LYS   5   4.585  -5.905   1.829
   29   1HB   LYS   5          2HB       LYS   5   2.501  -7.877   2.280
   30   2HB   LYS   5          3HB       LYS   5   3.144  -8.014   0.656
   31   1HG   LYS   5          2HG       LYS   5   5.483  -7.683   2.028
   32   2HG   LYS   5          3HG       LYS   5   4.521  -8.429   3.287
   33   1HD   LYS   5          2HD       LYS   5   5.535 -10.262   2.147
   34   2HD   LYS   5          3HD       LYS   5   3.886 -10.237   1.557
   35   1HE   LYS   5          2HE       LYS   5   4.501  -9.539  -0.571
   36   2HE   LYS   5          3HE       LYS   5   5.845  -8.577   0.011
   37   1HZ   LYS   5          1HZ       LYS   5   7.207 -10.288  -0.221
   38   2HZ   LYS   5          2HZ       LYS   5   6.194 -11.357   0.484
   39   3HZ   LYS   5          3HZ       LYS   5   6.039 -11.011  -1.104
   40    H    ILE   6           HN       ILE   6   4.615  -6.704  -0.686
   41    HA   ILE   6           HA       ILE   6   3.458  -4.453  -2.069
   42    HB   ILE   6           HB       ILE   6   5.435  -6.602  -2.785
   43   1HG1  ILE   6          2HG1      ILE   6   6.775  -4.399  -3.229
   44   2HG1  ILE   6          3HG1      ILE   6   5.555  -3.651  -2.218
   45   1HG2  ILE   6          1HG2      ILE   6   5.594  -4.979  -4.916
   46   2HG2  ILE   6          2HG2      ILE   6   4.586  -6.447  -4.878
   47   3HG2  ILE   6          3HG2      ILE   6   3.848  -4.853  -4.587
   48   1HD1  ILE   6          1HD1      ILE   6   6.447  -4.533  -0.326
   49   2HD1  ILE   6          2HD1      ILE   6   6.512  -6.163  -1.038
   50   3HD1  ILE   6          3HD1      ILE   6   7.840  -5.014  -1.324
   51    H    TYR   7           HN       TYR   7   1.323  -5.784  -1.175
   52    HA   TYR   7           HA       TYR   7   0.530  -7.703  -3.221
   53   1HB   TYR   7          2HB       TYR   7  -0.611  -6.596  -0.585
   54   2HB   TYR   7          3HB       TYR   7  -1.510  -7.733  -1.572
   55    HD1  TYR   7           HD1      TYR   7   0.679  -9.585  -2.426
   56    HD2  TYR   7           HD2      TYR   7  -0.144  -7.802   1.375
   57    HE1  TYR   7           HE1      TYR   7   1.849 -11.517  -1.257
   58    HE2  TYR   7           HE2      TYR   7   1.028  -9.739   2.530
   59    HH   TYR   7           HH       TYR   7   2.375 -11.464   2.226
   60    H    ASP   8           HN       ASP   8  -1.615  -7.485  -4.273
   61    HA   ASP   8           HA       ASP   8  -1.942  -4.768  -5.112
   62   1HB   ASP   8          2HB       ASP   8  -3.264  -5.664  -6.889
   63   2HB   ASP   8          3HB       ASP   8  -1.978  -6.829  -6.644
   64    H    THR   9           HN       THR   9  -2.644  -5.189  -2.359
   65    HA   THR   9           HA       THR   9  -5.489  -5.624  -2.187
   66    HB   THR   9           HB       THR   9  -3.875  -6.372  -0.423
   67    HG1  THR   9           1HG      THR   9  -5.097  -5.022   1.296
   68   1HG2  THR   9          1HG2      THR   9  -3.627  -3.505   0.493
   69   2HG2  THR   9          2HG2      THR   9  -2.561  -4.889   0.832
   70   3HG2  THR   9          3HG2      THR   9  -2.490  -4.078  -0.751
   71    H    CYS  10           HN       CYS  10  -6.394  -4.051  -3.583
   72    HA   CYS  10           HA       CYS  10  -6.608  -1.494  -2.262
   73   1HB   CYS  10          2HB       CYS  10  -4.680  -1.503  -4.072
   74   2HB   CYS  10          3HB       CYS  10  -6.013  -1.386  -5.205
   75    H    ILE  11           HN       ILE  11  -8.769  -0.932  -2.299
   76    HA   ILE  11           HA       ILE  11 -10.447  -2.387  -4.213
   77    HB   ILE  11           HB       ILE  11 -12.256  -2.053  -2.655
   78   1HG1  ILE  11          2HG1      ILE  11 -11.399  -1.167  -0.281
   79   2HG1  ILE  11          3HG1      ILE  11 -10.302  -0.250  -1.295
   80   1HG2  ILE  11          1HG2      ILE  11 -11.383  -4.054  -2.079
   81   2HG2  ILE  11          2HG2      ILE  11  -9.742  -3.403  -1.851
   82   3HG2  ILE  11          3HG2      ILE  11 -10.968  -3.188  -0.580
   83   1HD1  ILE  11          1HD1      ILE  11 -12.521   0.276  -2.687
   84   2HD1  ILE  11          2HD1      ILE  11 -13.308  -0.116  -1.140
   85   3HD1  ILE  11          3HD1      ILE  11 -12.120   1.206  -1.223
   86    H    GLY  12           HN       GLY  12  -9.187   0.734  -3.275
   87   1HA   GLY  12          1HA       GLY  12  -9.356   2.386  -5.079
   88   2HA   GLY  12          2HA       GLY  12 -11.067   2.019  -5.166
   89    H    CYS  13           HN       CYS  13  -9.085   2.283  -2.165
   90    HA   CYS  13           HA       CYS  13 -10.857   4.466  -1.369
   91   1HB   CYS  13          2HB       CYS  13 -10.939   3.577   0.688
   92   2HB   CYS  13          3HB       CYS  13 -10.289   2.124  -0.044
   93    H    THR  14           HN       THR  14  -9.650   6.081   0.209
   94    HA   THR  14           HA       THR  14  -7.006   6.641  -0.968
   95    HB   THR  14           HB       THR  14  -8.802   8.261  -1.599
   96    HG1  THR  14           1HG      THR  14  -6.432   8.725  -0.744
   97   1HG2  THR  14          1HG2      THR  14  -9.294   8.153   1.347
   98   2HG2  THR  14          2HG2      THR  14  -9.228   9.792   0.656
   99   3HG2  THR  14          3HG2      THR  14 -10.404   8.610   0.034
  100    H    GLN  15           HN       GLN  15  -6.813   4.816   0.953
  101    HA   GLN  15           HA       GLN  15  -5.895   6.436   3.190
  102   1HB   GLN  15          2HB       GLN  15  -7.009   5.202   4.762
  103   2HB   GLN  15          3HB       GLN  15  -8.098   4.862   3.432
  104   1HG   GLN  15          2HG       GLN  15  -6.702   2.803   2.898
  105   2HG   GLN  15          3HG       GLN  15  -5.762   3.120   4.342
  106   1HE2  GLN  15          1HE2      GLN  15  -6.633   0.862   4.666
  107   2HE2  GLN  15          2HE2      GLN  15  -8.111   0.693   5.551
  108    H    CYS  16           HN       CYS  16  -3.985   5.604   4.284
  109    HA   CYS  16           HA       CYS  16  -2.218   4.251   4.557
  110   1HB   CYS  16          2HB       CYS  16  -2.050   2.165   3.677
  111   2HB   CYS  16          3HB       CYS  16  -3.739   2.436   3.296
  112    H    VAL  17           HN       VAL  17  -3.100   5.147   1.154
  113    HA   VAL  17           HA       VAL  17  -0.455   5.585   0.314
  114    HB   VAL  17           HB       VAL  17  -1.571   6.816  -1.542
  115   1HG1  VAL  17          1HG1      VAL  17  -1.262   4.263  -1.361
  116   2HG1  VAL  17          2HG1      VAL  17  -3.011   4.209  -1.036
  117   3HG1  VAL  17          3HG1      VAL  17  -2.412   4.880  -2.571
  118   1HG2  VAL  17          1HG2      VAL  17  -4.167   6.068  -0.162
  119   2HG2  VAL  17          2HG2      VAL  17  -3.459   7.701  -0.132
  120   3HG2  VAL  17          3HG2      VAL  17  -3.960   6.977  -1.678
  121    H    ARG  18           HN       ARG  18  -2.519   7.296   2.484
  122    HA   ARG  18           HA       ARG  18  -1.122   9.773   1.958
  123   1HB   ARG  18          2HB       ARG  18  -3.760   9.056   2.963
  124   2HB   ARG  18          3HB       ARG  18  -2.951  10.057   4.153
  125   1HG   ARG  18          2HG       ARG  18  -3.961  11.671   2.774
  126   2HG   ARG  18          3HG       ARG  18  -2.338  11.603   2.116
  127   1HD   ARG  18          2HD       ARG  18  -4.026   9.567   0.858
  128   2HD   ARG  18          3HD       ARG  18  -4.775  11.146   0.722
  129    HE   ARG  18           HE       ARG  18  -1.892  10.908   0.008
  130   1HH1  ARG  18          1HH1      ARG  18  -2.562  12.081  -3.209
  131   2HH1  ARG  18          2HH1      ARG  18  -1.324  11.645  -2.079
  132   1HH2  ARG  18          1HH2      ARG  18  -4.797  11.916  -2.603
  133   2HH2  ARG  18          2HH2      ARG  18  -5.226  11.357  -1.021
  134    H    ALA  19           HN       ALA  19  -2.169   7.816   4.856
  135    HA   ALA  19           HA       ALA  19  -0.395   9.008   6.634
  136   1HB   ALA  19          1HB       ALA  19  -1.485   7.664   8.078
  137   2HB   ALA  19          2HB       ALA  19  -2.430   7.091   6.683
  138   3HB   ALA  19          3HB       ALA  19  -0.982   6.196   7.204
  139    H    CYS  20           HN       CYS  20   1.634   9.222   5.476
  140    HA   CYS  20           HA       CYS  20   3.439   7.208   6.098
  141   1HB   CYS  20          2HB       CYS  20   2.360   5.972   4.238
  142   2HB   CYS  20          3HB       CYS  20   2.757   7.278   3.140
  143    HA   PRO  21           HA       PRO  21   5.140  11.280   5.337
  144   1HB   PRO  21          2HB       PRO  21   6.843  11.316   7.474
  145   2HB   PRO  21          3HB       PRO  21   5.196  11.911   7.551
  146   1HG   PRO  21          2HG       PRO  21   6.309   9.395   8.631
  147   2HG   PRO  21          3HG       PRO  21   4.810  10.201   9.050
  148   1HD   PRO  21          2HD       PRO  21   5.106   7.877   7.394
  149   2HD   PRO  21          3HD       PRO  21   3.622   8.752   7.718
  150    H    LEU  22           HN       LEU  22   6.627   8.212   5.698
  151    HA   LEU  22           HA       LEU  22   9.141   9.168   4.668
  152   1HB   LEU  22          2HB       LEU  22   8.040   6.544   5.595
  153   2HB   LEU  22          3HB       LEU  22   9.489   6.571   4.611
  154    HG   LEU  22           HG       LEU  22   9.477   8.403   6.948
  155   1HD1  LEU  22          1HD1      LEU  22   8.417   6.010   7.512
  156   2HD1  LEU  22          2HD1      LEU  22  10.142   5.582   7.610
  157   3HD1  LEU  22          3HD1      LEU  22   9.489   6.886   8.632
  158   1HD2  LEU  22          1HD2      LEU  22  11.579   6.438   6.025
  159   2HD2  LEU  22          2HD2      LEU  22  11.386   8.064   5.329
  160   3HD2  LEU  22          3HD2      LEU  22  11.786   7.876   7.053
  161    H    ASP  23           HN       ASP  23   6.218   8.995   3.275
  162    HA   ASP  23           HA       ASP  23   5.406   8.475   1.306
  163   1HB   ASP  23          2HB       ASP  23   8.050   9.811   0.845
  164   2HB   ASP  23          3HB       ASP  23   7.310   9.084  -0.567
  165    H    VAL  24           HN       VAL  24   5.358   6.095   1.576
  166    HA   VAL  24           HA       VAL  24   7.455   4.757   0.011
  167    HB   VAL  24           HB       VAL  24   6.026   3.801   2.498
  168   1HG1  VAL  24          1HG1      VAL  24   7.394   2.341   0.353
  169   2HG1  VAL  24          2HG1      VAL  24   8.057   2.002   1.970
  170   3HG1  VAL  24          3HG1      VAL  24   6.325   1.746   1.645
  171   1HG2  VAL  24          1HG2      VAL  24   7.792   4.490   3.683
  172   2HG2  VAL  24          2HG2      VAL  24   8.936   3.749   2.538
  173   3HG2  VAL  24          3HG2      VAL  24   8.312   5.389   2.238
  174    H    LEU  25           HN       LEU  25   4.059   4.497   1.276
  175    HA   LEU  25           HA       LEU  25   3.298   2.629  -0.695
  176   1HB   LEU  25          2HB       LEU  25   1.680   4.454   1.088
  177   2HB   LEU  25          3HB       LEU  25   0.999   3.194   0.078
  178    HG   LEU  25           HG       LEU  25   3.011   1.931   1.601
  179   1HD1  LEU  25          1HD1      LEU  25   3.265   3.399   3.317
  180   2HD1  LEU  25          2HD1      LEU  25   1.644   4.104   3.111
  181   3HD1  LEU  25          3HD1      LEU  25   1.833   2.529   3.918
  182   1HD2  LEU  25          1HD2      LEU  25   1.326   0.490   1.377
  183   2HD2  LEU  25          2HD2      LEU  25   0.613   1.272   2.809
  184   3HD2  LEU  25          3HD2      LEU  25   0.125   1.789   1.177
  185    H    GLU  26           HN       GLU  26   3.993   3.415  -2.736
  186    HA   GLU  26           HA       GLU  26   2.478   5.753  -3.604
  187   1HB   GLU  26          2HB       GLU  26   5.075   4.791  -4.860
  188   2HB   GLU  26          3HB       GLU  26   4.275   6.332  -5.103
  189   1HG   GLU  26          2HG       GLU  26   4.590   6.533  -2.443
  190   2HG   GLU  26          3HG       GLU  26   5.874   5.375  -2.728
  191    H    MET  27           HN       MET  27   2.064   5.717  -6.091
  192    HA   MET  27           HA       MET  27   0.560   3.487  -6.656
  193   1HB   MET  27          2HB       MET  27   1.819   5.565  -8.533
  194   2HB   MET  27          3HB       MET  27   0.524   4.483  -9.002
  195   1HG   MET  27          2HG       MET  27  -0.890   6.130  -8.289
  196   2HG   MET  27          3HG       MET  27  -0.502   5.588  -6.668
  197   1HE   MET  27          1HE       MET  27  -0.269   9.346  -6.000
  198   2HE   MET  27          2HE       MET  27  -1.503   8.297  -6.738
  199   3HE   MET  27          3HE       MET  27  -0.631   7.758  -5.283
  200    H    VAL  28           HN       VAL  28   0.929   1.540  -7.706
  201    HA   VAL  28           HA       VAL  28   3.607   1.189  -8.860
  202    HB   VAL  28           HB       VAL  28   3.838  -0.910  -7.839
  203   1HG1  VAL  28          1HG1      VAL  28   4.484   0.063  -5.940
  204   2HG1  VAL  28          2HG1      VAL  28   3.387   1.428  -6.253
  205   3HG1  VAL  28          3HG1      VAL  28   2.808   0.012  -5.343
  206   1HG2  VAL  28          1HG2      VAL  28   1.441  -1.109  -6.218
  207   2HG2  VAL  28          2HG2      VAL  28   1.035  -1.027  -7.949
  208   3HG2  VAL  28          3HG2      VAL  28   2.147  -2.284  -7.354
  209    HA   PRO  29           HA       PRO  29   1.529  -0.579 -12.210
  210   1HB   PRO  29          2HB       PRO  29   3.187  -2.581 -13.055
  211   2HB   PRO  29          3HB       PRO  29   3.473  -0.889 -13.406
  212   1HG   PRO  29          2HG       PRO  29   4.843  -2.634 -11.452
  213   2HG   PRO  29          3HG       PRO  29   5.373  -1.102 -12.117
  214   1HD   PRO  29          2HD       PRO  29   4.276  -1.553  -9.506
  215   2HD   PRO  29          3HD       PRO  29   4.698  -0.006 -10.211
  216    H    TRP  30           HN       TRP  30  -0.433  -1.447 -12.028
  217    HA   TRP  30           HA       TRP  30  -0.424  -4.187 -10.958
  218   1HB   TRP  30          2HB       TRP  30  -1.357  -2.633  -9.330
  219   2HB   TRP  30          3HB       TRP  30  -2.482  -2.016 -10.524
  220    HD1  TRP  30           HD1      TRP  30  -4.844  -2.982 -10.000
  221    HE1  TRP  30           HE1      TRP  30  -5.934  -5.260  -9.234
  222    HE3  TRP  30           HE3      TRP  30  -0.463  -5.517  -9.507
  223    HZ2  TRP  30           HZ2      TRP  30  -4.865  -7.810  -8.523
  224    HZ3  TRP  30           HZ3      TRP  30  -0.575  -7.896  -8.773
  225    HH2  TRP  30           HH2      TRP  30  -2.678  -9.043  -8.287
  226    H    ASP  31           HN       ASP  31  -3.528  -3.182 -11.808
  227    HA   ASP  31           HA       ASP  31  -3.594  -3.062 -14.497
  228   1HB   ASP  31          2HB       ASP  31  -2.594  -5.575 -13.846
  229   2HB   ASP  31          3HB       ASP  31  -4.306  -5.908 -14.009
  230    H    GLY  32           HN       GLY  32  -4.932  -4.986 -11.718
  231   1HA   GLY  32          1HA       GLY  32  -7.606  -5.049 -12.504
  232   2HA   GLY  32          2HA       GLY  32  -7.001  -5.167 -10.863
  233    H    CYS  33           HN       CYS  33  -5.629  -2.347 -11.605
  234    HA   CYS  33           HA       CYS  33  -7.772  -0.854 -10.422
  235   1HB   CYS  33          2HB       CYS  33  -4.900  -0.614 -10.618
  236   2HB   CYS  33          3HB       CYS  33  -5.648   0.881 -11.141
  237    HG   CYS  33           HG       CYS  33  -4.926   0.367  -8.403
  238    H    LYS  34           HN       LYS  34  -8.525   1.243 -11.426
  239    HA   LYS  34           HA       LYS  34  -9.376   0.833 -14.051
  240   1HB   LYS  34          2HB       LYS  34  -9.787   2.726 -11.926
  241   2HB   LYS  34          3HB       LYS  34  -9.521   3.600 -13.420
  242   1HG   LYS  34          2HG       LYS  34 -11.851   3.186 -13.448
  243   2HG   LYS  34          3HG       LYS  34 -11.213   1.937 -14.497
  244   1HD   LYS  34          2HD       LYS  34 -11.207   1.045 -11.705
  245   2HD   LYS  34          3HD       LYS  34 -12.809   1.569 -12.182
  246   1HE   LYS  34          2HE       LYS  34 -11.564  -0.029 -14.304
  247   2HE   LYS  34          3HE       LYS  34 -11.581  -0.912 -12.790
  248   1HZ   LYS  34          1HZ       LYS  34 -13.874  -0.726 -12.656
  249   2HZ   LYS  34          2HZ       LYS  34 -13.969   0.472 -13.762
  250   3HZ   LYS  34          3HZ       LYS  34 -13.615  -1.050 -14.235
  251    H    ALA  35           HN       ALA  35  -6.434   2.208 -12.682
  252    HA   ALA  35           HA       ALA  35  -5.674   3.102 -15.378
  253   1HB   ALA  35          1HB       ALA  35  -3.838   4.242 -13.726
  254   2HB   ALA  35          2HB       ALA  35  -5.370   5.024 -14.182
  255   3HB   ALA  35          3HB       ALA  35  -5.238   4.163 -12.630
  256    H    GLY  36           HN       GLY  36  -5.619   0.369 -13.738
  257   1HA   GLY  36          1HA       GLY  36  -4.264  -1.419 -13.643
  258   2HA   GLY  36          2HA       GLY  36  -3.380  -0.714 -14.982
  259    H    GLN  37           HN       GLN  37  -3.770   0.926 -11.823
  260    HA   GLN  37           HA       GLN  37  -1.053   0.172 -11.153
  261   1HB   GLN  37          2HB       GLN  37  -0.519   2.560 -10.590
  262   2HB   GLN  37          3HB       GLN  37  -0.769   2.292 -12.304
  263   1HG   GLN  37          2HG       GLN  37  -2.399   3.864 -12.308
  264   2HG   GLN  37          3HG       GLN  37  -3.344   2.881 -11.208
  265   1HE2  GLN  37          1HE2      GLN  37  -3.594   3.465  -9.150
  266   2HE2  GLN  37          2HE2      GLN  37  -2.865   4.839  -8.390
  267    H    ILE  38           HN       ILE  38  -1.035  -0.584  -9.083
  268    HA   ILE  38           HA       ILE  38  -3.209   0.317  -7.336
  269    HB   ILE  38           HB       ILE  38  -2.714  -2.171  -8.038
  270   1HG1  ILE  38          2HG1      ILE  38  -3.247  -2.224  -5.192
  271   2HG1  ILE  38          3HG1      ILE  38  -4.090  -0.884  -5.942
  272   1HG2  ILE  38          1HG2      ILE  38  -0.823  -1.752  -5.709
  273   2HG2  ILE  38          2HG2      ILE  38  -1.352  -3.334  -6.330
  274   3HG2  ILE  38          3HG2      ILE  38  -0.396  -2.245  -7.364
  275   1HD1  ILE  38          1HD1      ILE  38  -5.429  -2.255  -7.239
  276   2HD1  ILE  38          2HD1      ILE  38  -4.168  -3.500  -7.410
  277   3HD1  ILE  38          3HD1      ILE  38  -5.107  -3.385  -5.903
  278    H    ALA  39           HN       ALA  39  -2.777   1.232  -5.325
  279    HA   ALA  39           HA       ALA  39  -0.189   2.411  -5.077
  280   1HB   ALA  39          1HB       ALA  39  -2.873   2.761  -4.030
  281   2HB   ALA  39          2HB       ALA  39  -1.684   2.787  -2.705
  282   3HB   ALA  39          3HB       ALA  39  -1.520   3.918  -4.071
  283    H    SER  40           HN       SER  40   1.563   1.546  -4.090
  284    HA   SER  40           HA       SER  40   1.402   0.197  -1.686
  285   1HB   SER  40          2HB       SER  40   1.490  -1.549  -4.157
  286   2HB   SER  40          3HB       SER  40   2.314  -2.071  -2.701
  287    HG   SER  40           HG       SER  40  -0.173  -1.202  -2.001
  288    H    SER  41           HN       SER  41   3.695  -1.077  -1.352
  289    HA   SER  41           HA       SER  41   5.623   0.872  -1.812
  290   1HB   SER  41          2HB       SER  41   5.973  -2.051  -1.006
  291   2HB   SER  41          3HB       SER  41   7.202  -0.810  -0.849
  292    HG   SER  41           HG       SER  41   5.235  -1.429   0.895
  293    HA   PRO  42           HA       PRO  42   6.747  -0.447  -5.850
  294   1HB   PRO  42          2HB       PRO  42   8.562   1.525  -6.381
  295   2HB   PRO  42          3HB       PRO  42   6.838   1.717  -6.632
  296   1HG   PRO  42          2HG       PRO  42   8.531   2.825  -4.478
  297   2HG   PRO  42          3HG       PRO  42   6.934   3.331  -4.988
  298   1HD   PRO  42          2HD       PRO  42   7.580   1.781  -2.664
  299   2HD   PRO  42          3HD       PRO  42   5.976   2.189  -3.238
  300    H    ARG  43           HN       ARG  43   9.353   0.607  -3.710
  301    HA   ARG  43           HA       ARG  43  10.598  -1.932  -4.290
  302   1HB   ARG  43          2HB       ARG  43  11.961   0.787  -4.611
  303   2HB   ARG  43          3HB       ARG  43  12.848  -0.722  -4.527
  304   1HG   ARG  43          2HG       ARG  43  11.547  -1.568  -6.514
  305   2HG   ARG  43          3HG       ARG  43  10.730  -0.020  -6.615
  306   1HD   ARG  43          2HD       ARG  43  13.021   1.087  -6.850
  307   2HD   ARG  43          3HD       ARG  43  13.728  -0.514  -6.937
  308    HE   ARG  43           HE       ARG  43  12.892  -0.753  -9.119
  309   1HH1  ARG  43          1HH1      ARG  43  10.863   1.379 -10.993
  310   2HH1  ARG  43          2HH1      ARG  43  11.871  -0.028 -11.031
  311   1HH2  ARG  43          1HH2      ARG  43  10.547   2.528  -9.001
  312   2HH2  ARG  43          2HH2      ARG  43  11.322   1.978  -7.552
  313    H    THR  44           HN       THR  44   9.228  -0.165  -2.036
  314    HA   THR  44           HA       THR  44   9.570   0.387   0.115
  315    HB   THR  44           HB       THR  44  10.986  -2.327  -0.011
  316    HG1  THR  44           1HG      THR  44   8.674  -2.948   0.415
  317   1HG2  THR  44          1HG2      THR  44   9.186  -1.886   2.231
  318   2HG2  THR  44          2HG2      THR  44  10.913  -2.312   2.272
  319   3HG2  THR  44          3HG2      THR  44  10.420  -0.603   2.211
  320    H    GLU  45           HN       GLU  45  11.706   1.284  -1.844
  321    HA   GLU  45           HA       GLU  45  14.192   1.053  -0.767
  322   1HB   GLU  45          2HB       GLU  45  14.685   3.209  -1.934
  323   2HB   GLU  45          3HB       GLU  45  13.804   2.081  -2.943
  324   1HG   GLU  45          2HG       GLU  45  11.741   3.274  -2.684
  325   2HG   GLU  45          3HG       GLU  45  12.326   4.164  -1.293
  326    H    ASP  46           HN       ASP  46  11.433   3.044   0.282
  327    HA   ASP  46           HA       ASP  46  13.150   4.327   2.233
  328   1HB   ASP  46          2HB       ASP  46  10.846   5.135   0.722
  329   2HB   ASP  46          3HB       ASP  46  10.360   5.118   2.405
  330    H    CYS  47           HN       CYS  47  11.028   4.845   4.176
  331    HA   CYS  47           HA       CYS  47   9.833   3.937   5.796
  332   1HB   CYS  47          2HB       CYS  47   8.714   2.523   4.070
  333   2HB   CYS  47          3HB       CYS  47   9.934   1.290   4.313
  334    H    VAL  48           HN       VAL  48  10.589   3.302   7.836
  335    HA   VAL  48           HA       VAL  48  12.778   1.406   7.965
  336    HB   VAL  48           HB       VAL  48  13.897   3.534   7.608
  337   1HG1  VAL  48          1HG1      VAL  48  13.656   5.428   9.060
  338   2HG1  VAL  48          2HG1      VAL  48  12.029   4.957   8.513
  339   3HG1  VAL  48          3HG1      VAL  48  12.576   4.527  10.151
  340   1HG2  VAL  48          1HG2      VAL  48  14.208   1.862   9.955
  341   2HG2  VAL  48          2HG2      VAL  48  15.448   2.613   8.923
  342   3HG2  VAL  48          3HG2      VAL  48  14.753   3.524  10.286
  343    H    GLY  49           HN       GLY  49  10.093   1.033   8.659
  344   1HA   GLY  49          1HA       GLY  49   8.929   0.170  10.386
  345   2HA   GLY  49          2HA       GLY  49  10.342   0.345  11.406
  346    H    CYS  50           HN       CYS  50   7.641   2.223   9.898
  347    HA   CYS  50           HA       CYS  50   7.703   3.915  12.287
  348   1HB   CYS  50          2HB       CYS  50   7.986   5.767  11.082
  349   2HB   CYS  50          3HB       CYS  50   8.254   4.775   9.663
  350    H    LYS  51           HN       LYS  51   5.825   3.575  13.421
  351    HA   LYS  51           HA       LYS  51   3.651   2.201  12.191
  352   1HB   LYS  51          2HB       LYS  51   4.295   1.767  14.503
  353   2HB   LYS  51          3HB       LYS  51   3.979   3.434  14.942
  354   1HG   LYS  51          2HG       LYS  51   1.566   3.037  14.049
  355   2HG   LYS  51          3HG       LYS  51   1.965   1.331  14.053
  356   1HD   LYS  51          2HD       LYS  51   2.175   1.240  16.404
  357   2HD   LYS  51          3HD       LYS  51   2.506   2.954  16.548
  358   1HE   LYS  51          2HE       LYS  51   0.287   3.487  16.693
  359   2HE   LYS  51          3HE       LYS  51  -0.144   2.440  15.356
  360   1HZ   LYS  51          1HZ       LYS  51  -1.086   1.679  17.418
  361   2HZ   LYS  51          2HZ       LYS  51  -0.028   0.570  16.854
  362   3HZ   LYS  51          3HZ       LYS  51   0.391   1.538  18.101
  363    H    ARG  52           HN       ARG  52   3.340   3.795  10.399
  364    HA   ARG  52           HA       ARG  52   1.424   5.750  11.309
  365   1HB   ARG  52          2HB       ARG  52   3.811   6.771  10.889
  366   2HB   ARG  52          3HB       ARG  52   3.475   6.512   9.189
  367   1HG   ARG  52          2HG       ARG  52   2.681   8.698   9.477
  368   2HG   ARG  52          3HG       ARG  52   1.208   7.773   9.693
  369   1HD   ARG  52          2HD       ARG  52   2.157   7.773  12.275
  370   2HD   ARG  52          3HD       ARG  52   2.802   9.303  11.712
  371    HE   ARG  52           HE       ARG  52   0.136   9.285  10.843
  372   1HH1  ARG  52          1HH1      ARG  52  -1.435  10.448  13.734
  373   2HH1  ARG  52          2HH1      ARG  52  -1.578  10.234  12.020
  374   1HH2  ARG  52          1HH2      ARG  52   0.493   9.771  14.833
  375   2HH2  ARG  52          2HH2      ARG  52   1.792   9.051  13.940
  376    H    CYS  53           HN       CYS  53   0.771   3.291  10.218
  377    HA   CYS  53           HA       CYS  53  -0.696   4.027   7.957
  378   1HB   CYS  53          2HB       CYS  53   0.325   2.741   6.201
  379   2HB   CYS  53          3HB       CYS  53   1.517   3.863   6.828
  380    H    GLU  54           HN       GLU  54  -1.740   3.105  10.165
  381    HA   GLU  54           HA       GLU  54  -1.656   0.234  10.229
  382   1HB   GLU  54          2HB       GLU  54  -2.440   2.401  12.047
  383   2HB   GLU  54          3HB       GLU  54  -3.641   1.126  12.020
  384   1HG   GLU  54          2HG       GLU  54  -1.801  -0.565  12.412
  385   2HG   GLU  54          3HG       GLU  54  -0.651   0.754  12.533
  386    H    THR  55           HN       THR  55  -2.784   1.751   7.864
  387    HA   THR  55           HA       THR  55  -5.524   0.670   7.994
  388    HB   THR  55           HB       THR  55  -6.246   2.553   6.713
  389    HG1  THR  55           1HG      THR  55  -4.491   3.880   5.689
  390   1HG2  THR  55          1HG2      THR  55  -5.231   3.174   9.087
  391   2HG2  THR  55          2HG2      THR  55  -3.917   3.894   8.127
  392   3HG2  THR  55          3HG2      THR  55  -5.587   4.479   7.930
  393    H    ALA  56           HN       ALA  56  -3.564  -1.146   7.478
  394    HA   ALA  56           HA       ALA  56  -2.884  -1.281   4.740
  395   1HB   ALA  56          1HB       ALA  56  -1.462  -2.550   6.028
  396   2HB   ALA  56          2HB       ALA  56  -2.745  -3.038   7.161
  397   3HB   ALA  56          3HB       ALA  56  -2.619  -3.822   5.569
  398    H    CYS  57           HN       CYS  57  -5.339  -0.581   4.289
  399    HA   CYS  57           HA       CYS  57  -7.240  -1.108   3.331
  400   1HB   CYS  57          2HB       CYS  57  -5.421  -3.104   2.414
  401   2HB   CYS  57          3HB       CYS  57  -6.958  -3.897   2.697
  402    HA   PRO  58           HA       PRO  58  -9.746  -3.267   6.181
  403   1HB   PRO  58          2HB       PRO  58 -11.717  -4.483   4.730
  404   2HB   PRO  58          3HB       PRO  58 -11.716  -2.769   5.096
  405   1HG   PRO  58          2HG       PRO  58 -11.091  -4.120   2.542
  406   2HG   PRO  58          3HG       PRO  58 -11.506  -2.441   2.822
  407   1HD   PRO  58          2HD       PRO  58  -8.891  -3.497   2.305
  408   2HD   PRO  58          3HD       PRO  58  -9.292  -1.837   2.700
  409    H    THR  59           HN       THR  59  -7.770  -4.978   4.242
  410    HA   THR  59           HA       THR  59  -6.749  -6.934   4.705
  411    HB   THR  59           HB       THR  59  -8.926  -7.764   6.646
  412    HG1  THR  59           1HG      THR  59  -7.755  -6.316   8.162
  413   1HG2  THR  59          1HG2      THR  59  -6.654  -9.033   6.108
  414   2HG2  THR  59          2HG2      THR  59  -5.923  -7.742   7.090
  415   3HG2  THR  59          3HG2      THR  59  -7.147  -8.818   7.804
  416    H    ASP  60           HN       ASP  60 -10.042  -6.474   3.764
  417    HA   ASP  60           HA       ASP  60 -10.900  -8.957   3.194
  418   1HB   ASP  60          2HB       ASP  60 -11.547  -6.300   2.436
  419   2HB   ASP  60          3HB       ASP  60 -11.362  -7.159   0.919
  420    H    PHE  61           HN       PHE  61  -8.278  -7.086   1.722
  421    HA   PHE  61           HA       PHE  61  -8.111  -8.911  -0.538
  422   1HB   PHE  61          2HB       PHE  61  -7.326  -6.155   0.213
  423   2HB   PHE  61          3HB       PHE  61  -5.962  -7.020  -0.467
  424    HD1  PHE  61           1HD      PHE  61  -8.555  -4.909  -1.271
  425    HD2  PHE  61           2HD      PHE  61  -6.692  -8.455  -2.670
  426    HE1  PHE  61           1HE      PHE  61  -9.419  -4.449  -3.583
  427    HE2  PHE  61           2HE      PHE  61  -7.556  -7.996  -4.982
  428    HZ   PHE  61           HZ       PHE  61  -8.909  -5.999  -5.410
  429    H    LEU  62           HN       LEU  62  -5.600  -7.372   1.584
  430    HA   LEU  62           HA       LEU  62  -4.004  -9.753   1.355
  431   1HB   LEU  62          2HB       LEU  62  -2.287  -8.428   1.839
  432   2HB   LEU  62          3HB       LEU  62  -3.410  -7.131   1.480
  433    HG   LEU  62           HG       LEU  62  -3.084  -8.185   4.289
  434   1HD1  LEU  62          1HD1      LEU  62  -1.590  -5.968   4.399
  435   2HD1  LEU  62          2HD1      LEU  62  -0.909  -7.580   4.080
  436   3HD1  LEU  62          3HD1      LEU  62  -1.226  -6.464   2.729
  437   1HD2  LEU  62          1HD2      LEU  62  -3.584  -5.401   4.187
  438   2HD2  LEU  62          2HD2      LEU  62  -4.698  -6.174   3.036
  439   3HD2  LEU  62          3HD2      LEU  62  -4.668  -6.701   4.736
  440    H    SER  63           HN       SER  63  -3.772 -11.367   2.846
  441    HA   SER  63           HA       SER  63  -5.703 -11.585   4.826
  442   1HB   SER  63          2HB       SER  63  -3.581 -13.192   3.698
  443   2HB   SER  63          3HB       SER  63  -3.484 -13.301   5.445
  444    HG   SER  63           HG       SER  63  -5.207 -14.559   5.435
  445    H    ILE  64           HN       ILE  64  -2.162 -11.856   5.524
  446    HA   ILE  64           HA       ILE  64  -1.986  -9.589   7.138
  447    HB   ILE  64           HB       ILE  64  -3.646 -11.014   8.447
  448   1HG1  ILE  64          2HG1      ILE  64  -1.542 -10.556  10.392
  449   2HG1  ILE  64          3HG1      ILE  64  -1.599  -9.249   9.226
  450   1HG2  ILE  64          1HG2      ILE  64  -3.039 -12.944   9.487
  451   2HG2  ILE  64          2HG2      ILE  64  -2.014 -13.077   8.038
  452   3HG2  ILE  64          3HG2      ILE  64  -1.317 -12.498   9.571
  453   1HD1  ILE  64          1HD1      ILE  64  -3.216  -8.497  10.711
  454   2HD1  ILE  64          2HD1      ILE  64  -4.249  -9.467   9.635
  455   3HD1  ILE  64          3HD1      ILE  64  -3.696 -10.144  11.184
  456    H    ARG  65           HN       ARG  65   0.167  -9.213   7.673
  457    HA   ARG  65           HA       ARG  65   1.940 -11.478   7.317
  458   1HB   ARG  65          2HB       ARG  65   1.817  -8.993   5.673
  459   2HB   ARG  65          3HB       ARG  65   3.427  -9.389   6.241
  460   1HG   ARG  65          2HG       ARG  65   2.046 -11.788   5.269
  461   2HG   ARG  65          3HG       ARG  65   2.069 -10.541   4.037
  462   1HD   ARG  65          2HD       ARG  65   4.196 -11.215   3.574
  463   2HD   ARG  65          3HD       ARG  65   4.670 -10.426   5.065
  464    HE   ARG  65           HE       ARG  65   3.837 -12.858   5.995
  465   1HH1  ARG  65          1HH1      ARG  65   6.410 -15.024   5.064
  466   2HH1  ARG  65          2HH1      ARG  65   5.084 -14.766   6.147
  467   1HH2  ARG  65          1HH2      ARG  65   6.922 -13.429   3.457
  468   2HH2  ARG  65          2HH2      ARG  65   5.976 -11.982   3.341
  469    H    VAL  66           HN       VAL  66   4.391 -10.397   7.817
  470    HA   VAL  66           HA       VAL  66   4.017  -8.830  10.275
  471    HB   VAL  66           HB       VAL  66   4.477 -11.066  10.926
  472   1HG1  VAL  66          1HG1      VAL  66   6.868 -11.047   9.052
  473   2HG1  VAL  66          2HG1      VAL  66   6.348 -12.386  10.103
  474   3HG1  VAL  66          3HG1      VAL  66   5.324 -11.876   8.741
  475   1HG2  VAL  66          1HG2      VAL  66   5.652  -9.538  12.302
  476   2HG2  VAL  66          2HG2      VAL  66   6.818 -10.827  11.921
  477   3HG2  VAL  66          3HG2      VAL  66   6.908  -9.266  11.070
  478    H    TYR  67           HN       TYR  67   4.342  -6.928   8.892
  479    HA   TYR  67           HA       TYR  67   7.178  -6.639   8.154
  480   1HB   TYR  67          2HB       TYR  67   4.517  -6.017   6.859
  481   2HB   TYR  67          3HB       TYR  67   5.731  -4.766   6.685
  482    HD1  TYR  67           HD1      TYR  67   5.661  -8.521   6.441
  483    HD2  TYR  67           HD2      TYR  67   6.876  -4.817   4.678
  484    HE1  TYR  67           HE1      TYR  67   6.689  -9.780   4.487
  485    HE2  TYR  67           HE2      TYR  67   7.901  -6.089   2.730
  486    HH   TYR  67           HH       TYR  67   7.160  -9.073   1.939
  487    H    LEU  68           HN       LEU  68   4.168  -4.750   8.944
  488    HA   LEU  68           HA       LEU  68   5.223  -2.367   9.542
  489   1HB   LEU  68          2HB       LEU  68   2.899  -3.914  10.390
  490   2HB   LEU  68          3HB       LEU  68   3.410  -2.755  11.602
  491    HG   LEU  68           HG       LEU  68   1.679  -1.866  10.093
  492   1HD1  LEU  68          1HD1      LEU  68   4.393  -0.545  10.085
  493   2HD1  LEU  68          2HD1      LEU  68   2.945   0.241   9.412
  494   3HD1  LEU  68          3HD1      LEU  68   2.992  -0.216  11.132
  495   1HD2  LEU  68          1HD2      LEU  68   3.770  -2.150   7.916
  496   2HD2  LEU  68          2HD2      LEU  68   2.269  -3.095   8.064
  497   3HD2  LEU  68          3HD2      LEU  68   2.192  -1.343   7.758
  498    H    GLY  69           HN       GLY  69   7.310  -2.266  10.360
  499   1HA   GLY  69          1HA       GLY  69   9.025  -2.679  11.812
  500   2HA   GLY  69          2HA       GLY  69   7.880  -1.947  12.918
  501    H    ALA  70           HN       ALA  70   8.824  -5.136  11.479
  502    HA   ALA  70           HA       ALA  70   8.388  -6.324  14.106
  503   1HB   ALA  70          1HB       ALA  70   7.320  -8.303  12.762
  504   2HB   ALA  70          2HB       ALA  70   6.316  -6.891  13.171
  505   3HB   ALA  70          3HB       ALA  70   6.987  -7.060  11.532
  506    H    GLU  71           HN       GLU  71   9.241  -7.158  10.665
  507    HA   GLU  71           HA       GLU  71  10.905  -9.184  11.127
  508   1HB   GLU  71          2HB       GLU  71  10.608  -7.139   9.031
  509   2HB   GLU  71          3HB       GLU  71  12.246  -7.755   9.121
  510   1HG   GLU  71          2HG       GLU  71  11.639  -9.882   8.447
  511   2HG   GLU  71          3HG       GLU  71  10.106  -9.832   9.293
  512    H    THR  72           HN       THR  72  12.207  -5.821  10.623
  513    HA   THR  72           HA       THR  72  14.249  -5.031  11.206
  514    HB   THR  72           HB       THR  72  14.262  -4.627  13.687
  515    HG1  THR  72           1HG      THR  72  12.300  -5.777  14.709
  516   1HG2  THR  72          1HG2      THR  72  12.513  -3.464  12.129
  517   2HG2  THR  72          2HG2      THR  72  11.354  -4.653  12.770
  518   3HG2  THR  72          3HG2      THR  72  12.148  -3.503  13.870
  519    H    THR  73           HN       THR  73  15.075  -7.162  10.067
  520    HA   THR  73           HA       THR  73  17.176  -8.110  11.796
  521    HB   THR  73           HB       THR  73  15.257  -9.653  12.315
  522    HG1  THR  73           1HG      THR  73  16.583 -11.577  11.341
  523   1HG2  THR  73          1HG2      THR  73  14.349 -11.117  10.633
  524   2HG2  THR  73          2HG2      THR  73  14.261  -9.492   9.912
  525   3HG2  THR  73          3HG2      THR  73  15.562 -10.609   9.432
  526    H    ARG  74           HN       ARG  74  15.464  -8.319   8.631
  527    HA   ARG  74           HA       ARG  74  18.016  -8.881   7.413
  528   1HB   ARG  74          2HB       ARG  74  16.691  -9.276   5.349
  529   2HB   ARG  74          3HB       ARG  74  16.031 -10.196   6.687
  530   1HG   ARG  74          2HG       ARG  74  14.786  -7.581   6.681
  531   2HG   ARG  74          3HG       ARG  74  14.701  -8.234   5.058
  532   1HD   ARG  74          2HD       ARG  74  13.881  -9.831   7.527
  533   2HD   ARG  74          3HD       ARG  74  12.752  -8.859   6.607
  534    HE   ARG  74           HE       ARG  74  13.793 -11.449   5.848
  535   1HH1  ARG  74          1HH1      ARG  74  12.579 -11.314   2.579
  536   2HH1  ARG  74          2HH1      ARG  74  13.216 -12.337   3.823
  537   1HH2  ARG  74          1HH2      ARG  74  12.312  -9.042   2.968
  538   2HH2  ARG  74          2HH2      ARG  74  12.749  -8.369   4.503
  539    H    SER  75           HN       SER  75  15.721  -6.281   7.987
  540    HA   SER  75           HA       SER  75  17.174  -4.639   6.063
  541   1HB   SER  75          2HB       SER  75  14.362  -4.991   6.513
  542   2HB   SER  75          3HB       SER  75  14.758  -3.360   7.016
  543    HG   SER  75           HG       SER  75  15.010  -4.570   4.432
  544    H    MET  76           HN       MET  76  16.884  -5.420   9.332
  545    HA   MET  76           HA       MET  76  17.123  -4.318  11.238
  546   1HB   MET  76          2HB       MET  76  19.440  -3.690   9.408
  547   2HB   MET  76          3HB       MET  76  19.395  -2.811  10.924
  548   1HG   MET  76          2HG       MET  76  18.851  -5.369  11.808
  549   2HG   MET  76          3HG       MET  76  19.878  -5.717  10.431
  550   1HE   MET  76          1HE       MET  76  20.599  -6.574  13.161
  551   2HE   MET  76          2HE       MET  76  21.780  -5.609  14.078
  552   3HE   MET  76          3HE       MET  76  20.049  -5.199  14.149
  553    H    GLY  77           HN       GLY  77  18.713  -1.598   9.577
  554   1HA   GLY  77          1HA       GLY  77  16.344   0.093  10.026
  555   2HA   GLY  77          2HA       GLY  77  17.876   0.525  10.760
  556    H    LEU  78           HN       LEU  78  19.681  -0.307   8.678
  557    HA   LEU  78           HA       LEU  78  18.938   1.643   6.612
  558   1HB   LEU  78          2HB       LEU  78  20.766   2.587   7.567
  559   2HB   LEU  78          3HB       LEU  78  21.453   1.055   8.067
  560    HG   LEU  78           HG       LEU  78  22.722   2.350   6.300
  561   1HD1  LEU  78          1HD1      LEU  78  23.707   0.383   6.043
  562   2HD1  LEU  78          2HD1      LEU  78  22.224  -0.455   6.562
  563   3HD1  LEU  78          3HD1      LEU  78  22.474  -0.072   4.842
  564   1HD2  LEU  78          1HD2      LEU  78  21.534   1.464   3.955
  565   2HD2  LEU  78          2HD2      LEU  78  20.167   2.057   4.928
  566   3HD2  LEU  78          3HD2      LEU  78  21.544   3.130   4.579
  567    H    ALA  79           HN       ALA  79  20.379  -1.579   7.308
  568    HA   ALA  79           HA       ALA  79  21.214  -2.456   4.952
  569   1HB   ALA  79          1HB       ALA  79  19.829  -3.635   7.270
  570   2HB   ALA  79          2HB       ALA  79  19.638  -4.581   5.774
  571   3HB   ALA  79          3HB       ALA  79  21.266  -4.205   6.387
  572    H    TYR  80           HN       TYR  80  17.840  -1.664   5.796
  573    HA   TYR  80           HA       TYR  80  16.595  -2.896   3.625
  574   1HB   TYR  80          2HB       TYR  80  14.756  -1.651   4.487
  575   2HB   TYR  80          3HB       TYR  80  15.837  -1.581   5.866
  576    HD1  TYR  80           HD1      TYR  80  13.949   0.329   3.521
  577    HD2  TYR  80           HD2      TYR  80  17.419   0.486   6.021
  578    HE1  TYR  80           HE1      TYR  80  13.903   2.870   3.438
  579    HE2  TYR  80           HE2      TYR  80  17.361   3.026   5.928
  580    HH   TYR  80           HH       TYR  80  15.498   4.705   3.687
  Start of MODEL   11
    1    H    SER   1           HN       SER   1  -5.660  -6.950  10.593
    2    HA   SER   1           HA       SER   1  -5.736  -7.401   7.724
    3   1HB   SER   1          2HB       SER   1  -6.076  -4.748   9.169
    4   2HB   SER   1          3HB       SER   1  -5.520  -4.820   7.509
    5    HG   SER   1           HG       SER   1  -7.774  -4.583   7.459
    6    H    HIS   2           HN       HIS   2  -4.136  -4.644   9.323
    7    HA   HIS   2           HA       HIS   2  -2.013  -4.064   9.407
    8   1HB   HIS   2          2HB       HIS   2  -2.046  -6.814  10.597
    9   2HB   HIS   2          3HB       HIS   2  -0.504  -6.012  10.378
   10    HD1  HIS   2           HD1      HIS   2  -0.591  -6.199  13.129
   11    HD2  HIS   2           HD2      HIS   2  -3.139  -3.409  11.307
   12    HE1  HIS   2           HE1      HIS   2  -1.292  -4.568  14.962
   13    H    SER   3           HN       SER   3   0.449  -5.120   8.869
   14    HA   SER   3           HA       SER   3   1.821  -5.659   7.277
   15   1HB   SER   3          2HB       SER   3   1.140  -7.890   7.131
   16   2HB   SER   3          3HB       SER   3  -0.482  -7.478   6.613
   17    HG   SER   3           HG       SER   3   0.373  -6.889   4.521
   18    H    VAL   4           HN       VAL   4   2.219  -5.451   4.779
   19    HA   VAL   4           HA       VAL   4   0.289  -4.171   3.195
   20    HB   VAL   4           HB       VAL   4   0.651  -2.357   4.819
   21   1HG1  VAL   4          1HG1      VAL   4   3.499  -2.884   4.140
   22   2HG1  VAL   4          2HG1      VAL   4   3.026  -1.178   4.329
   23   3HG1  VAL   4          3HG1      VAL   4   2.763  -2.328   5.662
   24   1HG2  VAL   4          1HG2      VAL   4   0.432  -2.161   2.126
   25   2HG2  VAL   4          2HG2      VAL   4   0.451  -0.760   3.223
   26   3HG2  VAL   4          3HG2      VAL   4   1.941  -1.254   2.384
   27    H    LYS   5           HN       LYS   5   2.020  -6.399   2.961
   28    HA   LYS   5           HA       LYS   5   4.467  -5.891   1.799
   29   1HB   LYS   5          2HB       LYS   5   2.593  -8.122   2.018
   30   2HB   LYS   5          3HB       LYS   5   3.477  -8.151   0.504
   31   1HG   LYS   5          2HG       LYS   5   4.890  -7.699   3.163
   32   2HG   LYS   5          3HG       LYS   5   4.571  -9.312   2.558
   33   1HD   LYS   5          2HD       LYS   5   5.923  -7.288   0.754
   34   2HD   LYS   5          3HD       LYS   5   6.864  -8.106   1.985
   35   1HE   LYS   5          2HE       LYS   5   6.060 -10.325   1.064
   36   2HE   LYS   5          3HE       LYS   5   5.234  -9.461  -0.218
   37   1HZ   LYS   5          1HZ       LYS   5   7.219  -9.859  -1.185
   38   2HZ   LYS   5          2HZ       LYS   5   7.588  -8.420  -0.504
   39   3HZ   LYS   5          3HZ       LYS   5   8.077  -9.808   0.203
   40    H    ILE   6           HN       ILE   6   4.600  -6.877  -0.762
   41    HA   ILE   6           HA       ILE   6   3.457  -4.656  -2.218
   42    HB   ILE   6           HB       ILE   6   5.225  -6.834  -3.304
   43   1HG1  ILE   6          2HG1      ILE   6   6.445  -6.173  -1.406
   44   2HG1  ILE   6          3HG1      ILE   6   7.133  -5.261  -2.735
   45   1HG2  ILE   6          1HG2      ILE   6   5.032  -3.912  -4.065
   46   2HG2  ILE   6          2HG2      ILE   6   5.863  -5.224  -4.935
   47   3HG2  ILE   6          3HG2      ILE   6   4.085  -5.202  -4.844
   48   1HD1  ILE   6          1HD1      ILE   6   5.167  -4.258  -0.633
   49   2HD1  ILE   6          2HD1      ILE   6   6.839  -3.713  -0.906
   50   3HD1  ILE   6          3HD1      ILE   6   5.573  -3.334  -2.098
   51    H    TYR   7           HN       TYR   7   1.348  -6.083  -1.329
   52    HA   TYR   7           HA       TYR   7   0.650  -7.994  -3.422
   53   1HB   TYR   7          2HB       TYR   7  -0.433  -7.046  -0.710
   54   2HB   TYR   7          3HB       TYR   7  -1.429  -8.047  -1.748
   55    HD1  TYR   7           HD1      TYR   7   0.535  -9.973  -2.841
   56    HD2  TYR   7           HD2      TYR   7   0.129  -8.395   1.114
   57    HE1  TYR   7           HE1      TYR   7   1.642 -12.055  -1.889
   58    HE2  TYR   7           HE2      TYR   7   1.236 -10.482   2.053
   59    HH   TYR   7           HH       TYR   7   1.786 -12.597   1.570
   60    H    ASP   8           HN       ASP   8  -1.580  -7.854  -4.383
   61    HA   ASP   8           HA       ASP   8  -1.976  -5.158  -5.246
   62   1HB   ASP   8          2HB       ASP   8  -3.376  -6.099  -6.941
   63   2HB   ASP   8          3HB       ASP   8  -2.064  -7.244  -6.738
   64    H    THR   9           HN       THR   9  -2.548  -5.365  -2.498
   65    HA   THR   9           HA       THR   9  -5.387  -5.857  -2.180
   66    HB   THR   9           HB       THR   9  -3.903  -6.631  -0.413
   67    HG1  THR   9           1HG      THR   9  -4.980  -4.007   0.329
   68   1HG2  THR   9          1HG2      THR   9  -2.474  -4.153  -0.991
   69   2HG2  THR   9          2HG2      THR   9  -2.942  -4.190   0.726
   70   3HG2  THR   9          3HG2      THR   9  -1.964  -5.510   0.042
   71    H    CYS  10           HN       CYS  10  -6.520  -4.341  -3.363
   72    HA   CYS  10           HA       CYS  10  -6.675  -1.787  -2.122
   73   1HB   CYS  10          2HB       CYS  10  -4.692  -1.622  -3.776
   74   2HB   CYS  10          3HB       CYS  10  -5.902  -1.699  -5.042
   75    H    ILE  11           HN       ILE  11  -8.583  -0.572  -3.037
   76    HA   ILE  11           HA       ILE  11 -10.307  -2.314  -4.649
   77    HB   ILE  11           HB       ILE  11 -12.204  -1.684  -3.275
   78   1HG1  ILE  11          2HG1      ILE  11 -11.323  -0.708  -0.900
   79   2HG1  ILE  11          3HG1      ILE  11 -10.215   0.101  -1.989
   80   1HG2  ILE  11          1HG2      ILE  11 -10.955  -3.749  -2.785
   81   2HG2  ILE  11          2HG2      ILE  11  -9.956  -2.856  -1.613
   82   3HG2  ILE  11          3HG2      ILE  11 -11.704  -3.047  -1.330
   83   1HD1  ILE  11          1HD1      ILE  11 -12.741   0.294  -3.258
   84   2HD1  ILE  11          2HD1      ILE  11 -13.047   0.621  -1.535
   85   3HD1  ILE  11          3HD1      ILE  11 -11.857   1.597  -2.429
   86    H    GLY  12           HN       GLY  12  -9.423   0.980  -3.512
   87   1HA   GLY  12          1HA       GLY  12  -9.208   2.402  -5.655
   88   2HA   GLY  12          2HA       GLY  12 -10.936   2.127  -5.760
   89    H    CYS  13           HN       CYS  13  -8.962   2.558  -2.764
   90    HA   CYS  13           HA       CYS  13 -10.482   5.022  -2.302
   91   1HB   CYS  13          2HB       CYS  13 -11.125   4.324  -0.275
   92   2HB   CYS  13          3HB       CYS  13 -10.665   2.715  -0.797
   93    H    THR  14           HN       THR  14  -9.144   6.229  -0.314
   94    HA   THR  14           HA       THR  14  -6.283   6.054  -0.919
   95    HB   THR  14           HB       THR  14  -6.231   8.533  -1.195
   96    HG1  THR  14           1HG      THR  14  -8.597   9.368  -1.436
   97   1HG2  THR  14          1HG2      THR  14  -6.878   6.971  -3.210
   98   2HG2  THR  14          2HG2      THR  14  -8.535   7.557  -2.932
   99   3HG2  THR  14          3HG2      THR  14  -7.244   8.707  -3.353
  100    H    GLN  15           HN       GLN  15  -6.230   4.905   1.127
  101    HA   GLN  15           HA       GLN  15  -6.434   6.816   3.321
  102   1HB   GLN  15          2HB       GLN  15  -7.124   4.991   4.812
  103   2HB   GLN  15          3HB       GLN  15  -8.240   5.120   3.467
  104   1HG   GLN  15          2HG       GLN  15  -7.034   3.262   2.294
  105   2HG   GLN  15          3HG       GLN  15  -5.928   3.130   3.646
  106   1HE2  GLN  15          1HE2      GLN  15  -6.513   1.021   4.058
  107   2HE2  GLN  15          2HE2      GLN  15  -8.013   0.570   4.796
  108    H    CYS  16           HN       CYS  16  -4.870   3.818   2.036
  109    HA   CYS  16           HA       CYS  16  -2.747   4.024   3.948
  110   1HB   CYS  16          2HB       CYS  16  -1.881   2.019   2.963
  111   2HB   CYS  16          3HB       CYS  16  -3.618   1.834   3.114
  112    H    VAL  17           HN       VAL  17  -3.548   6.060   1.610
  113    HA   VAL  17           HA       VAL  17  -0.820   6.273   0.534
  114    HB   VAL  17           HB       VAL  17  -3.401   7.258  -0.694
  115   1HG1  VAL  17          1HG1      VAL  17  -1.667   8.604  -1.531
  116   2HG1  VAL  17          2HG1      VAL  17  -0.518   7.247  -1.596
  117   3HG1  VAL  17          3HG1      VAL  17  -1.861   7.332  -2.761
  118   1HG2  VAL  17          1HG2      VAL  17  -3.672   5.315  -1.817
  119   2HG2  VAL  17          2HG2      VAL  17  -1.922   5.060  -2.012
  120   3HG2  VAL  17          3HG2      VAL  17  -2.720   4.627  -0.480
  121    H    ARG  18           HN       ARG  18  -2.308   7.279   3.102
  122    HA   ARG  18           HA       ARG  18  -1.591  10.064   2.641
  123   1HB   ARG  18          2HB       ARG  18  -4.058   8.881   3.740
  124   2HB   ARG  18          3HB       ARG  18  -3.342  10.018   4.866
  125   1HG   ARG  18          2HG       ARG  18  -4.743  11.379   3.517
  126   2HG   ARG  18          3HG       ARG  18  -3.146  11.648   2.851
  127   1HD   ARG  18          2HD       ARG  18  -4.043   9.408   1.423
  128   2HD   ARG  18          3HD       ARG  18  -5.502  10.360   1.609
  129    HE   ARG  18           HE       ARG  18  -3.102  11.108   0.075
  130   1HH1  ARG  18          1HH1      ARG  18  -4.568  14.075  -1.032
  131   2HH1  ARG  18          2HH1      ARG  18  -3.242  12.979  -1.231
  132   1HH2  ARG  18          1HH2      ARG  18  -6.202  13.644   0.559
  133   2HH2  ARG  18          2HH2      ARG  18  -6.095  12.226   1.548
  134    H    ALA  19           HN       ALA  19  -1.979   7.397   5.071
  135    HA   ALA  19           HA       ALA  19  -0.458   8.707   7.066
  136   1HB   ALA  19          1HB       ALA  19  -1.526   5.923   6.589
  137   2HB   ALA  19          2HB       ALA  19  -0.399   6.230   7.932
  138   3HB   ALA  19          3HB       ALA  19  -1.955   7.093   7.861
  139    H    CYS  20           HN       CYS  20   1.380   9.436   5.695
  140    HA   CYS  20           HA       CYS  20   3.599   7.828   6.090
  141   1HB   CYS  20          2HB       CYS  20   2.577   6.472   4.233
  142   2HB   CYS  20          3HB       CYS  20   2.768   7.853   3.172
  143    HA   PRO  21           HA       PRO  21   4.635  12.074   5.427
  144   1HB   PRO  21          2HB       PRO  21   6.964  12.074   6.856
  145   2HB   PRO  21          3HB       PRO  21   5.394  12.355   7.583
  146   1HG   PRO  21          2HG       PRO  21   7.086   9.934   7.704
  147   2HG   PRO  21          3HG       PRO  21   5.749  10.393   8.742
  148   1HD   PRO  21          2HD       PRO  21   5.699   8.440   6.641
  149   2HD   PRO  21          3HD       PRO  21   4.337   8.984   7.601
  150    H    LEU  22           HN       LEU  22   7.613  10.194   5.584
  151    HA   LEU  22           HA       LEU  22   8.950  11.503   3.644
  152   1HB   LEU  22          2HB       LEU  22   9.971   9.130   3.211
  153   2HB   LEU  22          3HB       LEU  22  10.250   9.998   4.708
  154    HG   LEU  22           HG       LEU  22   7.901   8.176   4.677
  155   1HD1  LEU  22          1HD1      LEU  22   9.278   6.681   3.523
  156   2HD1  LEU  22          2HD1      LEU  22  10.739   7.200   4.396
  157   3HD1  LEU  22          3HD1      LEU  22   9.496   6.241   5.234
  158   1HD2  LEU  22          1HD2      LEU  22   9.764   7.833   6.849
  159   2HD2  LEU  22          2HD2      LEU  22   9.432   9.563   6.588
  160   3HD2  LEU  22          3HD2      LEU  22   8.088   8.431   6.872
  161    H    ASP  23           HN       ASP  23   7.747   8.236   2.746
  162    HA   ASP  23           HA       ASP  23   5.850   8.766   0.990
  163   1HB   ASP  23          2HB       ASP  23   7.223   8.812  -1.242
  164   2HB   ASP  23          3HB       ASP  23   6.988  10.312  -0.367
  165    H    VAL  24           HN       VAL  24   5.305   6.567   1.265
  166    HA   VAL  24           HA       VAL  24   7.269   4.635   0.245
  167    HB   VAL  24           HB       VAL  24   5.512   4.490   2.695
  168   1HG1  VAL  24          1HG1      VAL  24   6.616   2.311   0.993
  169   2HG1  VAL  24          2HG1      VAL  24   6.800   2.124   2.754
  170   3HG1  VAL  24          3HG1      VAL  24   5.181   2.334   2.046
  171   1HG2  VAL  24          1HG2      VAL  24   8.460   3.871   2.532
  172   2HG2  VAL  24          2HG2      VAL  24   7.883   5.548   2.688
  173   3HG2  VAL  24          3HG2      VAL  24   7.481   4.349   3.941
  174    H    LEU  25           HN       LEU  25   3.802   4.675   1.342
  175    HA   LEU  25           HA       LEU  25   2.964   2.852  -0.574
  176   1HB   LEU  25          2HB       LEU  25   1.453   4.985   0.938
  177   2HB   LEU  25          3HB       LEU  25   0.690   3.743  -0.036
  178    HG   LEU  25           HG       LEU  25   2.527   2.528   1.838
  179   1HD1  LEU  25          1HD1      LEU  25   2.158   3.525   3.790
  180   2HD1  LEU  25          2HD1      LEU  25   1.430   4.871   2.881
  181   3HD1  LEU  25          3HD1      LEU  25   0.400   3.567   3.517
  182   1HD2  LEU  25          1HD2      LEU  25   0.885   1.150   0.954
  183   2HD2  LEU  25          2HD2      LEU  25   0.273   1.493   2.590
  184   3HD2  LEU  25          3HD2      LEU  25  -0.404   2.356   1.189
  185    H    GLU  26           HN       GLU  26   3.457   3.149  -2.709
  186    HA   GLU  26           HA       GLU  26   2.486   5.657  -3.837
  187   1HB   GLU  26          2HB       GLU  26   4.964   4.103  -4.706
  188   2HB   GLU  26          3HB       GLU  26   4.347   5.541  -5.494
  189   1HG   GLU  26          2HG       GLU  26   4.670   5.945  -2.594
  190   2HG   GLU  26          3HG       GLU  26   6.174   5.460  -3.351
  191    H    MET  27           HN       MET  27   2.805   5.046  -6.566
  192    HA   MET  27           HA       MET  27   0.787   2.993  -6.802
  193   1HB   MET  27          2HB       MET  27   0.531   3.942  -9.116
  194   2HB   MET  27          3HB       MET  27   0.409   5.196  -7.898
  195   1HG   MET  27          2HG       MET  27   2.137   6.310  -8.858
  196   2HG   MET  27          3HG       MET  27   3.197   4.947  -8.555
  197   1HE   MET  27          1HE       MET  27   4.590   5.509 -10.896
  198   2HE   MET  27          2HE       MET  27   3.684   5.993 -12.349
  199   3HE   MET  27          3HE       MET  27   3.513   6.926 -10.843
  200    H    VAL  28           HN       VAL  28   1.065   1.049  -7.916
  201    HA   VAL  28           HA       VAL  28   3.709   0.651  -9.130
  202    HB   VAL  28           HB       VAL  28   4.052  -1.306  -8.018
  203   1HG1  VAL  28          1HG1      VAL  28   3.793  -0.935  -5.702
  204   2HG1  VAL  28          2HG1      VAL  28   3.826   0.691  -6.424
  205   3HG1  VAL  28          3HG1      VAL  28   2.277  -0.030  -5.926
  206   1HG2  VAL  28          1HG2      VAL  28   1.867  -2.288  -6.711
  207   2HG2  VAL  28          2HG2      VAL  28   1.109  -1.565  -8.150
  208   3HG2  VAL  28          3HG2      VAL  28   2.382  -2.794  -8.337
  209    HA   PRO  29           HA       PRO  29   1.563  -1.142 -12.432
  210   1HB   PRO  29          2HB       PRO  29   2.980  -3.373 -13.126
  211   2HB   PRO  29          3HB       PRO  29   3.482  -1.749 -13.551
  212   1HG   PRO  29          2HG       PRO  29   4.578  -3.543 -11.473
  213   2HG   PRO  29          3HG       PRO  29   5.309  -2.124 -12.195
  214   1HD   PRO  29          2HD       PRO  29   4.102  -2.300  -9.600
  215   2HD   PRO  29          3HD       PRO  29   4.729  -0.855 -10.368
  216    H    TRP  30           HN       TRP  30  -0.499  -1.742 -12.244
  217    HA   TRP  30           HA       TRP  30  -0.855  -4.486 -11.284
  218   1HB   TRP  30          2HB       TRP  30  -1.283  -3.027  -9.384
  219   2HB   TRP  30          3HB       TRP  30  -2.409  -2.074 -10.330
  220    HD1  TRP  30           HD1      TRP  30  -4.875  -2.729  -9.810
  221    HE1  TRP  30           HE1      TRP  30  -6.253  -4.850  -9.060
  222    HE3  TRP  30           HE3      TRP  30  -0.909  -5.907  -9.677
  223    HZ2  TRP  30           HZ2      TRP  30  -5.546  -7.559  -8.508
  224    HZ3  TRP  30           HZ3      TRP  30  -1.339  -8.275  -9.021
  225    HH2  TRP  30           HH2      TRP  30  -3.562  -9.115  -8.449
  226    H    ASP  31           HN       ASP  31  -3.340  -5.067 -11.794
  227    HA   ASP  31           HA       ASP  31  -4.130  -3.728 -14.236
  228   1HB   ASP  31          2HB       ASP  31  -2.709  -5.956 -14.544
  229   2HB   ASP  31          3HB       ASP  31  -4.200  -6.755 -14.087
  230    H    GLY  32           HN       GLY  32  -5.535  -3.093 -12.111
  231   1HA   GLY  32          1HA       GLY  32  -8.007  -4.603 -12.319
  232   2HA   GLY  32          2HA       GLY  32  -7.236  -4.640 -10.745
  233    H    CYS  33           HN       CYS  33  -6.018  -1.894 -11.103
  234    HA   CYS  33           HA       CYS  33  -8.250  -0.458 -10.087
  235   1HB   CYS  33          2HB       CYS  33  -5.480  -0.283  -9.819
  236   2HB   CYS  33          3HB       CYS  33  -5.897   1.158 -10.727
  237    HG   CYS  33           HG       CYS  33  -7.140   2.372  -9.065
  238    H    LYS  34           HN       LYS  34  -8.427   1.989 -11.047
  239    HA   LYS  34           HA       LYS  34  -9.444   1.661 -13.660
  240   1HB   LYS  34          2HB       LYS  34  -9.915   3.371 -11.588
  241   2HB   LYS  34          3HB       LYS  34  -8.977   4.404 -12.648
  242   1HG   LYS  34          2HG       LYS  34 -11.114   2.755 -13.959
  243   2HG   LYS  34          3HG       LYS  34 -11.668   4.045 -12.911
  244   1HD   LYS  34          2HD       LYS  34 -11.148   5.618 -14.460
  245   2HD   LYS  34          3HD       LYS  34  -9.498   5.039 -14.571
  246   1HE   LYS  34          2HE       LYS  34  -9.969   3.595 -16.366
  247   2HE   LYS  34          3HE       LYS  34 -11.657   3.419 -15.926
  248   1HZ   LYS  34          1HZ       LYS  34 -12.143   5.077 -17.264
  249   2HZ   LYS  34          2HZ       LYS  34 -11.124   6.099 -16.500
  250   3HZ   LYS  34          3HZ       LYS  34 -10.583   5.182 -17.738
  251    H    ALA  35           HN       ALA  35  -6.330   2.633 -12.302
  252    HA   ALA  35           HA       ALA  35  -5.447   3.297 -15.028
  253   1HB   ALA  35          1HB       ALA  35  -3.536   4.273 -13.247
  254   2HB   ALA  35          2HB       ALA  35  -4.798   5.230 -14.059
  255   3HB   ALA  35          3HB       ALA  35  -5.079   4.593 -12.421
  256    H    GLY  36           HN       GLY  36  -5.787   0.598 -13.782
  257   1HA   GLY  36          1HA       GLY  36  -4.604  -1.280 -13.317
  258   2HA   GLY  36          2HA       GLY  36  -3.681  -0.768 -14.716
  259    H    GLN  37           HN       GLN  37  -3.943   0.508 -11.318
  260    HA   GLN  37           HA       GLN  37  -1.205  -0.237 -10.886
  261   1HB   GLN  37          2HB       GLN  37  -0.619   2.125 -10.134
  262   2HB   GLN  37          3HB       GLN  37  -0.795   1.913 -11.864
  263   1HG   GLN  37          2HG       GLN  37  -2.321   3.591 -11.849
  264   2HG   GLN  37          3HG       GLN  37  -3.406   2.528 -10.975
  265   1HE2  GLN  37          1HE2      GLN  37  -3.943   2.967  -8.949
  266   2HE2  GLN  37          2HE2      GLN  37  -3.268   4.217  -7.957
  267    H    ILE  38           HN       ILE  38  -1.091  -1.079  -8.849
  268    HA   ILE  38           HA       ILE  38  -3.241  -0.359  -7.008
  269    HB   ILE  38           HB       ILE  38  -2.460  -2.776  -7.787
  270   1HG1  ILE  38          2HG1      ILE  38  -3.092  -3.057  -5.013
  271   2HG1  ILE  38          3HG1      ILE  38  -3.970  -1.670  -5.626
  272   1HG2  ILE  38          1HG2      ILE  38  -0.841  -3.812  -6.519
  273   2HG2  ILE  38          2HG2      ILE  38  -0.140  -2.189  -6.733
  274   3HG2  ILE  38          3HG2      ILE  38  -0.945  -2.617  -5.204
  275   1HD1  ILE  38          1HD1      ILE  38  -4.873  -4.217  -5.887
  276   2HD1  ILE  38          2HD1      ILE  38  -5.260  -2.936  -7.061
  277   3HD1  ILE  38          3HD1      ILE  38  -3.942  -4.084  -7.398
  278    H    ALA  39           HN       ALA  39  -2.881   0.770  -5.141
  279    HA   ALA  39           HA       ALA  39  -0.409   2.111  -4.875
  280   1HB   ALA  39          1HB       ALA  39  -1.481   2.997  -2.798
  281   2HB   ALA  39          2HB       ALA  39  -2.527   3.134  -4.231
  282   3HB   ALA  39          3HB       ALA  39  -2.820   1.849  -3.036
  283    H    SER  40           HN       SER  40   1.386   0.857  -4.461
  284    HA   SER  40           HA       SER  40   1.236  -0.658  -1.984
  285   1HB   SER  40          2HB       SER  40   2.194  -1.597  -4.691
  286   2HB   SER  40          3HB       SER  40   2.973  -2.230  -3.255
  287    HG   SER  40           HG       SER  40   1.164  -3.551  -3.963
  288    H    SER  41           HN       SER  41   3.865  -1.460  -1.712
  289    HA   SER  41           HA       SER  41   5.305   1.065  -1.972
  290   1HB   SER  41          2HB       SER  41   6.590   0.019   0.118
  291   2HB   SER  41          3HB       SER  41   5.107   0.930   0.330
  292    HG   SER  41           HG       SER  41   4.963  -1.903  -0.104
  293    HA   PRO  42           HA       PRO  42   7.684  -2.003  -4.244
  294   1HB   PRO  42          2HB       PRO  42   8.439  -0.371  -6.301
  295   2HB   PRO  42          3HB       PRO  42   6.998  -1.366  -6.347
  296   1HG   PRO  42          2HG       PRO  42   7.223   1.554  -5.948
  297   2HG   PRO  42          3HG       PRO  42   5.819   0.616  -6.417
  298   1HD   PRO  42          2HD       PRO  42   6.357   1.721  -3.825
  299   2HD   PRO  42          3HD       PRO  42   5.013   0.686  -4.265
  300    H    ARG  43           HN       ARG  43   8.861   1.331  -4.385
  301    HA   ARG  43           HA       ARG  43  11.436   0.291  -3.647
  302   1HB   ARG  43          2HB       ARG  43  10.628   3.178  -4.256
  303   2HB   ARG  43          3HB       ARG  43  12.264   2.553  -4.195
  304   1HG   ARG  43          2HG       ARG  43  10.181   1.447  -6.126
  305   2HG   ARG  43          3HG       ARG  43  11.202   2.811  -6.539
  306   1HD   ARG  43          2HD       ARG  43  12.689   1.238  -7.278
  307   2HD   ARG  43          3HD       ARG  43  13.080   1.013  -5.585
  308    HE   ARG  43           HE       ARG  43  11.831  -1.001  -5.557
  309   1HH1  ARG  43          1HH1      ARG  43  10.330  -2.645  -8.245
  310   2HH1  ARG  43          2HH1      ARG  43  10.842  -2.781  -6.596
  311   1HH2  ARG  43          1HH2      ARG  43  10.647  -0.656  -9.398
  312   2HH2  ARG  43          2HH2      ARG  43  11.396   0.692  -8.612
  313    H    THR  44           HN       THR  44  10.879  -0.298  -1.402
  314    HA   THR  44           HA       THR  44  10.094   1.875   0.357
  315    HB   THR  44           HB       THR  44  10.680  -1.093   0.844
  316    HG1  THR  44           1HG      THR  44   8.727  -1.121  -0.208
  317   1HG2  THR  44          1HG2      THR  44   8.710   0.068   2.600
  318   2HG2  THR  44          2HG2      THR  44  10.280  -0.644   3.047
  319   3HG2  THR  44          3HG2      THR  44  10.164   1.092   2.674
  320    H    GLU  45           HN       GLU  45  12.792   1.687  -1.156
  321    HA   GLU  45           HA       GLU  45  14.803   1.100   0.566
  322   1HB   GLU  45          2HB       GLU  45  16.211   2.467  -0.831
  323   2HB   GLU  45          3HB       GLU  45  14.986   1.767  -1.872
  324   1HG   GLU  45          2HG       GLU  45  13.711   3.833  -1.916
  325   2HG   GLU  45          3HG       GLU  45  14.668   4.530  -0.623
  326    H    ASP  46           HN       ASP  46  12.565   3.841   0.587
  327    HA   ASP  46           HA       ASP  46  14.138   5.003   2.747
  328   1HB   ASP  46          2HB       ASP  46  12.258   6.148   0.677
  329   2HB   ASP  46          3HB       ASP  46  12.385   6.969   2.220
  330    H    CYS  47           HN       CYS  47  13.281   4.245   4.700
  331    HA   CYS  47           HA       CYS  47  10.910   4.963   5.703
  332   1HB   CYS  47          2HB       CYS  47   9.514   3.869   4.189
  333   2HB   CYS  47          3HB       CYS  47  10.559   2.469   4.058
  334    H    VAL  48           HN       VAL  48  12.332   5.033   7.522
  335    HA   VAL  48           HA       VAL  48  13.664   2.613   8.334
  336    HB   VAL  48           HB       VAL  48  14.681   4.860   8.497
  337   1HG1  VAL  48          1HG1      VAL  48  12.322   5.794   9.341
  338   2HG1  VAL  48          2HG1      VAL  48  13.071   5.499  10.928
  339   3HG1  VAL  48          3HG1      VAL  48  13.863   6.582   9.759
  340   1HG2  VAL  48          1HG2      VAL  48  15.766   3.344   9.867
  341   2HG2  VAL  48          2HG2      VAL  48  15.290   4.598  11.037
  342   3HG2  VAL  48          3HG2      VAL  48  14.343   3.097  10.906
  343    H    GLY  49           HN       GLY  49  11.082   1.886   8.178
  344   1HA   GLY  49          1HA       GLY  49   9.212   1.288   9.318
  345   2HA   GLY  49          2HA       GLY  49  10.391   0.744  10.495
  346    H    CYS  50           HN       CYS  50   8.562   3.694   9.452
  347    HA   CYS  50           HA       CYS  50   8.874   4.770  12.127
  348   1HB   CYS  50          2HB       CYS  50   8.535   6.823  11.234
  349   2HB   CYS  50          3HB       CYS  50   8.996   6.024   9.744
  350    H    LYS  51           HN       LYS  51   7.187   2.311  11.192
  351    HA   LYS  51           HA       LYS  51   5.271   1.380  11.770
  352   1HB   LYS  51          2HB       LYS  51   5.222   3.762  13.609
  353   2HB   LYS  51          3HB       LYS  51   3.841   2.687  13.523
  354   1HG   LYS  51          2HG       LYS  51   5.206   1.798  15.274
  355   2HG   LYS  51          3HG       LYS  51   5.480   0.737  13.906
  356   1HD   LYS  51          2HD       LYS  51   7.630   1.639  13.460
  357   2HD   LYS  51          3HD       LYS  51   7.294   3.129  14.321
  358   1HE   LYS  51          2HE       LYS  51   7.008   1.419  16.399
  359   2HE   LYS  51          3HE       LYS  51   8.076   0.437  15.418
  360   1HZ   LYS  51          1HZ       LYS  51   8.687   2.730  16.910
  361   2HZ   LYS  51          2HZ       LYS  51   9.705   1.685  16.176
  362   3HZ   LYS  51          3HZ       LYS  51   9.115   2.964  15.351
  363    H    ARG  52           HN       ARG  52   3.383   4.210  12.393
  364    HA   ARG  52           HA       ARG  52   1.563   4.859  11.359
  365   1HB   ARG  52          2HB       ARG  52   3.868   5.915  10.142
  366   2HB   ARG  52          3HB       ARG  52   2.887   5.431   8.773
  367   1HG   ARG  52          2HG       ARG  52   1.383   7.110   9.117
  368   2HG   ARG  52          3HG       ARG  52   1.267   6.769  10.833
  369   1HD   ARG  52          2HD       ARG  52   3.299   8.063  11.296
  370   2HD   ARG  52          3HD       ARG  52   3.627   8.256   9.586
  371    HE   ARG  52           HE       ARG  52   1.112   9.343   9.810
  372   1HH1  ARG  52          1HH1      ARG  52   1.743  12.458  11.251
  373   2HH1  ARG  52          2HH1      ARG  52   0.627  11.518  10.316
  374   1HH2  ARG  52          1HH2      ARG  52   3.728  11.508  11.989
  375   2HH2  ARG  52          2HH2      ARG  52   4.095   9.859  11.604
  376    H    CYS  53           HN       CYS  53   1.024   4.973   8.431
  377    HA   CYS  53           HA       CYS  53  -0.251   3.742   7.092
  378   1HB   CYS  53          2HB       CYS  53   1.046   1.878   5.957
  379   2HB   CYS  53          3HB       CYS  53   1.793   3.464   5.938
  380    H    GLU  54           HN       GLU  54  -1.296   3.278   9.503
  381    HA   GLU  54           HA       GLU  54  -1.300   0.386   9.839
  382   1HB   GLU  54          2HB       GLU  54  -2.175   0.813  12.104
  383   2HB   GLU  54          3HB       GLU  54  -0.674   1.680  11.849
  384   1HG   GLU  54          2HG       GLU  54  -1.690   3.674  12.225
  385   2HG   GLU  54          3HG       GLU  54  -2.885   3.354  10.984
  386    H    THR  55           HN       THR  55  -2.684   1.390   7.608
  387    HA   THR  55           HA       THR  55  -5.470   0.989   8.472
  388    HB   THR  55           HB       THR  55  -4.689   3.418   7.769
  389    HG1  THR  55           1HG      THR  55  -6.823   1.998   6.339
  390   1HG2  THR  55          1HG2      THR  55  -4.972   3.780   5.311
  391   2HG2  THR  55          2HG2      THR  55  -3.550   2.762   5.637
  392   3HG2  THR  55          3HG2      THR  55  -5.063   2.020   5.066
  393    H    ALA  56           HN       ALA  56  -3.146   0.855   5.698
  394    HA   ALA  56           HA       ALA  56  -3.166  -0.434   3.877
  395   1HB   ALA  56          1HB       ALA  56  -3.291  -2.901   4.452
  396   2HB   ALA  56          2HB       ALA  56  -2.162  -1.953   5.450
  397   3HB   ALA  56          3HB       ALA  56  -3.750  -2.420   6.104
  398    H    CYS  57           HN       CYS  57  -5.524  -2.662   5.303
  399    HA   CYS  57           HA       CYS  57  -7.754  -1.423   4.032
  400   1HB   CYS  57          2HB       CYS  57  -6.199  -3.139   2.409
  401   2HB   CYS  57          3HB       CYS  57  -7.614  -4.068   2.864
  402    HA   PRO  58           HA       PRO  58  -9.680  -3.973   6.993
  403   1HB   PRO  58          2HB       PRO  58 -12.166  -4.430   5.955
  404   2HB   PRO  58          3HB       PRO  58 -11.716  -2.929   6.741
  405   1HG   PRO  58          2HG       PRO  58 -12.068  -3.479   3.857
  406   2HG   PRO  58          3HG       PRO  58 -12.041  -1.935   4.685
  407   1HD   PRO  58          2HD       PRO  58  -9.925  -3.082   3.126
  408   2HD   PRO  58          3HD       PRO  58  -9.859  -1.593   4.048
  409    H    THR  59           HN       THR  59  -7.837  -5.451   5.758
  410    HA   THR  59           HA       THR  59  -7.280  -7.575   5.406
  411    HB   THR  59           HB       THR  59 -10.087  -8.155   6.490
  412    HG1  THR  59           1HG      THR  59  -8.262  -6.823   7.655
  413   1HG2  THR  59          1HG2      THR  59  -7.746  -9.860   5.760
  414   2HG2  THR  59          2HG2      THR  59  -8.370 -10.118   7.407
  415   3HG2  THR  59          3HG2      THR  59  -9.447 -10.324   6.003
  416    H    ASP  60           HN       ASP  60  -9.413  -5.866   3.613
  417    HA   ASP  60           HA       ASP  60 -10.847  -7.400   2.049
  418   1HB   ASP  60          2HB       ASP  60  -9.349  -4.938   1.727
  419   2HB   ASP  60          3HB       ASP  60  -9.254  -5.842   0.230
  420    H    PHE  61           HN       PHE  61  -7.292  -7.361   2.291
  421    HA   PHE  61           HA       PHE  61  -7.195  -9.738   0.629
  422   1HB   PHE  61          2HB       PHE  61  -5.695  -7.090   0.230
  423   2HB   PHE  61          3HB       PHE  61  -5.081  -8.585  -0.447
  424    HD1  PHE  61           1HD      PHE  61  -7.530  -5.941  -0.777
  425    HD2  PHE  61           2HD      PHE  61  -6.380  -9.768  -2.206
  426    HE1  PHE  61           1HE      PHE  61  -8.980  -5.621  -2.801
  427    HE2  PHE  61           2HE      PHE  61  -7.830  -9.448  -4.230
  428    HZ   PHE  61           HZ       PHE  61  -9.113  -7.379  -4.503
  429    H    LEU  62           HN       LEU  62  -5.432  -7.331   2.677
  430    HA   LEU  62           HA       LEU  62  -3.195  -8.793   3.241
  431   1HB   LEU  62          2HB       LEU  62  -4.704  -7.049   5.189
  432   2HB   LEU  62          3HB       LEU  62  -2.999  -7.451   5.232
  433    HG   LEU  62           HG       LEU  62  -3.229  -6.316   2.740
  434   1HD1  LEU  62          1HD1      LEU  62  -4.717  -4.310   4.327
  435   2HD1  LEU  62          2HD1      LEU  62  -4.790  -4.698   2.592
  436   3HD1  LEU  62          3HD1      LEU  62  -5.655  -5.715   3.768
  437   1HD2  LEU  62          1HD2      LEU  62  -1.548  -5.945   4.605
  438   2HD2  LEU  62          2HD2      LEU  62  -1.960  -4.526   3.611
  439   3HD2  LEU  62          3HD2      LEU  62  -2.664  -4.710   5.236
  440    H    SER  63           HN       SER  63  -2.828  -9.572   5.753
  441    HA   SER  63           HA       SER  63  -3.421 -10.931   7.396
  442   1HB   SER  63          2HB       SER  63  -5.597 -11.631   7.803
  443   2HB   SER  63          3HB       SER  63  -5.908 -10.268   6.747
  444    HG   SER  63           HG       SER  63  -6.969 -12.480   6.294
  445    H    ILE  64           HN       ILE  64  -2.024 -11.456   4.789
  446    HA   ILE  64           HA       ILE  64  -2.453 -14.359   4.648
  447    HB   ILE  64           HB       ILE  64  -3.015 -13.203   2.586
  448   1HG1  ILE  64          2HG1      ILE  64  -0.411 -14.676   2.158
  449   2HG1  ILE  64          3HG1      ILE  64  -1.866 -15.497   2.686
  450   1HG2  ILE  64          1HG2      ILE  64  -1.070 -12.177   1.274
  451   2HG2  ILE  64          2HG2      ILE  64  -1.771 -11.217   2.600
  452   3HG2  ILE  64          3HG2      ILE  64  -0.229 -12.073   2.839
  453   1HD1  ILE  64          1HD1      ILE  64  -3.082 -14.792   0.690
  454   2HD1  ILE  64          2HD1      ILE  64  -1.733 -13.743   0.192
  455   3HD1  ILE  64          3HD1      ILE  64  -1.537 -15.512   0.180
  456    H    ARG  65           HN       ARG  65  -0.138 -11.655   4.982
  457    HA   ARG  65           HA       ARG  65   1.873 -13.668   5.595
  458   1HB   ARG  65          2HB       ARG  65   2.554 -12.301   3.678
  459   2HB   ARG  65          3HB       ARG  65   2.166 -10.819   4.529
  460   1HG   ARG  65          2HG       ARG  65   4.119 -10.840   5.751
  461   2HG   ARG  65          3HG       ARG  65   4.095 -12.580   5.961
  462   1HD   ARG  65          2HD       ARG  65   4.641 -12.634   3.361
  463   2HD   ARG  65          3HD       ARG  65   5.150 -10.976   3.614
  464    HE   ARG  65           HE       ARG  65   6.350 -12.515   5.669
  465   1HH1  ARG  65          1HH1      ARG  65   9.286 -13.370   3.989
  466   2HH1  ARG  65          2HH1      ARG  65   8.514 -13.236   5.533
  467   1HH2  ARG  65          1HH2      ARG  65   8.122 -12.820   2.058
  468   2HH2  ARG  65          2HH2      ARG  65   6.482 -12.274   2.162
  469    H    VAL  66           HN       VAL  66   0.403 -10.498   6.487
  470    HA   VAL  66           HA       VAL  66   0.272  -9.407   8.403
  471    HB   VAL  66           HB       VAL  66   1.016 -12.107   9.538
  472   1HG1  VAL  66          1HG1      VAL  66   1.200  -9.712  10.900
  473   2HG1  VAL  66          2HG1      VAL  66  -0.445 -10.264  11.297
  474   3HG1  VAL  66          3HG1      VAL  66   0.953 -11.313  11.638
  475   1HG2  VAL  66          1HG2      VAL  66  -1.644 -10.695   9.166
  476   2HG2  VAL  66          2HG2      VAL  66  -1.077 -12.160   8.331
  477   3HG2  VAL  66          3HG2      VAL  66  -1.419 -12.208  10.076
  478    H    TYR  67           HN       TYR  67   1.586  -7.947   9.476
  479    HA   TYR  67           HA       TYR  67   4.378  -8.672   9.868
  480   1HB   TYR  67          2HB       TYR  67   3.194  -6.950   7.773
  481   2HB   TYR  67          3HB       TYR  67   4.250  -6.001   8.799
  482    HD1  TYR  67           HD1      TYR  67   4.073  -8.573   6.227
  483    HD2  TYR  67           HD2      TYR  67   6.675  -6.577   8.974
  484    HE1  TYR  67           HE1      TYR  67   6.095  -9.423   4.941
  485    HE2  TYR  67           HE2      TYR  67   8.687  -7.435   7.680
  486    HH   TYR  67           HH       TYR  67   8.249  -9.320   4.707
  487    H    LEU  68           HN       LEU  68   2.411  -5.618   9.813
  488    HA   LEU  68           HA       LEU  68   3.512  -4.361  11.900
  489   1HB   LEU  68          2HB       LEU  68   0.932  -4.349  10.557
  490   2HB   LEU  68          3HB       LEU  68   0.794  -3.875  12.238
  491    HG   LEU  68           HG       LEU  68   1.069  -1.892  10.964
  492   1HD1  LEU  68          1HD1      LEU  68   2.327  -1.104  12.611
  493   2HD1  LEU  68          2HD1      LEU  68   3.040  -2.710  12.890
  494   3HD1  LEU  68          3HD1      LEU  68   3.777  -1.602  11.708
  495   1HD2  LEU  68          1HD2      LEU  68   2.049  -1.922   8.976
  496   2HD2  LEU  68          2HD2      LEU  68   3.632  -2.064   9.776
  497   3HD2  LEU  68          3HD2      LEU  68   2.740  -3.530   9.304
  498    H    GLY  69           HN       GLY  69   3.149  -4.198  14.194
  499   1HA   GLY  69          1HA       GLY  69   2.823  -5.020  16.260
  500   2HA   GLY  69          2HA       GLY  69   1.450  -5.909  15.631
  501    H    ALA  70           HN       ALA  70   5.042  -6.059  15.042
  502    HA   ALA  70           HA       ALA  70   5.000  -8.800  16.041
  503   1HB   ALA  70          1HB       ALA  70   6.267  -8.063  13.379
  504   2HB   ALA  70          2HB       ALA  70   6.037  -9.685  14.073
  505   3HB   ALA  70          3HB       ALA  70   4.630  -8.748  13.515
  506    H    GLU  71           HN       GLU  71   6.970  -6.093  14.639
  507    HA   GLU  71           HA       GLU  71   8.515  -5.862  16.919
  508   1HB   GLU  71          2HB       GLU  71   9.464  -8.047  16.258
  509   2HB   GLU  71          3HB       GLU  71   9.856  -7.424  14.668
  510   1HG   GLU  71          2HG       GLU  71  11.717  -6.311  15.419
  511   2HG   GLU  71          3HG       GLU  71  10.920  -5.751  16.876
  512    H    THR  72           HN       THR  72   9.710  -5.905  13.502
  513    HA   THR  72           HA       THR  72  10.756  -4.210  12.415
  514    HB   THR  72           HB       THR  72   8.861  -2.452  11.851
  515    HG1  THR  72           1HG      THR  72   7.646  -2.918  13.812
  516   1HG2  THR  72          1HG2      THR  72   9.051  -4.170  10.217
  517   2HG2  THR  72          2HG2      THR  72   8.722  -5.456  11.403
  518   3HG2  THR  72          3HG2      THR  72   7.399  -4.411  10.834
  519    H    THR  73           HN       THR  73  11.481  -4.093  15.151
  520    HA   THR  73           HA       THR  73  11.571  -1.170  15.526
  521    HB   THR  73           HB       THR  73  11.422  -3.487  17.516
  522    HG1  THR  73           1HG      THR  73   9.605  -1.886  18.121
  523   1HG2  THR  73          1HG2      THR  73  11.405  -0.621  18.415
  524   2HG2  THR  73          2HG2      THR  73  11.995  -2.067  19.267
  525   3HG2  THR  73          3HG2      THR  73  12.996  -1.306  18.008
  526    H    ARG  74           HN       ARG  74  13.364  -4.281  15.972
  527    HA   ARG  74           HA       ARG  74  15.759  -2.688  15.530
  528   1HB   ARG  74          2HB       ARG  74  16.928  -4.447  17.032
  529   2HB   ARG  74          3HB       ARG  74  15.899  -3.285  17.845
  530   1HG   ARG  74          2HG       ARG  74  14.835  -5.987  16.933
  531   2HG   ARG  74          3HG       ARG  74  15.622  -5.790  18.485
  532   1HD   ARG  74          2HD       ARG  74  13.653  -3.671  18.123
  533   2HD   ARG  74          3HD       ARG  74  12.897  -5.225  17.835
  534    HE   ARG  74           HE       ARG  74  13.315  -5.854  20.089
  535   1HH1  ARG  74          1HH1      ARG  74  14.478  -3.829  22.682
  536   2HH1  ARG  74          2HH1      ARG  74  13.715  -5.330  22.277
  537   1HH2  ARG  74          1HH2      ARG  74  15.093  -2.350  21.002
  538   2HH2  ARG  74          2HH2      ARG  74  14.790  -2.748  19.344
  539    H    SER  75           HN       SER  75  14.001  -5.798  15.209
  540    HA   SER  75           HA       SER  75  16.081  -6.789  13.464
  541   1HB   SER  75          2HB       SER  75  14.452  -8.032  15.333
  542   2HB   SER  75          3HB       SER  75  13.633  -8.426  13.834
  543    HG   SER  75           HG       SER  75  16.415  -8.932  14.469
  544    H    MET  76           HN       MET  76  14.337  -4.456  12.742
  545    HA   MET  76           HA       MET  76  12.218  -4.848  11.252
  546   1HB   MET  76          2HB       MET  76  14.645  -3.106  11.021
  547   2HB   MET  76          3HB       MET  76  13.688  -3.202   9.556
  548   1HG   MET  76          2HG       MET  76  11.661  -2.810  11.311
  549   2HG   MET  76          3HG       MET  76  12.943  -2.059  12.241
  550   1HE   MET  76          1HE       MET  76  10.288  -1.011   9.419
  551   2HE   MET  76          2HE       MET  76  11.461  -1.003   8.080
  552   3HE   MET  76          3HE       MET  76  11.211  -2.483   9.036
  553    H    GLY  77           HN       GLY  77  15.571  -5.721  10.264
  554   1HA   GLY  77          1HA       GLY  77  15.816  -7.729   8.952
  555   2HA   GLY  77          2HA       GLY  77  14.401  -7.262   8.029
  556    H    LEU  78           HN       LEU  78  16.878  -4.909   9.091
  557    HA   LEU  78           HA       LEU  78  17.467  -4.431   6.271
  558   1HB   LEU  78          2HB       LEU  78  18.291  -2.653   8.539
  559   2HB   LEU  78          3HB       LEU  78  18.034  -2.253   6.852
  560    HG   LEU  78           HG       LEU  78  16.032  -2.601   9.054
  561   1HD1  LEU  78          1HD1      LEU  78  17.106  -0.437   7.608
  562   2HD1  LEU  78          2HD1      LEU  78  15.423  -0.616   7.057
  563   3HD1  LEU  78          3HD1      LEU  78  15.774  -0.414   8.790
  564   1HD2  LEU  78          1HD2      LEU  78  14.931  -4.043   7.658
  565   2HD2  LEU  78          2HD2      LEU  78  14.304  -2.486   7.067
  566   3HD2  LEU  78          3HD2      LEU  78  15.606  -3.316   6.181
  567    H    ALA  79           HN       ALA  79  19.085  -4.849   9.488
  568    HA   ALA  79           HA       ALA  79  21.282  -6.143   8.084
  569   1HB   ALA  79          1HB       ALA  79  22.210  -3.989   8.133
  570   2HB   ALA  79          2HB       ALA  79  21.456  -3.591   9.696
  571   3HB   ALA  79          3HB       ALA  79  22.834  -4.718   9.632
  572    H    TYR  80           HN       TYR  80  19.911  -5.019  11.251
  573    HA   TYR  80           HA       TYR  80  20.669  -7.651  12.330
  574   1HB   TYR  80          2HB       TYR  80  20.488  -6.085  14.523
  575   2HB   TYR  80          3HB       TYR  80  21.956  -6.070  13.566
  576    HD1  TYR  80           HD1      TYR  80  22.835  -3.922  13.560
  577    HD2  TYR  80           HD2      TYR  80  18.615  -4.425  13.066
  578    HE1  TYR  80           HE1      TYR  80  22.570  -1.418  13.205
  579    HE2  TYR  80           HE2      TYR  80  18.364  -1.920  12.713
  580    HH   TYR  80           HH       TYR  80  20.173  -0.044  11.787
  Start of MODEL   12
    1    H    SER   1           HN       SER   1  -6.893  -2.180  10.465
    2    HA   SER   1           HA       SER   1  -6.044  -4.725   9.591
    3   1HB   SER   1          2HB       SER   1  -5.640  -3.672   7.491
    4   2HB   SER   1          3HB       SER   1  -7.026  -2.835   8.164
    5    HG   SER   1           HG       SER   1  -4.624  -1.800   7.418
    6    H    HIS   2           HN       HIS   2  -4.140  -5.660  10.238
    7    HA   HIS   2           HA       HIS   2  -1.962  -3.871  10.973
    8   1HB   HIS   2          2HB       HIS   2  -2.375  -6.826  11.508
    9   2HB   HIS   2          3HB       HIS   2  -0.993  -5.889  12.041
   10    HD1  HIS   2           HD1      HIS   2  -1.227  -4.567  14.199
   11    HD2  HIS   2           HD2      HIS   2  -4.889  -6.037  12.776
   12    HE1  HIS   2           HE1      HIS   2  -2.937  -4.129  16.041
   13    H    SER   3           HN       SER   3   0.273  -5.420  10.558
   14    HA   SER   3           HA       SER   3   1.734  -5.974   9.054
   15   1HB   SER   3          2HB       SER   3   1.200  -7.628   7.443
   16   2HB   SER   3          3HB       SER   3   0.011  -7.866   8.708
   17    HG   SER   3           HG       SER   3  -1.532  -7.473   7.289
   18    H    VAL   4           HN       VAL   4   2.549  -5.507   6.737
   19    HA   VAL   4           HA       VAL   4   1.034  -3.584   5.244
   20    HB   VAL   4           HB       VAL   4   1.975  -2.233   7.090
   21   1HG1  VAL   4          1HG1      VAL   4   4.710  -2.767   5.911
   22   2HG1  VAL   4          2HG1      VAL   4   4.296  -1.925   7.423
   23   3HG1  VAL   4          3HG1      VAL   4   4.069  -3.686   7.295
   24   1HG2  VAL   4          1HG2      VAL   4   3.544  -0.946   5.117
   25   2HG2  VAL   4          2HG2      VAL   4   2.223  -1.772   4.255
   26   3HG2  VAL   4          3HG2      VAL   4   1.851  -0.617   5.558
   27    H    LYS   5           HN       LYS   5   1.841  -6.169   4.597
   28    HA   LYS   5           HA       LYS   5   4.380  -6.096   3.288
   29   1HB   LYS   5          2HB       LYS   5   3.508  -8.157   4.264
   30   2HB   LYS   5          3HB       LYS   5   2.111  -8.107   3.208
   31   1HG   LYS   5          2HG       LYS   5   3.680  -9.629   2.190
   32   2HG   LYS   5          3HG       LYS   5   3.700  -8.171   1.217
   33   1HD   LYS   5          2HD       LYS   5   5.833  -7.542   1.932
   34   2HD   LYS   5          3HD       LYS   5   5.660  -8.316   3.495
   35   1HE   LYS   5          2HE       LYS   5   6.766 -10.135   2.720
   36   2HE   LYS   5          3HE       LYS   5   5.500 -10.405   1.538
   37   1HZ   LYS   5          1HZ       LYS   5   7.193 -10.019   0.148
   38   2HZ   LYS   5          2HZ       LYS   5   6.811  -8.448   0.377
   39   3HZ   LYS   5          3HZ       LYS   5   8.051  -9.116   1.204
   40    H    ILE   6           HN       ILE   6   4.715  -6.286   0.955
   41    HA   ILE   6           HA       ILE   6   3.042  -4.447  -0.439
   42    HB   ILE   6           HB       ILE   6   5.234  -6.153  -1.599
   43   1HG1  ILE   6          2HG1      ILE   6   6.263  -5.288   0.338
   44   2HG1  ILE   6          3HG1      ILE   6   6.760  -4.239  -0.975
   45   1HG2  ILE   6          1HG2      ILE   6   4.613  -3.299  -2.301
   46   2HG2  ILE   6          2HG2      ILE   6   5.399  -4.567  -3.273
   47   3HG2  ILE   6          3HG2      ILE   6   3.644  -4.628  -2.983
   48   1HD1  ILE   6          1HD1      ILE   6   4.412  -3.015  -0.121
   49   2HD1  ILE   6          2HD1      ILE   6   5.112  -3.623   1.399
   50   3HD1  ILE   6          3HD1      ILE   6   6.057  -2.531   0.360
   51    H    TYR   7           HN       TYR   7   1.348  -4.843  -1.787
   52    HA   TYR   7           HA       TYR   7   1.070  -7.288  -3.184
   53   1HB   TYR   7          2HB       TYR   7  -0.375  -6.709  -0.554
   54   2HB   TYR   7          3HB       TYR   7  -1.235  -7.607  -1.789
   55    HD1  TYR   7           HD1      TYR   7   0.666  -9.441  -2.917
   56    HD2  TYR   7           HD2      TYR   7   0.316  -8.131   1.140
   57    HE1  TYR   7           HE1      TYR   7   1.775 -11.586  -2.122
   58    HE2  TYR   7           HE2      TYR   7   1.425 -10.280   1.923
   59    HH   TYR   7           HH       TYR   7   3.207 -12.000   0.517
   60    H    ASP   8           HN       ASP   8  -1.284  -7.395  -4.166
   61    HA   ASP   8           HA       ASP   8  -1.744  -4.756  -5.171
   62   1HB   ASP   8          2HB       ASP   8  -3.462  -6.013  -6.615
   63   2HB   ASP   8          3HB       ASP   8  -1.783  -6.470  -6.831
   64    H    THR   9           HN       THR   9  -2.394  -4.907  -2.421
   65    HA   THR   9           HA       THR   9  -5.249  -5.427  -2.222
   66    HB   THR   9           HB       THR   9  -3.689  -6.206  -0.443
   67    HG1  THR   9           1HG      THR   9  -5.945  -5.005  -0.190
   68   1HG2  THR   9          1HG2      THR   9  -2.319  -3.819  -0.835
   69   2HG2  THR   9          2HG2      THR   9  -3.279  -3.455   0.618
   70   3HG2  THR   9          3HG2      THR   9  -2.162  -4.840   0.614
   71    H    CYS  10           HN       CYS  10  -6.335  -3.893  -3.416
   72    HA   CYS  10           HA       CYS  10  -6.478  -1.336  -2.163
   73   1HB   CYS  10          2HB       CYS  10  -4.489  -1.179  -3.791
   74   2HB   CYS  10          3HB       CYS  10  -5.673  -1.292  -5.078
   75    H    ILE  11           HN       ILE  11  -8.292  -0.026  -3.287
   76    HA   ILE  11           HA       ILE  11  -9.976  -1.583  -5.040
   77    HB   ILE  11           HB       ILE  11 -11.929  -1.435  -3.572
   78   1HG1  ILE  11          2HG1      ILE  11 -11.149  -1.161  -1.018
   79   2HG1  ILE  11          3HG1      ILE  11  -9.978  -0.089  -1.762
   80   1HG2  ILE  11          1HG2      ILE  11  -9.632  -2.947  -2.300
   81   2HG2  ILE  11          2HG2      ILE  11 -11.368  -3.298  -2.134
   82   3HG2  ILE  11          3HG2      ILE  11 -10.567  -3.494  -3.712
   83   1HD1  ILE  11          1HD1      ILE  11 -12.987   0.131  -1.700
   84   2HD1  ILE  11          2HD1      ILE  11 -11.757   1.385  -1.410
   85   3HD1  ILE  11          3HD1      ILE  11 -12.104   0.845  -3.070
   86    H    GLY  12           HN       GLY  12  -9.514   1.352  -2.988
   87   1HA   GLY  12          1HA       GLY  12  -9.358   3.323  -4.660
   88   2HA   GLY  12          2HA       GLY  12 -11.037   2.917  -4.956
   89    H    CYS  13           HN       CYS  13  -9.176   2.781  -1.850
   90    HA   CYS  13           HA       CYS  13 -11.176   4.614  -0.759
   91   1HB   CYS  13          2HB       CYS  13 -11.189   3.431   1.166
   92   2HB   CYS  13          3HB       CYS  13 -10.575   2.140   0.153
   93    H    THR  14           HN       THR  14  -9.951   5.705   1.397
   94    HA   THR  14           HA       THR  14  -7.463   6.862   0.320
   95    HB   THR  14           HB       THR  14  -9.302   8.485   0.190
   96    HG1  THR  14           1HG      THR  14  -7.111   9.007   1.182
   97   1HG2  THR  14          1HG2      THR  14 -10.077   7.249   2.740
   98   2HG2  THR  14          2HG2      THR  14  -9.899   9.013   2.911
   99   3HG2  THR  14          3HG2      THR  14 -11.018   8.344   1.698
  100    H    GLN  15           HN       GLN  15  -6.221   5.213   1.384
  101    HA   GLN  15           HA       GLN  15  -5.396   6.040   3.899
  102   1HB   GLN  15          2HB       GLN  15  -6.363   4.601   5.414
  103   2HB   GLN  15          3HB       GLN  15  -7.686   4.680   4.267
  104   1HG   GLN  15          2HG       GLN  15  -6.853   2.617   3.142
  105   2HG   GLN  15          3HG       GLN  15  -5.501   2.544   4.255
  106   1HE2  GLN  15          1HE2      GLN  15  -6.354   0.414   4.706
  107   2HE2  GLN  15          2HE2      GLN  15  -7.604   0.206   5.886
  108    H    CYS  16           HN       CYS  16  -3.390   5.044   4.463
  109    HA   CYS  16           HA       CYS  16  -1.706   3.578   4.298
  110   1HB   CYS  16          2HB       CYS  16  -1.886   1.551   3.307
  111   2HB   CYS  16          3HB       CYS  16  -3.584   1.973   3.216
  112    H    VAL  17           HN       VAL  17  -3.141   4.747   1.175
  113    HA   VAL  17           HA       VAL  17  -0.524   5.274   0.096
  114    HB   VAL  17           HB       VAL  17  -3.209   6.086  -1.012
  115   1HG1  VAL  17          1HG1      VAL  17  -2.120   6.041  -3.147
  116   2HG1  VAL  17          2HG1      VAL  17  -1.099   6.993  -2.043
  117   3HG1  VAL  17          3HG1      VAL  17  -0.651   5.318  -2.449
  118   1HG2  VAL  17          1HG2      VAL  17  -1.855   3.382  -1.056
  119   2HG2  VAL  17          2HG2      VAL  17  -3.525   3.785  -0.592
  120   3HG2  VAL  17          3HG2      VAL  17  -3.030   3.876  -2.299
  121    H    ARG  18           HN       ARG  18  -2.538   6.771   2.356
  122    HA   ARG  18           HA       ARG  18  -1.460   9.367   1.595
  123   1HB   ARG  18          2HB       ARG  18  -4.157   8.581   2.187
  124   2HB   ARG  18          3HB       ARG  18  -3.628   9.573   3.531
  125   1HG   ARG  18          2HG       ARG  18  -4.270  11.301   2.157
  126   2HG   ARG  18          3HG       ARG  18  -2.667  11.089   1.483
  127   1HD   ARG  18          2HD       ARG  18  -3.870   9.283  -0.067
  128   2HD   ARG  18          3HD       ARG  18  -5.325  10.156   0.371
  129    HE   ARG  18           HE       ARG  18  -4.587  12.016  -0.881
  130   1HH1  ARG  18          1HH1      ARG  18  -1.691  12.368  -2.795
  131   2HH1  ARG  18          2HH1      ARG  18  -3.245  13.037  -2.423
  132   1HH2  ARG  18          1HH2      ARG  18  -0.971  10.438  -1.727
  133   2HH2  ARG  18          2HH2      ARG  18  -1.989   9.664  -0.557
  134    H    ALA  19           HN       ALA  19  -2.266   7.079   4.265
  135    HA   ALA  19           HA       ALA  19  -1.066   8.699   6.279
  136   1HB   ALA  19          1HB       ALA  19  -1.431   6.675   7.676
  137   2HB   ALA  19          2HB       ALA  19  -2.891   7.134   6.767
  138   3HB   ALA  19          3HB       ALA  19  -1.891   5.768   6.216
  139    H    CYS  20           HN       CYS  20   1.020   9.174   5.252
  140    HA   CYS  20           HA       CYS  20   3.017   7.450   6.163
  141   1HB   CYS  20          2HB       CYS  20   2.493   5.992   4.317
  142   2HB   CYS  20          3HB       CYS  20   2.496   7.325   3.178
  143    HA   PRO  21           HA       PRO  21   4.549  11.548   5.657
  144   1HB   PRO  21          2HB       PRO  21   6.737  11.308   7.277
  145   2HB   PRO  21          3HB       PRO  21   5.139  11.709   7.877
  146   1HG   PRO  21          2HG       PRO  21   6.601   9.146   8.065
  147   2HG   PRO  21          3HG       PRO  21   5.223   9.695   8.999
  148   1HD   PRO  21          2HD       PRO  21   5.190   7.806   6.841
  149   2HD   PRO  21          3HD       PRO  21   3.800   8.444   7.699
  150    H    LEU  22           HN       LEU  22   7.113   9.111   5.813
  151    HA   LEU  22           HA       LEU  22   8.805  10.440   4.083
  152   1HB   LEU  22          2HB       LEU  22   8.521   7.471   4.563
  153   2HB   LEU  22          3HB       LEU  22   9.895   8.255   3.809
  154    HG   LEU  22           HG       LEU  22   9.303   9.424   6.411
  155   1HD1  LEU  22          1HD1      LEU  22   8.512   7.426   7.257
  156   2HD1  LEU  22          2HD1      LEU  22   9.561   6.439   6.210
  157   3HD1  LEU  22          3HD1      LEU  22  10.254   7.307   7.600
  158   1HD2  LEU  22          1HD2      LEU  22  11.832   8.025   6.163
  159   2HD2  LEU  22          2HD2      LEU  22  11.496   9.030   4.732
  160   3HD2  LEU  22          3HD2      LEU  22  11.498   9.763   6.356
  161    H    ASP  23           HN       ASP  23   5.786   8.826   3.471
  162    HA   ASP  23           HA       ASP  23   4.639   8.483   1.665
  163   1HB   ASP  23          2HB       ASP  23   6.336  10.731   0.991
  164   2HB   ASP  23          3HB       ASP  23   6.167   9.730  -0.438
  165    H    VAL  24           HN       VAL  24   5.223   6.190   1.603
  166    HA   VAL  24           HA       VAL  24   7.366   5.553  -0.304
  167    HB   VAL  24           HB       VAL  24   7.552   3.429   0.838
  168   1HG1  VAL  24          1HG1      VAL  24   8.117   4.395   3.217
  169   2HG1  VAL  24          2HG1      VAL  24   9.045   4.917   1.790
  170   3HG1  VAL  24          3HG1      VAL  24   7.760   5.959   2.445
  171   1HG2  VAL  24          1HG2      VAL  24   5.226   4.440   2.490
  172   2HG2  VAL  24          2HG2      VAL  24   5.347   2.934   1.548
  173   3HG2  VAL  24          3HG2      VAL  24   6.299   3.131   3.040
  174    H    LEU  25           HN       LEU  25   4.109   4.482   0.900
  175    HA   LEU  25           HA       LEU  25   3.559   2.701  -1.114
  176   1HB   LEU  25          2HB       LEU  25   1.622   4.526   0.315
  177   2HB   LEU  25          3HB       LEU  25   1.216   3.052  -0.541
  178    HG   LEU  25           HG       LEU  25   3.047   2.084   1.217
  179   1HD1  LEU  25          1HD1      LEU  25   3.503   3.496   2.864
  180   2HD1  LEU  25          2HD1      LEU  25   2.363   4.697   2.211
  181   3HD1  LEU  25          3HD1      LEU  25   1.788   3.445   3.338
  182   1HD2  LEU  25          1HD2      LEU  25   0.236   2.380   2.200
  183   2HD2  LEU  25          2HD2      LEU  25   0.530   1.529   0.664
  184   3HD2  LEU  25          3HD2      LEU  25   1.296   0.950   2.163
  185    H    GLU  26           HN       GLU  26   4.059   3.175  -3.222
  186    HA   GLU  26           HA       GLU  26   2.854   5.626  -4.248
  187   1HB   GLU  26          2HB       GLU  26   5.269   4.096  -5.316
  188   2HB   GLU  26          3HB       GLU  26   4.600   5.552  -6.027
  189   1HG   GLU  26          2HG       GLU  26   4.981   6.159  -3.269
  190   2HG   GLU  26          3HG       GLU  26   6.419   5.284  -3.758
  191    H    MET  27           HN       MET  27   2.766   5.223  -6.934
  192    HA   MET  27           HA       MET  27   0.817   3.126  -7.100
  193   1HB   MET  27          2HB       MET  27   0.479   4.135  -9.423
  194   2HB   MET  27          3HB       MET  27   0.285   5.292  -8.122
  195   1HG   MET  27          2HG       MET  27   2.053   6.544  -8.837
  196   2HG   MET  27          3HG       MET  27   3.092   5.139  -8.976
  197   1HE   MET  27          1HE       MET  27   1.800   7.907 -10.526
  198   2HE   MET  27          2HE       MET  27   3.333   7.485 -11.325
  199   3HE   MET  27          3HE       MET  27   1.835   7.599 -12.279
  200    H    VAL  28           HN       VAL  28   1.031   1.184  -8.204
  201    HA   VAL  28           HA       VAL  28   3.529   0.830  -9.706
  202    HB   VAL  28           HB       VAL  28   4.016  -1.136  -8.652
  203   1HG1  VAL  28          1HG1      VAL  28   2.628   0.589  -6.582
  204   2HG1  VAL  28          2HG1      VAL  28   3.598  -0.844  -6.165
  205   3HG1  VAL  28          3HG1      VAL  28   4.360   0.535  -6.992
  206   1HG2  VAL  28          1HG2      VAL  28   1.180  -1.380  -7.600
  207   2HG2  VAL  28          2HG2      VAL  28   1.776  -2.154  -9.088
  208   3HG2  VAL  28          3HG2      VAL  28   2.473  -2.600  -7.512
  209    HA   PRO  29           HA       PRO  29   1.060  -1.009 -12.745
  210   1HB   PRO  29          2HB       PRO  29   2.426  -3.221 -13.589
  211   2HB   PRO  29          3HB       PRO  29   2.851  -1.589 -14.070
  212   1HG   PRO  29          2HG       PRO  29   4.201  -3.360 -12.124
  213   2HG   PRO  29          3HG       PRO  29   4.825  -1.931 -12.926
  214   1HD   PRO  29          2HD       PRO  29   3.917  -2.118 -10.211
  215   2HD   PRO  29          3HD       PRO  29   4.430  -0.666 -11.047
  216    H    TRP  30           HN       TRP  30  -0.957  -1.667 -12.377
  217    HA   TRP  30           HA       TRP  30  -1.146  -4.382 -11.284
  218   1HB   TRP  30          2HB       TRP  30  -1.525  -2.860  -9.439
  219   2HB   TRP  30          3HB       TRP  30  -2.709  -1.963 -10.368
  220    HD1  TRP  30           HD1      TRP  30  -5.135  -2.616  -9.683
  221    HE1  TRP  30           HE1      TRP  30  -6.446  -4.719  -8.776
  222    HE3  TRP  30           HE3      TRP  30  -1.131  -5.752  -9.641
  223    HZ2  TRP  30           HZ2      TRP  30  -5.680  -7.397  -8.158
  224    HZ3  TRP  30           HZ3      TRP  30  -1.500  -8.094  -8.871
  225    HH2  TRP  30           HH2      TRP  30  -3.679  -8.931  -8.147
  226    H    ASP  31           HN       ASP  31  -3.615  -5.101 -11.620
  227    HA   ASP  31           HA       ASP  31  -4.566  -3.956 -14.111
  228   1HB   ASP  31          2HB       ASP  31  -3.157  -6.245 -14.212
  229   2HB   ASP  31          3HB       ASP  31  -4.682  -6.948 -13.714
  230    H    GLY  32           HN       GLY  32  -5.863  -3.124 -11.984
  231   1HA   GLY  32          1HA       GLY  32  -8.326  -4.671 -11.909
  232   2HA   GLY  32          2HA       GLY  32  -7.482  -4.504 -10.383
  233    H    CYS  33           HN       CYS  33  -6.337  -1.827 -10.979
  234    HA   CYS  33           HA       CYS  33  -8.592  -0.313 -10.143
  235   1HB   CYS  33          2HB       CYS  33  -5.761  -0.067  -9.995
  236   2HB   CYS  33          3HB       CYS  33  -6.349   1.353 -10.837
  237    HG   CYS  33           HG       CYS  33  -7.006   2.506  -8.885
  238    H    LYS  34           HN       LYS  34  -9.125   1.843 -11.300
  239    HA   LYS  34           HA       LYS  34  -9.904   1.289 -13.924
  240   1HB   LYS  34          2HB       LYS  34 -10.509   3.170 -11.980
  241   2HB   LYS  34          3HB       LYS  34  -9.737   4.133 -13.223
  242   1HG   LYS  34          2HG       LYS  34 -11.431   2.345 -14.636
  243   2HG   LYS  34          3HG       LYS  34 -12.372   2.853 -13.247
  244   1HD   LYS  34          2HD       LYS  34 -12.750   4.874 -14.200
  245   2HD   LYS  34          3HD       LYS  34 -11.028   5.183 -14.291
  246   1HE   LYS  34          2HE       LYS  34 -10.972   4.759 -16.530
  247   2HE   LYS  34          3HE       LYS  34 -11.850   3.255 -16.345
  248   1HZ   LYS  34          1HZ       LYS  34 -13.034   4.955 -17.625
  249   2HZ   LYS  34          2HZ       LYS  34 -13.883   4.448 -16.325
  250   3HZ   LYS  34          3HZ       LYS  34 -13.131   5.897 -16.295
  251    H    ALA  35           HN       ALA  35  -6.903   2.470 -12.546
  252    HA   ALA  35           HA       ALA  35  -5.995   3.170 -15.253
  253   1HB   ALA  35          1HB       ALA  35  -4.265   4.519 -14.073
  254   2HB   ALA  35          2HB       ALA  35  -5.919   5.050 -13.685
  255   3HB   ALA  35          3HB       ALA  35  -5.003   4.068 -12.518
  256    H    GLY  36           HN       GLY  36  -6.279   0.475 -13.728
  257   1HA   GLY  36          1HA       GLY  36  -5.037  -1.364 -13.288
  258   2HA   GLY  36          2HA       GLY  36  -4.244  -0.933 -14.790
  259    H    GLN  37           HN       GLN  37  -4.238   0.511 -11.448
  260    HA   GLN  37           HA       GLN  37  -1.456  -0.159 -11.226
  261   1HB   GLN  37          2HB       GLN  37  -0.840   2.235 -10.660
  262   2HB   GLN  37          3HB       GLN  37  -1.209   1.957 -12.349
  263   1HG   GLN  37          2HG       GLN  37  -2.768   3.597 -12.229
  264   2HG   GLN  37          3HG       GLN  37  -3.709   2.572 -11.164
  265   1HE2  GLN  37          1HE2      GLN  37  -4.025   3.160  -9.137
  266   2HE2  GLN  37          2HE2      GLN  37  -3.235   4.454  -8.302
  267    H    ILE  38           HN       ILE  38  -1.178  -0.932  -9.180
  268    HA   ILE  38           HA       ILE  38  -3.156  -0.133  -7.186
  269    HB   ILE  38           HB       ILE  38  -2.670  -2.556  -7.848
  270   1HG1  ILE  38          2HG1      ILE  38  -2.447  -2.860  -5.063
  271   2HG1  ILE  38          3HG1      ILE  38  -3.244  -1.316  -5.287
  272   1HG2  ILE  38          1HG2      ILE  38  -0.811  -3.572  -6.460
  273   2HG2  ILE  38          2HG2      ILE  38  -0.308  -2.632  -7.884
  274   3HG2  ILE  38          3HG2      ILE  38  -0.180  -1.920  -6.258
  275   1HD1  ILE  38          1HD1      ILE  38  -4.856  -3.234  -5.192
  276   2HD1  ILE  38          2HD1      ILE  38  -4.951  -2.342  -6.728
  277   3HD1  ILE  38          3HD1      ILE  38  -4.103  -3.905  -6.659
  278    H    ALA  39           HN       ALA  39  -2.570   0.762  -5.179
  279    HA   ALA  39           HA       ALA  39  -0.039   2.149  -5.250
  280   1HB   ALA  39          1HB       ALA  39  -2.215   3.232  -4.615
  281   2HB   ALA  39          2HB       ALA  39  -2.261   2.193  -3.172
  282   3HB   ALA  39          3HB       ALA  39  -0.953   3.383  -3.370
  283    H    SER  40           HN       SER  40   1.707   0.872  -4.758
  284    HA   SER  40           HA       SER  40   1.515  -0.504  -2.201
  285   1HB   SER  40          2HB       SER  40   2.181  -1.637  -4.870
  286   2HB   SER  40          3HB       SER  40   3.307  -2.075  -3.600
  287    HG   SER  40           HG       SER  40   0.989  -3.232  -4.076
  288    H    SER  41           HN       SER  41   4.140  -1.401  -1.950
  289    HA   SER  41           HA       SER  41   5.704   1.012  -2.423
  290   1HB   SER  41          2HB       SER  41   5.496  -0.635   0.128
  291   2HB   SER  41          3HB       SER  41   6.827   0.467  -0.165
  292    HG   SER  41           HG       SER  41   5.325   2.222  -0.315
  293    HA   PRO  42           HA       PRO  42   7.990  -2.470  -4.080
  294   1HB   PRO  42          2HB       PRO  42   9.060  -1.157  -6.225
  295   2HB   PRO  42          3HB       PRO  42   7.536  -2.021  -6.292
  296   1HG   PRO  42          2HG       PRO  42   8.009   0.895  -6.189
  297   2HG   PRO  42          3HG       PRO  42   6.563   0.034  -6.677
  298   1HD   PRO  42          2HD       PRO  42   7.001   1.379  -4.182
  299   2HD   PRO  42          3HD       PRO  42   5.602   0.422  -4.625
  300    H    ARG  43           HN       ARG  43   9.423   0.757  -4.332
  301    HA   ARG  43           HA       ARG  43  11.853  -0.422  -3.334
  302   1HB   ARG  43          2HB       ARG  43  11.353   2.459  -4.230
  303   2HB   ARG  43          3HB       ARG  43  12.916   1.699  -4.001
  304   1HG   ARG  43          2HG       ARG  43  10.879   0.603  -5.984
  305   2HG   ARG  43          3HG       ARG  43  12.013   1.861  -6.432
  306   1HD   ARG  43          2HD       ARG  43  13.432   0.145  -6.951
  307   2HD   ARG  43          3HD       ARG  43  13.704   0.030  -5.223
  308    HE   ARG  43           HE       ARG  43  12.371  -1.915  -5.141
  309   1HH1  ARG  43          1HH1      ARG  43  10.772  -3.599  -7.747
  310   2HH1  ARG  43          2HH1      ARG  43  11.272  -3.680  -6.090
  311   1HH2  ARG  43          1HH2      ARG  43  11.221  -1.699  -9.002
  312   2HH2  ARG  43          2HH2      ARG  43  12.054  -0.362  -8.283
  313    H    THR  44           HN       THR  44  11.015  -0.766  -1.110
  314    HA   THR  44           HA       THR  44  10.365   1.643   0.389
  315    HB   THR  44           HB       THR  44  10.484  -1.296   1.244
  316    HG1  THR  44           1HG      THR  44   8.081  -0.931   0.802
  317   1HG2  THR  44          1HG2      THR  44  10.255   0.087   3.213
  318   2HG2  THR  44          2HG2      THR  44   9.184   1.230   2.367
  319   3HG2  THR  44          3HG2      THR  44   8.597  -0.398   2.784
  320    H    GLU  45           HN       GLU  45  13.096   1.195  -0.793
  321    HA   GLU  45           HA       GLU  45  14.883   0.354   1.072
  322   1HB   GLU  45          2HB       GLU  45  16.538   1.564  -0.173
  323   2HB   GLU  45          3HB       GLU  45  15.321   1.067  -1.333
  324   1HG   GLU  45          2HG       GLU  45  14.312   3.287  -1.350
  325   2HG   GLU  45          3HG       GLU  45  15.282   3.804   0.015
  326    H    ASP  46           HN       ASP  46  12.977   3.343   0.959
  327    HA   ASP  46           HA       ASP  46  14.448   4.264   3.298
  328   1HB   ASP  46          2HB       ASP  46  12.890   5.684   1.122
  329   2HB   ASP  46          3HB       ASP  46  13.064   6.454   2.686
  330    H    CYS  47           HN       CYS  47  13.310   3.578   5.131
  331    HA   CYS  47           HA       CYS  47  10.907   4.567   5.856
  332   1HB   CYS  47          2HB       CYS  47   9.564   3.546   4.275
  333   2HB   CYS  47          3HB       CYS  47  10.554   2.103   4.186
  334    H    VAL  48           HN       VAL  48  11.942   4.582   7.885
  335    HA   VAL  48           HA       VAL  48  12.935   2.038   8.898
  336    HB   VAL  48           HB       VAL  48  13.146   4.886   9.890
  337   1HG1  VAL  48          1HG1      VAL  48  15.067   3.279  11.175
  338   2HG1  VAL  48          2HG1      VAL  48  13.638   4.052  11.901
  339   3HG1  VAL  48          3HG1      VAL  48  13.534   2.382  11.293
  340   1HG2  VAL  48          1HG2      VAL  48  15.600   3.418   9.222
  341   2HG2  VAL  48          2HG2      VAL  48  14.512   3.653   7.834
  342   3HG2  VAL  48          3HG2      VAL  48  15.082   5.058   8.765
  343    H    GLY  49           HN       GLY  49  10.122   2.173   8.472
  344   1HA   GLY  49          1HA       GLY  49   8.142   1.940   9.522
  345   2HA   GLY  49          2HA       GLY  49   9.086   1.176  10.786
  346    H    CYS  50           HN       CYS  50   7.838   4.344   9.604
  347    HA   CYS  50           HA       CYS  50   8.560   5.697  11.994
  348   1HB   CYS  50          2HB       CYS  50   7.414   7.597  11.059
  349   2HB   CYS  50          3HB       CYS  50   8.351   6.831   9.791
  350    H    LYS  51           HN       LYS  51   5.830   3.792  10.764
  351    HA   LYS  51           HA       LYS  51   4.181   2.842  11.947
  352   1HB   LYS  51          2HB       LYS  51   5.755   3.726  14.028
  353   2HB   LYS  51          3HB       LYS  51   4.243   4.554  14.341
  354   1HG   LYS  51          2HG       LYS  51   3.001   2.499  14.432
  355   2HG   LYS  51          3HG       LYS  51   4.290   1.588  13.672
  356   1HD   LYS  51          2HD       LYS  51   5.000   1.032  15.755
  357   2HD   LYS  51          3HD       LYS  51   5.529   2.693  15.940
  358   1HE   LYS  51          2HE       LYS  51   2.763   2.832  16.437
  359   2HE   LYS  51          3HE       LYS  51   3.232   1.313  17.177
  360   1HZ   LYS  51          1HZ       LYS  51   4.016   2.515  18.828
  361   2HZ   LYS  51          2HZ       LYS  51   5.187   3.098  17.850
  362   3HZ   LYS  51          3HZ       LYS  51   3.790   3.924  18.034
  363    H    ARG  52           HN       ARG  52   3.544   4.392   9.953
  364    HA   ARG  52           HA       ARG  52   1.544   6.187  11.072
  365   1HB   ARG  52          2HB       ARG  52   3.530   6.585   8.874
  366   2HB   ARG  52          3HB       ARG  52   1.911   7.144   8.503
  367   1HG   ARG  52          2HG       ARG  52   3.075   9.005   9.514
  368   2HG   ARG  52          3HG       ARG  52   1.920   8.429  10.699
  369   1HD   ARG  52          2HD       ARG  52   4.216   6.884  11.220
  370   2HD   ARG  52          3HD       ARG  52   4.866   8.463  10.830
  371    HE   ARG  52           HE       ARG  52   3.252   7.768  13.174
  372   1HH1  ARG  52          1HH1      ARG  52   3.254  11.044  14.377
  373   2HH1  ARG  52          2HH1      ARG  52   2.914   9.388  14.751
  374   1HH2  ARG  52          1HH2      ARG  52   4.053  11.619  12.275
  375   2HH2  ARG  52          2HH2      ARG  52   4.310  10.392  11.081
  376    H    CYS  53           HN       CYS  53   2.509   4.125   8.244
  377    HA   CYS  53           HA       CYS  53   0.178   4.096   6.867
  378   1HB   CYS  53          2HB       CYS  53   0.901   1.600   6.376
  379   2HB   CYS  53          3HB       CYS  53   1.831   2.954   5.767
  380    H    GLU  54           HN       GLU  54   0.890   0.997   8.476
  381    HA   GLU  54           HA       GLU  54  -0.399  -0.400   9.539
  382   1HB   GLU  54          2HB       GLU  54   0.188   1.305  11.345
  383   2HB   GLU  54          3HB       GLU  54  -1.396   2.016  11.106
  384   1HG   GLU  54          2HG       GLU  54  -2.372   0.418  12.387
  385   2HG   GLU  54          3HG       GLU  54  -1.700  -0.856  11.389
  386    H    THR  55           HN       THR  55  -1.534   0.844   7.098
  387    HA   THR  55           HA       THR  55  -4.348   0.259   7.672
  388    HB   THR  55           HB       THR  55  -4.895   2.228   6.117
  389    HG1  THR  55           1HG      THR  55  -2.074   2.683   6.795
  390   1HG2  THR  55          1HG2      THR  55  -3.487   2.644   8.786
  391   2HG2  THR  55          2HG2      THR  55  -4.066   4.034   7.838
  392   3HG2  THR  55          3HG2      THR  55  -5.220   2.809   8.416
  393    H    ALA  56           HN       ALA  56  -2.722  -1.700   6.792
  394    HA   ALA  56           HA       ALA  56  -2.459  -1.719   3.968
  395   1HB   ALA  56          1HB       ALA  56  -1.787  -4.034   4.309
  396   2HB   ALA  56          2HB       ALA  56  -1.061  -3.026   5.585
  397   3HB   ALA  56          3HB       ALA  56  -2.484  -4.032   5.947
  398    H    CYS  57           HN       CYS  57  -4.779  -0.867   3.660
  399    HA   CYS  57           HA       CYS  57  -6.828  -1.200   2.954
  400   1HB   CYS  57          2HB       CYS  57  -5.382  -3.402   1.956
  401   2HB   CYS  57          3HB       CYS  57  -6.878  -4.078   2.567
  402    HA   PRO  58           HA       PRO  58  -9.082  -2.587   6.413
  403   1HB   PRO  58          2HB       PRO  58 -11.626  -2.758   5.430
  404   2HB   PRO  58          3HB       PRO  58 -10.879  -1.243   5.898
  405   1HG   PRO  58          2HG       PRO  58 -11.377  -2.304   3.184
  406   2HG   PRO  58          3HG       PRO  58 -11.036  -0.656   3.672
  407   1HD   PRO  58          2HD       PRO  58  -9.210  -2.493   2.440
  408   2HD   PRO  58          3HD       PRO  58  -8.839  -0.887   3.035
  409    H    THR  59           HN       THR  59  -7.647  -4.624   5.049
  410    HA   THR  59           HA       THR  59  -7.562  -6.843   4.901
  411    HB   THR  59           HB       THR  59  -8.328  -7.976   6.840
  412    HG1  THR  59           1HG      THR  59 -10.570  -7.803   6.700
  413   1HG2  THR  59          1HG2      THR  59  -8.174  -6.475   8.712
  414   2HG2  THR  59          2HG2      THR  59  -7.172  -5.716   7.452
  415   3HG2  THR  59          3HG2      THR  59  -8.816  -5.111   7.767
  416    H    ASP  60           HN       ASP  60  -8.175  -8.160   3.304
  417    HA   ASP  60           HA       ASP  60 -10.492  -9.292   2.871
  418   1HB   ASP  60          2HB       ASP  60 -10.767  -6.441   2.264
  419   2HB   ASP  60          3HB       ASP  60 -11.066  -7.397   0.826
  420    H    PHE  61           HN       PHE  61  -7.711  -7.528   1.629
  421    HA   PHE  61           HA       PHE  61  -7.721  -9.170  -0.801
  422   1HB   PHE  61          2HB       PHE  61  -7.362  -6.400  -0.287
  423   2HB   PHE  61          3HB       PHE  61  -5.720  -6.985  -0.476
  424    HD1  PHE  61           1HD      PHE  61  -5.936  -9.000  -2.557
  425    HD2  PHE  61           2HD      PHE  61  -7.920  -5.264  -2.219
  426    HE1  PHE  61           1HE      PHE  61  -6.191  -8.909  -5.052
  427    HE2  PHE  61           2HE      PHE  61  -8.174  -5.173  -4.715
  428    HZ   PHE  61           HZ       PHE  61  -7.306  -6.997  -6.101
  429    H    LEU  62           HN       LEU  62  -5.222  -7.570   1.305
  430    HA   LEU  62           HA       LEU  62  -3.203  -9.336   0.734
  431   1HB   LEU  62          2HB       LEU  62  -2.181  -8.534   2.826
  432   2HB   LEU  62          3HB       LEU  62  -2.763  -7.254   1.779
  433    HG   LEU  62           HG       LEU  62  -4.894  -7.313   3.289
  434   1HD1  LEU  62          1HD1      LEU  62  -4.053  -7.850   5.714
  435   2HD1  LEU  62          2HD1      LEU  62  -4.688  -9.142   4.667
  436   3HD1  LEU  62          3HD1      LEU  62  -2.931  -8.939   4.865
  437   1HD2  LEU  62          1HD2      LEU  62  -3.648  -5.816   4.979
  438   2HD2  LEU  62          2HD2      LEU  62  -2.213  -6.121   3.971
  439   3HD2  LEU  62          3HD2      LEU  62  -3.650  -5.344   3.263
  440    H    SER  63           HN       SER  63  -2.410 -11.261   1.654
  441    HA   SER  63           HA       SER  63  -4.484 -12.793   2.921
  442   1HB   SER  63          2HB       SER  63  -1.761 -13.487   1.757
  443   2HB   SER  63          3HB       SER  63  -2.714 -14.665   2.637
  444    HG   SER  63           HG       SER  63  -2.955 -13.901   0.042
  445    H    ILE  64           HN       ILE  64  -3.598 -10.738   4.609
  446    HA   ILE  64           HA       ILE  64  -2.375 -10.252   6.450
  447    HB   ILE  64           HB       ILE  64  -3.044 -11.809   8.306
  448   1HG1  ILE  64          2HG1      ILE  64  -4.843 -13.218   6.370
  449   2HG1  ILE  64          3HG1      ILE  64  -3.187 -13.770   6.522
  450   1HG2  ILE  64          1HG2      ILE  64  -5.260 -10.834   6.483
  451   2HG2  ILE  64          2HG2      ILE  64  -5.381 -11.155   8.229
  452   3HG2  ILE  64          3HG2      ILE  64  -4.349  -9.831   7.638
  453   1HD1  ILE  64          1HD1      ILE  64  -4.421 -15.038   8.131
  454   2HD1  ILE  64          2HD1      ILE  64  -3.573 -13.793   9.078
  455   3HD1  ILE  64          3HD1      ILE  64  -5.302 -13.599   8.702
  456    H    ARG  65           HN       ARG  65  -0.200 -10.339   5.675
  457    HA   ARG  65           HA       ARG  65   1.118 -12.874   5.879
  458   1HB   ARG  65          2HB       ARG  65   1.692 -11.405   3.989
  459   2HB   ARG  65          3HB       ARG  65   2.094 -10.090   5.077
  460   1HG   ARG  65          2HG       ARG  65   4.195 -10.892   5.420
  461   2HG   ARG  65          3HG       ARG  65   3.599 -12.499   5.786
  462   1HD   ARG  65          2HD       ARG  65   3.204 -12.609   3.136
  463   2HD   ARG  65          3HD       ARG  65   4.413 -11.341   3.114
  464    HE   ARG  65           HE       ARG  65   5.553 -13.240   4.768
  465   1HH1  ARG  65          1HH1      ARG  65   6.761 -15.569   2.466
  466   2HH1  ARG  65          2HH1      ARG  65   6.900 -14.952   4.079
  467   1HH2  ARG  65          1HH2      ARG  65   5.204 -14.656   1.007
  468   2HH2  ARG  65          2HH2      ARG  65   4.184 -13.358   1.528
  469    H    VAL  66           HN       VAL  66   0.519 -10.019   7.796
  470    HA   VAL  66           HA       VAL  66   1.176  -9.370   9.802
  471    HB   VAL  66           HB       VAL  66   2.145 -12.228   9.981
  472   1HG1  VAL  66          1HG1      VAL  66   2.438 -11.988  12.296
  473   2HG1  VAL  66          2HG1      VAL  66   3.181 -10.520  11.617
  474   3HG1  VAL  66          3HG1      VAL  66   1.559 -10.441  12.345
  475   1HG2  VAL  66          1HG2      VAL  66  -0.339 -11.064  11.245
  476   2HG2  VAL  66          2HG2      VAL  66  -0.346 -11.691   9.579
  477   3HG2  VAL  66          3HG2      VAL  66   0.069 -12.769  10.934
  478    H    TYR  67           HN       TYR  67   2.706  -7.814   9.892
  479    HA   TYR  67           HA       TYR  67   5.490  -8.658   9.645
  480   1HB   TYR  67          2HB       TYR  67   3.841  -7.135   7.745
  481   2HB   TYR  67          3HB       TYR  67   5.077  -6.073   8.392
  482    HD1  TYR  67           HD1      TYR  67   4.674  -9.457   6.834
  483    HD2  TYR  67           HD2      TYR  67   7.208  -6.063   7.433
  484    HE1  TYR  67           HE1      TYR  67   6.369 -10.425   5.204
  485    HE2  TYR  67           HE2      TYR  67   8.895  -7.042   5.801
  486    HH   TYR  67           HH       TYR  67   9.453  -8.776   4.619
  487    H    LEU  68           HN       LEU  68   3.380  -5.715  10.031
  488    HA   LEU  68           HA       LEU  68   5.022  -4.142  11.447
  489   1HB   LEU  68          2HB       LEU  68   2.151  -4.494  11.175
  490   2HB   LEU  68          3HB       LEU  68   2.578  -3.869  12.755
  491    HG   LEU  68           HG       LEU  68   2.076  -2.063  11.208
  492   1HD1  LEU  68          1HD1      LEU  68   4.448  -0.922  11.298
  493   2HD1  LEU  68          2HD1      LEU  68   3.527  -1.253  12.786
  494   3HD1  LEU  68          3HD1      LEU  68   4.850  -2.340  12.297
  495   1HD2  LEU  68          1HD2      LEU  68   2.621  -2.146   9.062
  496   2HD2  LEU  68          2HD2      LEU  68   4.350  -2.077   9.485
  497   3HD2  LEU  68          3HD2      LEU  68   3.529  -3.650   9.346
  498    H    GLY  69           HN       GLY  69   5.627  -3.815  13.638
  499   1HA   GLY  69          1HA       GLY  69   5.997  -4.378  15.802
  500   2HA   GLY  69          2HA       GLY  69   4.791  -5.643  15.683
  501    H    ALA  70           HN       ALA  70   7.890  -5.015  13.881
  502    HA   ALA  70           HA       ALA  70   9.033  -7.402  15.055
  503   1HB   ALA  70          1HB       ALA  70   9.165  -8.672  13.123
  504   2HB   ALA  70          2HB       ALA  70   7.591  -7.880  12.870
  505   3HB   ALA  70          3HB       ALA  70   9.043  -7.254  12.053
  506    H    GLU  71           HN       GLU  71   9.397  -4.979  12.363
  507    HA   GLU  71           HA       GLU  71  12.168  -4.933  12.560
  508   1HB   GLU  71          2HB       GLU  71  11.998  -2.879  11.160
  509   2HB   GLU  71          3HB       GLU  71  10.994  -4.180  10.549
  510   1HG   GLU  71          2HG       GLU  71   9.084  -3.094  11.995
  511   2HG   GLU  71          3HG       GLU  71  10.127  -1.686  12.053
  512    H    THR  72           HN       THR  72  13.492  -4.040  14.083
  513    HA   THR  72           HA       THR  72  13.112  -1.514  15.194
  514    HB   THR  72           HB       THR  72  11.184  -2.511  16.370
  515    HG1  THR  72           1HG      THR  72  12.279  -1.167  17.801
  516   1HG2  THR  72          1HG2      THR  72  12.673  -4.888  16.383
  517   2HG2  THR  72          2HG2      THR  72  12.812  -4.313  18.062
  518   3HG2  THR  72          3HG2      THR  72  11.205  -4.590  17.346
  519    H    THR  73           HN       THR  73  15.277  -2.252  14.022
  520    HA   THR  73           HA       THR  73  17.492  -2.188  14.431
  521    HB   THR  73           HB       THR  73  16.466  -1.675  16.968
  522    HG1  THR  73           1HG      THR  73  18.904  -1.409  17.317
  523   1HG2  THR  73          1HG2      THR  73  18.540  -3.905  17.231
  524   2HG2  THR  73          2HG2      THR  73  17.686  -3.057  18.542
  525   3HG2  THR  73          3HG2      THR  73  16.801  -4.186  17.488
  526    H    ARG  74           HN       ARG  74  15.662  -4.885  15.970
  527    HA   ARG  74           HA       ARG  74  17.793  -6.670  15.339
  528   1HB   ARG  74          2HB       ARG  74  16.713  -7.355  17.304
  529   2HB   ARG  74          3HB       ARG  74  15.133  -6.842  16.746
  530   1HG   ARG  74          2HG       ARG  74  16.449  -9.091  15.240
  531   2HG   ARG  74          3HG       ARG  74  15.864  -9.450  16.852
  532   1HD   ARG  74          2HD       ARG  74  13.616  -8.401  16.147
  533   2HD   ARG  74          3HD       ARG  74  14.237  -8.365  14.508
  534    HE   ARG  74           HE       ARG  74  14.077 -10.723  14.391
  535   1HH1  ARG  74          1HH1      ARG  74  12.770 -12.934  16.753
  536   2HH1  ARG  74          2HH1      ARG  74  13.285 -12.742  15.111
  537   1HH2  ARG  74          1HH2      ARG  74  12.882 -11.141  18.221
  538   2HH2  ARG  74          2HH2      ARG  74  13.482  -9.611  17.676
  539    H    SER  75           HN       SER  75  14.666  -5.623  14.007
  540    HA   SER  75           HA       SER  75  15.164  -7.402  11.761
  541   1HB   SER  75          2HB       SER  75  12.720  -7.190  13.461
  542   2HB   SER  75          3HB       SER  75  12.424  -7.224  11.733
  543    HG   SER  75           HG       SER  75  12.500  -9.366  12.816
  544    H    MET  76           HN       MET  76  15.677  -4.466  12.438
  545    HA   MET  76           HA       MET  76  13.997  -2.683  11.477
  546   1HB   MET  76          2HB       MET  76  16.870  -2.969  11.720
  547   2HB   MET  76          3HB       MET  76  16.557  -2.180  10.187
  548   1HG   MET  76          2HG       MET  76  14.939  -1.134  12.465
  549   2HG   MET  76          3HG       MET  76  16.664  -0.875  12.622
  550   1HE   MET  76          1HE       MET  76  16.032   1.986  12.365
  551   2HE   MET  76          2HE       MET  76  17.540   1.075  12.114
  552   3HE   MET  76          3HE       MET  76  17.027   2.293  10.922
  553    H    GLY  77           HN       GLY  77  16.359  -4.405   9.299
  554   1HA   GLY  77          1HA       GLY  77  14.434  -4.884   7.279
  555   2HA   GLY  77          2HA       GLY  77  15.356  -3.445   6.894
  556    H    LEU  78           HN       LEU  78  17.877  -4.195   8.128
  557    HA   LEU  78           HA       LEU  78  18.656  -6.296   6.236
  558   1HB   LEU  78          2HB       LEU  78  19.886  -4.500   5.602
  559   2HB   LEU  78          3HB       LEU  78  19.910  -3.789   7.203
  560    HG   LEU  78           HG       LEU  78  22.123  -4.610   6.255
  561   1HD1  LEU  78          1HD1      LEU  78  21.576  -5.937   8.890
  562   2HD1  LEU  78          2HD1      LEU  78  22.980  -4.978   8.364
  563   3HD1  LEU  78          3HD1      LEU  78  21.439  -4.169   8.737
  564   1HD2  LEU  78          1HD2      LEU  78  21.793  -7.323   7.224
  565   2HD2  LEU  78          2HD2      LEU  78  20.694  -6.978   5.867
  566   3HD2  LEU  78          3HD2      LEU  78  22.447  -6.731   5.678
  567    H    ALA  79           HN       ALA  79  19.126  -5.071   9.609
  568    HA   ALA  79           HA       ALA  79  20.799  -6.877  10.645
  569   1HB   ALA  79          1HB       ALA  79  20.047  -6.068  12.630
  570   2HB   ALA  79          2HB       ALA  79  19.047  -4.997  11.620
  571   3HB   ALA  79          3HB       ALA  79  18.357  -6.500  12.278
  572    H    TYR  80           HN       TYR  80  17.485  -7.471   9.491
  573    HA   TYR  80           HA       TYR  80  17.141  -9.975  10.724
  574   1HB   TYR  80          2HB       TYR  80  15.151  -9.856   9.448
  575   2HB   TYR  80          3HB       TYR  80  15.637  -8.177   9.313
  576    HD1  TYR  80           HD1      TYR  80  14.397 -10.796   7.477
  577    HD2  TYR  80           HD2      TYR  80  17.527  -7.886   7.294
  578    HE1  TYR  80           HE1      TYR  80  14.458 -11.011   4.944
  579    HE2  TYR  80           HE2      TYR  80  17.579  -8.111   4.763
  580    HH   TYR  80           HH       TYR  80  15.149  -9.483   3.026
  Start of MODEL   13
    1    H    SER   1           HN       SER   1   0.177  -1.621  15.504
    2    HA   SER   1           HA       SER   1  -1.774  -1.562  14.001
    3   1HB   SER   1          2HB       SER   1   0.819  -1.831  12.440
    4   2HB   SER   1          3HB       SER   1  -0.533  -0.768  12.105
    5    HG   SER   1           HG       SER   1   0.069   0.609  13.727
    6    H    HIS   2           HN       HIS   2   0.606  -4.236  13.610
    7    HA   HIS   2           HA       HIS   2   0.392  -6.265  12.792
    8   1HB   HIS   2          2HB       HIS   2  -2.456  -6.201  12.062
    9   2HB   HIS   2          3HB       HIS   2  -1.565  -7.347  13.044
   10    HD1  HIS   2           HD1      HIS   2  -0.774  -6.034  15.522
   11    HD2  HIS   2           HD2      HIS   2  -4.324  -4.934  13.575
   12    HE1  HIS   2           HE1      HIS   2  -2.240  -4.916  17.286
   13    H    SER   3           HN       SER   3   1.227  -6.809  10.840
   14    HA   SER   3           HA       SER   3   1.733  -6.707   8.730
   15   1HB   SER   3          2HB       SER   3  -0.643  -7.650   8.631
   16   2HB   SER   3          3HB       SER   3  -1.195  -6.042   8.206
   17    HG   SER   3           HG       SER   3  -0.551  -7.747   6.448
   18    H    VAL   4           HN       VAL   4   1.121  -5.208   6.504
   19    HA   VAL   4           HA       VAL   4   0.513  -2.542   6.884
   20    HB   VAL   4           HB       VAL   4   2.976  -3.176   8.051
   21   1HG1  VAL   4          1HG1      VAL   4   3.476  -1.487   5.585
   22   2HG1  VAL   4          2HG1      VAL   4   4.662  -2.076   6.774
   23   3HG1  VAL   4          3HG1      VAL   4   3.859  -3.223   5.677
   24   1HG2  VAL   4          1HG2      VAL   4   3.135  -0.738   8.401
   25   2HG2  VAL   4          2HG2      VAL   4   1.846  -0.488   7.199
   26   3HG2  VAL   4          3HG2      VAL   4   1.494  -1.351   8.716
   27    H    LYS   5           HN       LYS   5   2.514  -5.022   5.245
   28    HA   LYS   5           HA       LYS   5   3.111  -3.883   2.898
   29   1HB   LYS   5          2HB       LYS   5   2.997  -6.463   3.903
   30   2HB   LYS   5          3HB       LYS   5   1.916  -6.536   2.527
   31   1HG   LYS   5          2HG       LYS   5   4.519  -5.092   2.117
   32   2HG   LYS   5          3HG       LYS   5   4.609  -6.831   2.305
   33   1HD   LYS   5          2HD       LYS   5   2.416  -6.295   0.527
   34   2HD   LYS   5          3HD       LYS   5   3.761  -5.307  -0.009
   35   1HE   LYS   5          2HE       LYS   5   5.192  -7.503   0.274
   36   2HE   LYS   5          3HE       LYS   5   3.647  -8.328   0.280
   37   1HZ   LYS   5          1HZ       LYS   5   4.748  -6.646  -1.852
   38   2HZ   LYS   5          2HZ       LYS   5   4.362  -8.230  -1.926
   39   3HZ   LYS   5          3HZ       LYS   5   3.182  -7.107  -1.826
   40    H    ILE   6           HN       ILE   6   2.107  -3.488   0.868
   41    HA   ILE   6           HA       ILE   6  -0.825  -3.395   1.043
   42    HB   ILE   6           HB       ILE   6   1.005  -1.470  -0.395
   43   1HG1  ILE   6          2HG1      ILE   6  -0.081   0.084   1.447
   44   2HG1  ILE   6          3HG1      ILE   6  -0.228  -1.418   2.339
   45   1HG2  ILE   6          1HG2      ILE   6  -0.889  -1.214  -1.605
   46   2HG2  ILE   6          2HG2      ILE   6  -1.935  -1.874  -0.326
   47   3HG2  ILE   6          3HG2      ILE   6  -1.353  -0.196  -0.221
   48   1HD1  ILE   6          1HD1      ILE   6   2.396  -0.591   1.039
   49   2HD1  ILE   6          2HD1      ILE   6   1.948  -0.075   2.682
   50   3HD1  ILE   6          3HD1      ILE   6   2.134  -1.806   2.313
   51    H    TYR   7           HN       TYR   7  -1.413  -5.248  -0.031
   52    HA   TYR   7           HA       TYR   7   0.023  -6.018  -2.413
   53   1HB   TYR   7          2HB       TYR   7  -2.630  -7.083  -1.307
   54   2HB   TYR   7          3HB       TYR   7  -1.404  -7.990  -2.169
   55    HD1  TYR   7           HD1      TYR   7  -2.809  -7.464   0.970
   56    HD2  TYR   7           HD2      TYR   7   1.006  -7.954  -0.905
   57    HE1  TYR   7           HE1      TYR   7  -1.812  -8.228   3.181
   58    HE2  TYR   7           HE2      TYR   7   1.990  -8.715   1.313
   59    HH   TYR   7           HH       TYR   7   0.107  -9.652   3.892
   60    H    ASP   8           HN       ASP   8  -1.615  -6.882  -4.263
   61    HA   ASP   8           HA       ASP   8  -2.400  -4.788  -5.679
   62   1HB   ASP   8          2HB       ASP   8  -3.636  -6.292  -7.051
   63   2HB   ASP   8          3HB       ASP   8  -2.409  -7.290  -6.298
   64    H    THR   9           HN       THR   9  -4.005  -6.212  -2.874
   65    HA   THR   9           HA       THR   9  -6.631  -5.520  -3.200
   66    HB   THR   9           HB       THR   9  -5.699  -6.826  -1.302
   67    HG1  THR   9           1HG      THR   9  -7.599  -5.937  -0.558
   68   1HG2  THR   9          1HG2      THR   9  -3.946  -6.015  -0.084
   69   2HG2  THR   9          2HG2      THR   9  -3.996  -4.491  -1.004
   70   3HG2  THR   9          3HG2      THR   9  -4.984  -4.676   0.465
   71    H    CYS  10           HN       CYS  10  -7.032  -3.650  -4.370
   72    HA   CYS  10           HA       CYS  10  -6.851  -1.267  -2.768
   73   1HB   CYS  10          2HB       CYS  10  -4.732  -1.610  -4.394
   74   2HB   CYS  10          3HB       CYS  10  -5.834  -0.881  -5.546
   75    H    ILE  11           HN       ILE  11  -8.804  -0.212  -3.010
   76    HA   ILE  11           HA       ILE  11 -10.340  -0.864  -5.428
   77    HB   ILE  11           HB       ILE  11 -12.312  -0.883  -4.186
   78   1HG1  ILE  11          2HG1      ILE  11 -11.756   1.173  -2.848
   79   2HG1  ILE  11          3HG1      ILE  11 -12.632  -0.074  -1.982
   80   1HG2  ILE  11          1HG2      ILE  11 -11.325  -2.279  -2.002
   81   2HG2  ILE  11          2HG2      ILE  11 -11.733  -2.952  -3.599
   82   3HG2  ILE  11          3HG2      ILE  11 -10.058  -2.469  -3.238
   83   1HD1  ILE  11          1HD1      ILE  11  -9.953  -0.781  -1.560
   84   2HD1  ILE  11          2HD1      ILE  11  -9.939   0.998  -1.487
   85   3HD1  ILE  11          3HD1      ILE  11 -11.005   0.072  -0.403
   86    H    GLY  12           HN       GLY  12  -9.149   1.602  -3.158
   87   1HA   GLY  12          1HA       GLY  12  -8.673   3.704  -4.477
   88   2HA   GLY  12          2HA       GLY  12 -10.387   3.691  -4.842
   89    H    CYS  13           HN       CYS  13  -8.580   2.896  -1.790
   90    HA   CYS  13           HA       CYS  13 -10.305   4.844  -0.457
   91   1HB   CYS  13          2HB       CYS  13 -10.440   3.475   1.338
   92   2HB   CYS  13          3HB       CYS  13 -10.045   2.233   0.167
   93    H    THR  14           HN       THR  14  -9.338   6.543   0.726
   94    HA   THR  14           HA       THR  14  -6.568   7.051   0.098
   95    HB   THR  14           HB       THR  14  -7.125   9.248   1.190
   96    HG1  THR  14           1HG      THR  14  -8.667   7.972   2.678
   97   1HG2  THR  14          1HG2      THR  14  -8.240   9.931  -0.688
   98   2HG2  THR  14          2HG2      THR  14  -8.332   8.220  -1.171
   99   3HG2  THR  14          3HG2      THR  14  -9.663   8.957  -0.248
  100    H    GLN  15           HN       GLN  15  -6.045   4.913   1.321
  101    HA   GLN  15           HA       GLN  15  -5.115   5.799   3.895
  102   1HB   GLN  15          2HB       GLN  15  -6.430   4.480   5.176
  103   2HB   GLN  15          3HB       GLN  15  -7.433   4.236   3.760
  104   1HG   GLN  15          2HG       GLN  15  -5.838   2.313   3.115
  105   2HG   GLN  15          3HG       GLN  15  -5.128   2.480   4.709
  106   1HE2  GLN  15          1HE2      GLN  15  -6.104   0.123   4.225
  107   2HE2  GLN  15          2HE2      GLN  15  -7.621  -0.181   5.003
  108    H    CYS  16           HN       CYS  16  -3.097   4.912   4.418
  109    HA   CYS  16           HA       CYS  16  -1.387   3.467   4.318
  110   1HB   CYS  16          2HB       CYS  16  -1.482   1.434   3.314
  111   2HB   CYS  16          3HB       CYS  16  -3.192   1.808   3.225
  112    H    VAL  17           HN       VAL  17  -2.804   4.844   1.308
  113    HA   VAL  17           HA       VAL  17  -0.128   5.373   0.286
  114    HB   VAL  17           HB       VAL  17  -2.856   5.813  -0.943
  115   1HG1  VAL  17          1HG1      VAL  17  -1.575   7.174  -2.250
  116   2HG1  VAL  17          2HG1      VAL  17  -0.065   6.316  -1.862
  117   3HG1  VAL  17          3HG1      VAL  17  -1.200   5.628  -3.048
  118   1HG2  VAL  17          1HG2      VAL  17  -2.863   3.548  -0.982
  119   2HG2  VAL  17          2HG2      VAL  17  -1.768   3.778  -2.366
  120   3HG2  VAL  17          3HG2      VAL  17  -1.101   3.429  -0.754
  121    H    ARG  18           HN       ARG  18  -1.866   6.704   2.638
  122    HA   ARG  18           HA       ARG  18  -1.097   9.373   1.796
  123   1HB   ARG  18          2HB       ARG  18  -3.787   8.421   2.431
  124   2HB   ARG  18          3HB       ARG  18  -3.314   9.658   3.578
  125   1HG   ARG  18          2HG       ARG  18  -4.334  10.824   1.741
  126   2HG   ARG  18          3HG       ARG  18  -2.611  11.109   1.590
  127   1HD   ARG  18          2HD       ARG  18  -2.916   8.764   0.128
  128   2HD   ARG  18          3HD       ARG  18  -4.433   9.579  -0.194
  129    HE   ARG  18           HE       ARG  18  -1.732  10.528  -0.952
  130   1HH1  ARG  18          1HH1      ARG  18  -3.086  13.104  -2.877
  131   2HH1  ARG  18          2HH1      ARG  18  -1.643  12.241  -2.462
  132   1HH2  ARG  18          1HH2      ARG  18  -5.109  12.521  -1.899
  133   2HH2  ARG  18          2HH2      ARG  18  -5.176  11.224  -0.754
  134    H    ALA  19           HN       ALA  19  -2.135   7.220   4.529
  135    HA   ALA  19           HA       ALA  19  -1.462   8.638   6.692
  136   1HB   ALA  19          1HB       ALA  19  -1.993   5.981   6.097
  137   2HB   ALA  19          2HB       ALA  19  -0.357   5.911   6.794
  138   3HB   ALA  19          3HB       ALA  19  -1.690   6.639   7.723
  139    H    CYS  20           HN       CYS  20   0.885   6.663   4.737
  140    HA   CYS  20           HA       CYS  20   3.147   7.085   6.071
  141   1HB   CYS  20          2HB       CYS  20   2.926   5.817   3.938
  142   2HB   CYS  20          3HB       CYS  20   2.897   7.330   3.055
  143    HA   PRO  21           HA       PRO  21   3.390  11.482   6.109
  144   1HB   PRO  21          2HB       PRO  21   5.528  11.701   7.798
  145   2HB   PRO  21          3HB       PRO  21   3.876  11.534   8.359
  146   1HG   PRO  21          2HG       PRO  21   6.037   9.516   8.326
  147   2HG   PRO  21          3HG       PRO  21   4.545   9.514   9.248
  148   1HD   PRO  21          2HD       PRO  21   5.107   7.981   6.890
  149   2HD   PRO  21          3HD       PRO  21   3.580   8.067   7.745
  150    H    LEU  22           HN       LEU  22   6.464   9.738   5.946
  151    HA   LEU  22           HA       LEU  22   7.675  11.794   4.435
  152   1HB   LEU  22          2HB       LEU  22   9.392   9.956   4.019
  153   2HB   LEU  22          3HB       LEU  22   9.141  10.513   5.661
  154    HG   LEU  22           HG       LEU  22   7.439   8.228   5.005
  155   1HD1  LEU  22          1HD1      LEU  22   9.343   7.703   3.515
  156   2HD1  LEU  22          2HD1      LEU  22  10.434   7.777   4.920
  157   3HD1  LEU  22          3HD1      LEU  22   9.158   6.538   4.849
  158   1HD2  LEU  22          1HD2      LEU  22   7.611   8.786   7.263
  159   2HD2  LEU  22          2HD2      LEU  22   8.666   7.361   7.097
  160   3HD2  LEU  22          3HD2      LEU  22   9.378   8.990   7.182
  161    H    ASP  23           HN       ASP  23   5.220   9.592   3.669
  162    HA   ASP  23           HA       ASP  23   4.254   9.030   1.812
  163   1HB   ASP  23          2HB       ASP  23   5.943  11.338   0.908
  164   2HB   ASP  23          3HB       ASP  23   5.316  10.306  -0.363
  165    H    VAL  24           HN       VAL  24   4.951   6.856   1.563
  166    HA   VAL  24           HA       VAL  24   7.396   6.493  -0.029
  167    HB   VAL  24           HB       VAL  24   6.253   4.862   2.239
  168   1HG1  VAL  24          1HG1      VAL  24   8.424   3.462   1.725
  169   2HG1  VAL  24          2HG1      VAL  24   6.911   3.141   0.844
  170   3HG1  VAL  24          3HG1      VAL  24   8.199   4.103   0.080
  171   1HG2  VAL  24          1HG2      VAL  24   8.716   5.177   3.015
  172   2HG2  VAL  24          2HG2      VAL  24   8.746   6.508   1.833
  173   3HG2  VAL  24          3HG2      VAL  24   7.578   6.536   3.176
  174    H    LEU  25           HN       LEU  25   4.235   4.955   0.899
  175    HA   LEU  25           HA       LEU  25   4.085   3.146  -1.138
  176   1HB   LEU  25          2HB       LEU  25   1.796   4.728   0.036
  177   2HB   LEU  25          3HB       LEU  25   1.684   3.187  -0.790
  178    HG   LEU  25           HG       LEU  25   3.385   2.455   1.145
  179   1HD1  LEU  25          1HD1      LEU  25   3.718   4.100   2.619
  180   2HD1  LEU  25          2HD1      LEU  25   2.334   5.046   2.021
  181   3HD1  LEU  25          3HD1      LEU  25   2.075   3.736   3.198
  182   1HD2  LEU  25          1HD2      LEU  25   1.307   1.803   2.487
  183   2HD2  LEU  25          2HD2      LEU  25   0.373   2.619   1.209
  184   3HD2  LEU  25          3HD2      LEU  25   1.414   1.232   0.804
  185    H    GLU  26           HN       GLU  26   3.721   3.180  -3.318
  186    HA   GLU  26           HA       GLU  26   2.769   5.680  -4.433
  187   1HB   GLU  26          2HB       GLU  26   5.248   4.209  -5.434
  188   2HB   GLU  26          3HB       GLU  26   4.520   5.603  -6.206
  189   1HG   GLU  26          2HG       GLU  26   4.886   6.313  -3.458
  190   2HG   GLU  26          3HG       GLU  26   6.368   5.522  -3.960
  191    H    MET  27           HN       MET  27   2.930   5.015  -7.161
  192    HA   MET  27           HA       MET  27   0.919   2.970  -7.236
  193   1HB   MET  27          2HB       MET  27   0.737   3.724  -9.649
  194   2HB   MET  27          3HB       MET  27   0.578   5.053  -8.518
  195   1HG   MET  27          2HG       MET  27   2.394   6.099  -9.399
  196   2HG   MET  27          3HG       MET  27   3.393   4.681  -9.146
  197   1HE   MET  27          1HE       MET  27   4.748   4.895 -10.765
  198   2HE   MET  27          2HE       MET  27   4.433   3.482 -11.801
  199   3HE   MET  27          3HE       MET  27   4.474   5.114 -12.510
  200    H    VAL  28           HN       VAL  28   1.128   0.920  -8.141
  201    HA   VAL  28           HA       VAL  28   3.776   0.305  -9.260
  202    HB   VAL  28           HB       VAL  28   3.872  -1.660  -8.086
  203   1HG1  VAL  28          1HG1      VAL  28   4.113   0.120  -6.487
  204   2HG1  VAL  28          2HG1      VAL  28   2.349   0.262  -6.299
  205   3HG1  VAL  28          3HG1      VAL  28   3.191  -1.193  -5.716
  206   1HG2  VAL  28          1HG2      VAL  28   0.971  -1.657  -8.417
  207   2HG2  VAL  28          2HG2      VAL  28   2.102  -3.021  -8.247
  208   3HG2  VAL  28          3HG2      VAL  28   1.465  -2.207  -6.797
  209    HA   PRO  29           HA       PRO  29   1.699  -1.403 -12.644
  210   1HB   PRO  29          2HB       PRO  29   3.097  -3.667 -13.269
  211   2HB   PRO  29          3HB       PRO  29   3.648  -2.055 -13.683
  212   1HG   PRO  29          2HG       PRO  29   4.625  -3.857 -11.552
  213   2HG   PRO  29          3HG       PRO  29   5.413  -2.457 -12.253
  214   1HD   PRO  29          2HD       PRO  29   4.100  -2.592  -9.706
  215   2HD   PRO  29          3HD       PRO  29   4.786  -1.165 -10.458
  216    H    TRP  30           HN       TRP  30  -0.385  -1.940 -12.494
  217    HA   TRP  30           HA       TRP  30  -0.838  -4.598 -11.314
  218   1HB   TRP  30          2HB       TRP  30  -1.612  -2.767  -9.859
  219   2HB   TRP  30          3HB       TRP  30  -2.630  -2.168 -11.153
  220    HD1  TRP  30           HD1      TRP  30  -5.090  -2.832 -10.606
  221    HE1  TRP  30           HE1      TRP  30  -6.426  -4.915  -9.686
  222    HE3  TRP  30           HE3      TRP  30  -1.008  -5.746  -9.770
  223    HZ2  TRP  30           HZ2      TRP  30  -5.643  -7.488  -8.734
  224    HZ3  TRP  30           HZ3      TRP  30  -1.381  -8.030  -8.844
  225    HH2  TRP  30           HH2      TRP  30  -3.601  -8.912  -8.330
  226    H    ASP  31           HN       ASP  31  -3.741  -3.340 -12.365
  227    HA   ASP  31           HA       ASP  31  -3.677  -3.278 -15.053
  228   1HB   ASP  31          2HB       ASP  31  -2.935  -5.859 -14.292
  229   2HB   ASP  31          3HB       ASP  31  -4.655  -6.039 -14.571
  230    H    GLY  32           HN       GLY  32  -5.252  -4.847 -12.201
  231   1HA   GLY  32          1HA       GLY  32  -7.894  -4.858 -13.086
  232   2HA   GLY  32          2HA       GLY  32  -7.357  -4.807 -11.419
  233    H    CYS  33           HN       CYS  33  -5.785  -2.187 -12.271
  234    HA   CYS  33           HA       CYS  33  -7.927  -0.455 -11.483
  235   1HB   CYS  33          2HB       CYS  33  -5.149  -0.462 -11.130
  236   2HB   CYS  33          3HB       CYS  33  -5.440   0.884 -12.213
  237    HG   CYS  33           HG       CYS  33  -5.360   1.499  -9.554
  238    H    LYS  34           HN       LYS  34  -8.174   1.710 -12.757
  239    HA   LYS  34           HA       LYS  34  -8.881   1.068 -15.408
  240   1HB   LYS  34          2HB       LYS  34  -9.159   3.311 -13.555
  241   2HB   LYS  34          3HB       LYS  34  -8.876   3.846 -15.198
  242   1HG   LYS  34          2HG       LYS  34 -10.752   1.618 -15.215
  243   2HG   LYS  34          3HG       LYS  34 -11.309   2.839 -14.088
  244   1HD   LYS  34          2HD       LYS  34 -10.347   3.666 -16.843
  245   2HD   LYS  34          3HD       LYS  34 -11.962   3.018 -16.647
  246   1HE   LYS  34          2HE       LYS  34 -12.221   4.777 -14.721
  247   2HE   LYS  34          3HE       LYS  34 -10.790   5.530 -15.396
  248   1HZ   LYS  34          1HZ       LYS  34 -13.245   6.015 -16.237
  249   2HZ   LYS  34          2HZ       LYS  34 -11.922   6.218 -17.172
  250   3HZ   LYS  34          3HZ       LYS  34 -12.819   4.860 -17.309
  251    H    ALA  35           HN       ALA  35  -5.959   2.300 -13.864
  252    HA   ALA  35           HA       ALA  35  -4.845   2.829 -16.532
  253   1HB   ALA  35          1HB       ALA  35  -4.724   4.219 -13.965
  254   2HB   ALA  35          2HB       ALA  35  -3.099   3.843 -14.588
  255   3HB   ALA  35          3HB       ALA  35  -4.239   4.779 -15.584
  256    H    GLY  36           HN       GLY  36  -5.251   0.287 -14.636
  257   1HA   GLY  36          1HA       GLY  36  -4.117  -1.607 -14.223
  258   2HA   GLY  36          2HA       GLY  36  -3.069  -1.164 -15.555
  259    H    GLN  37           HN       GLN  37  -3.544   0.727 -12.525
  260    HA   GLN  37           HA       GLN  37  -0.913  -0.137 -11.667
  261   1HB   GLN  37          2HB       GLN  37  -0.267   2.233 -11.186
  262   2HB   GLN  37          3HB       GLN  37  -0.466   1.917 -12.897
  263   1HG   GLN  37          2HG       GLN  37  -1.903   3.671 -12.963
  264   2HG   GLN  37          3HG       GLN  37  -3.044   2.679 -12.076
  265   1HE2  GLN  37          1HE2      GLN  37  -3.726   3.370 -10.196
  266   2HE2  GLN  37          2HE2      GLN  37  -2.989   4.575  -9.193
  267    H    ILE  38           HN       ILE  38  -1.058  -0.803  -9.571
  268    HA   ILE  38           HA       ILE  38  -3.286   0.264  -8.000
  269    HB   ILE  38           HB       ILE  38  -2.923  -2.245  -8.520
  270   1HG1  ILE  38          2HG1      ILE  38  -3.388  -2.363  -5.731
  271   2HG1  ILE  38          3HG1      ILE  38  -3.999  -0.809  -6.261
  272   1HG2  ILE  38          1HG2      ILE  38  -0.793  -1.728  -6.451
  273   2HG2  ILE  38          2HG2      ILE  38  -1.576  -3.317  -6.619
  274   3HG2  ILE  38          3HG2      ILE  38  -0.677  -2.619  -7.987
  275   1HD1  ILE  38          1HD1      ILE  38  -5.716  -2.624  -6.436
  276   2HD1  ILE  38          2HD1      ILE  38  -5.357  -1.883  -8.013
  277   3HD1  ILE  38          3HD1      ILE  38  -4.669  -3.471  -7.599
  278    H    ALA  39           HN       ALA  39  -2.938   1.465  -6.172
  279    HA   ALA  39           HA       ALA  39  -0.298   2.454  -5.770
  280   1HB   ALA  39          1HB       ALA  39  -1.337   3.986  -4.311
  281   2HB   ALA  39          2HB       ALA  39  -2.601   3.639  -5.515
  282   3HB   ALA  39          3HB       ALA  39  -2.657   2.859  -3.917
  283    H    SER  40           HN       SER  40   1.211   1.074  -4.923
  284    HA   SER  40           HA       SER  40   0.534  -0.042  -2.341
  285   1HB   SER  40          2HB       SER  40   1.500  -1.602  -4.753
  286   2HB   SER  40          3HB       SER  40   1.894  -2.152  -3.136
  287    HG   SER  40           HG       SER  40  -0.688  -1.895  -4.372
  288    H    SER  41           HN       SER  41   2.804  -1.179  -1.506
  289    HA   SER  41           HA       SER  41   4.876   0.761  -2.184
  290   1HB   SER  41          2HB       SER  41   3.652   0.720   0.212
  291   2HB   SER  41          3HB       SER  41   4.819  -0.548   0.526
  292    HG   SER  41           HG       SER  41   5.388   1.849   0.966
  293    HA   PRO  42           HA       PRO  42   6.480  -3.382  -3.025
  294   1HB   PRO  42          2HB       PRO  42   7.628  -2.820  -5.442
  295   2HB   PRO  42          3HB       PRO  42   6.000  -3.448  -5.276
  296   1HG   PRO  42          2HG       PRO  42   6.867  -0.699  -5.928
  297   2HG   PRO  42          3HG       PRO  42   5.299  -1.442  -6.172
  298   1HD   PRO  42          2HD       PRO  42   6.016   0.417  -4.108
  299   2HD   PRO  42          3HD       PRO  42   4.484  -0.415  -4.283
  300    H    ARG  43           HN       ARG  43   8.365  -0.623  -4.197
  301    HA   ARG  43           HA       ARG  43  10.659  -1.828  -2.987
  302   1HB   ARG  43          2HB       ARG  43  10.241   0.711  -4.635
  303   2HB   ARG  43          3HB       ARG  43  11.802   0.280  -3.967
  304   1HG   ARG  43          2HG       ARG  43  11.846  -1.815  -5.232
  305   2HG   ARG  43          3HG       ARG  43  10.188  -1.593  -5.756
  306   1HD   ARG  43          2HD       ARG  43  10.787   0.333  -7.124
  307   2HD   ARG  43          3HD       ARG  43  12.394   0.406  -6.430
  308    HE   ARG  43           HE       ARG  43  11.956  -2.189  -7.614
  309   1HH1  ARG  43          1HH1      ARG  43  13.561  -1.449 -10.622
  310   2HH1  ARG  43          2HH1      ARG  43  12.961  -2.711  -9.599
  311   1HH2  ARG  43          1HH2      ARG  43  13.346   0.769  -9.978
  312   2HH2  ARG  43          2HH2      ARG  43  12.585   1.165  -8.473
  313    H    THR  44           HN       THR  44  10.098  -1.651  -0.703
  314    HA   THR  44           HA       THR  44   9.587   0.988   0.367
  315    HB   THR  44           HB       THR  44   9.966  -1.745   1.703
  316    HG1  THR  44           1HG      THR  44   7.599  -0.166   0.993
  317   1HG2  THR  44          1HG2      THR  44   8.472  -0.673   3.456
  318   2HG2  THR  44          2HG2      THR  44  10.087   0.070   3.366
  319   3HG2  THR  44          3HG2      THR  44   8.690   0.884   2.622
  320    H    GLU  45           HN       GLU  45  12.222   0.163  -1.033
  321    HA   GLU  45           HA       GLU  45  14.243  -0.119   0.715
  322   1HB   GLU  45          2HB       GLU  45  15.679   0.821  -0.974
  323   2HB   GLU  45          3HB       GLU  45  14.372   0.011  -1.814
  324   1HG   GLU  45          2HG       GLU  45  13.225   2.118  -2.238
  325   2HG   GLU  45          3HG       GLU  45  14.307   2.992  -1.171
  326    H    ASP  46           HN       ASP  46  12.145   2.678   0.267
  327    HA   ASP  46           HA       ASP  46  13.904   4.202   2.016
  328   1HB   ASP  46          2HB       ASP  46  12.000   4.907  -0.183
  329   2HB   ASP  46          3HB       ASP  46  11.991   5.997   1.189
  330    H    CYS  47           HN       CYS  47  13.112   3.216   4.011
  331    HA   CYS  47           HA       CYS  47  11.023   4.440   5.245
  332   1HB   CYS  47          2HB       CYS  47   9.285   3.542   4.021
  333   2HB   CYS  47          3HB       CYS  47  10.119   2.033   3.712
  334    H    VAL  48           HN       VAL  48  10.877   3.680   7.469
  335    HA   VAL  48           HA       VAL  48  12.415   1.296   8.110
  336    HB   VAL  48           HB       VAL  48  13.972   3.252   8.066
  337   1HG1  VAL  48          1HG1      VAL  48  13.427   4.480  10.528
  338   2HG1  VAL  48          2HG1      VAL  48  13.262   5.196   8.907
  339   3HG1  VAL  48          3HG1      VAL  48  11.861   4.420   9.683
  340   1HG2  VAL  48          1HG2      VAL  48  14.397   2.786  10.783
  341   2HG2  VAL  48          2HG2      VAL  48  13.535   1.333  10.221
  342   3HG2  VAL  48          3HG2      VAL  48  15.047   1.835   9.425
  343    H    GLY  49           HN       GLY  49   9.683   1.411   8.105
  344   1HA   GLY  49          1HA       GLY  49   7.807   1.454   9.392
  345   2HA   GLY  49          2HA       GLY  49   8.828   0.513  10.461
  346    H    CYS  50           HN       CYS  50   7.695   3.833   9.683
  347    HA   CYS  50           HA       CYS  50   8.800   4.816  12.166
  348   1HB   CYS  50          2HB       CYS  50   8.240   6.993  11.407
  349   2HB   CYS  50          3HB       CYS  50   8.887   6.142  10.019
  350    H    LYS  51           HN       LYS  51   6.985   2.734  12.614
  351    HA   LYS  51           HA       LYS  51   4.963   2.184  13.405
  352   1HB   LYS  51          2HB       LYS  51   6.312   4.080  15.092
  353   2HB   LYS  51          3HB       LYS  51   4.583   4.309  15.259
  354   1HG   LYS  51          2HG       LYS  51   4.344   1.797  15.588
  355   2HG   LYS  51          3HG       LYS  51   6.092   1.673  15.576
  356   1HD   LYS  51          2HD       LYS  51   4.839   3.672  17.456
  357   2HD   LYS  51          3HD       LYS  51   4.710   1.973  17.866
  358   1HE   LYS  51          2HE       LYS  51   6.839   2.001  18.645
  359   2HE   LYS  51          3HE       LYS  51   7.420   2.394  17.039
  360   1HZ   LYS  51          1HZ       LYS  51   7.765   4.470  17.660
  361   2HZ   LYS  51          2HZ       LYS  51   6.283   4.643  18.323
  362   3HZ   LYS  51          3HZ       LYS  51   7.504   4.011  19.205
  363    H    ARG  52           HN       ARG  52   4.206   2.895  11.083
  364    HA   ARG  52           HA       ARG  52   1.896   4.516  11.578
  365   1HB   ARG  52          2HB       ARG  52   4.093   5.768  10.447
  366   2HB   ARG  52          3HB       ARG  52   3.251   5.219   9.011
  367   1HG   ARG  52          2HG       ARG  52   1.934   7.059   9.223
  368   2HG   ARG  52          3HG       ARG  52   1.175   6.247  10.579
  369   1HD   ARG  52          2HD       ARG  52   2.680   7.319  12.172
  370   2HD   ARG  52          3HD       ARG  52   3.697   7.939  10.887
  371    HE   ARG  52           HE       ARG  52   1.174   8.980  10.315
  372   1HH1  ARG  52          1HH1      ARG  52   1.128  11.745  12.444
  373   2HH1  ARG  52          2HH1      ARG  52   0.442  11.025  11.025
  374   1HH2  ARG  52          1HH2      ARG  52   2.788  10.632  13.622
  375   2HH2  ARG  52          2HH2      ARG  52   3.343   9.082  13.083
  376    H    CYS  53           HN       CYS  53   1.325   4.762   8.648
  377    HA   CYS  53           HA       CYS  53   0.117   3.591   7.213
  378   1HB   CYS  53          2HB       CYS  53   1.438   1.539   6.261
  379   2HB   CYS  53          3HB       CYS  53   2.040   3.167   6.015
  380    H    GLU  54           HN       GLU  54  -0.568   3.081   9.968
  381    HA   GLU  54           HA       GLU  54  -0.772   0.262  10.291
  382   1HB   GLU  54          2HB       GLU  54  -1.931   0.812  12.385
  383   2HB   GLU  54          3HB       GLU  54  -0.487   1.791  12.226
  384   1HG   GLU  54          2HG       GLU  54  -1.672   3.751  12.041
  385   2HG   GLU  54          3HG       GLU  54  -2.901   3.032  11.019
  386    H    THR  55           HN       THR  55  -1.873   0.655   7.861
  387    HA   THR  55           HA       THR  55  -4.740   0.307   8.393
  388    HB   THR  55           HB       THR  55  -5.300   1.784   6.571
  389    HG1  THR  55           1HG      THR  55  -2.412   1.979   6.138
  390   1HG2  THR  55          1HG2      THR  55  -4.487   3.083   8.576
  391   2HG2  THR  55          2HG2      THR  55  -2.839   3.030   7.906
  392   3HG2  THR  55          3HG2      THR  55  -4.123   3.913   7.044
  393    H    ALA  56           HN       ALA  56  -2.271   0.088   5.737
  394    HA   ALA  56           HA       ALA  56  -1.835  -1.534   4.298
  395   1HB   ALA  56          1HB       ALA  56  -1.156  -3.040   5.910
  396   2HB   ALA  56          2HB       ALA  56  -2.731  -3.031   6.738
  397   3HB   ALA  56          3HB       ALA  56  -2.528  -3.944   5.224
  398    H    CYS  57           HN       CYS  57  -4.591  -3.447   5.486
  399    HA   CYS  57           HA       CYS  57  -6.588  -2.368   3.933
  400   1HB   CYS  57          2HB       CYS  57  -4.731  -3.415   2.201
  401   2HB   CYS  57          3HB       CYS  57  -5.820  -4.773   2.399
  402    HA   PRO  58           HA       PRO  58  -7.602  -5.685   6.827
  403   1HB   PRO  58          2HB       PRO  58  -9.491  -4.320   8.255
  404   2HB   PRO  58          3HB       PRO  58  -7.801  -4.378   8.713
  405   1HG   PRO  58          2HG       PRO  58  -9.310  -2.157   7.475
  406   2HG   PRO  58          3HG       PRO  58  -7.773  -2.106   8.317
  407   1HD   PRO  58          2HD       PRO  58  -8.181  -1.989   5.480
  408   2HD   PRO  58          3HD       PRO  58  -6.642  -2.053   6.316
  409    H    THR  59           HN       THR  59  -9.157  -7.271   6.746
  410    HA   THR  59           HA       THR  59 -10.950  -8.313   5.942
  411    HB   THR  59           HB       THR  59 -12.039  -5.476   5.545
  412    HG1  THR  59           1HG      THR  59 -11.978  -7.500   7.662
  413   1HG2  THR  59          1HG2      THR  59 -13.627  -7.985   6.195
  414   2HG2  THR  59          2HG2      THR  59 -14.213  -6.440   5.533
  415   3HG2  THR  59          3HG2      THR  59 -13.293  -7.559   4.499
  416    H    ASP  60           HN       ASP  60 -10.499  -5.381   3.845
  417    HA   ASP  60           HA       ASP  60 -11.311  -6.220   1.533
  418   1HB   ASP  60          2HB       ASP  60  -9.271  -4.425   2.432
  419   2HB   ASP  60          3HB       ASP  60  -8.573  -5.321   1.097
  420    H    PHE  61           HN       PHE  61  -8.166  -7.202   3.056
  421    HA   PHE  61           HA       PHE  61  -8.257  -9.752   1.845
  422   1HB   PHE  61          2HB       PHE  61  -6.922  -7.480   0.503
  423   2HB   PHE  61          3HB       PHE  61  -5.750  -8.719   0.902
  424    HD1  PHE  61           1HD      PHE  61  -6.518 -11.185   0.252
  425    HD2  PHE  61           2HD      PHE  61  -8.014  -7.633  -1.523
  426    HE1  PHE  61           1HE      PHE  61  -7.207 -12.490  -1.778
  427    HE2  PHE  61           2HE      PHE  61  -8.703  -8.938  -3.554
  428    HZ   PHE  61           HZ       PHE  61  -8.291 -11.351  -3.657
  429    H    LEU  62           HN       LEU  62  -5.390  -7.640   2.480
  430    HA   LEU  62           HA       LEU  62  -3.658  -7.986   3.835
  431   1HB   LEU  62          2HB       LEU  62  -6.066  -7.593   5.383
  432   2HB   LEU  62          3HB       LEU  62  -4.900  -8.532   6.291
  433    HG   LEU  62           HG       LEU  62  -4.504  -5.776   5.104
  434   1HD1  LEU  62          1HD1      LEU  62  -3.860  -5.763   7.814
  435   2HD1  LEU  62          2HD1      LEU  62  -5.339  -5.121   7.058
  436   3HD1  LEU  62          3HD1      LEU  62  -5.319  -6.778   7.707
  437   1HD2  LEU  62          1HD2      LEU  62  -2.267  -6.077   6.511
  438   2HD2  LEU  62          2HD2      LEU  62  -2.516  -7.781   6.061
  439   3HD2  LEU  62          3HD2      LEU  62  -2.381  -6.536   4.796
  440    H    SER  63           HN       SER  63  -2.781  -9.883   2.878
  441    HA   SER  63           HA       SER  63  -3.735 -12.417   3.433
  442   1HB   SER  63          2HB       SER  63  -1.328 -13.096   2.731
  443   2HB   SER  63          3HB       SER  63  -2.308 -12.233   1.562
  444    HG   SER  63           HG       SER  63  -0.726 -10.802   1.490
  445    H    ILE  64           HN       ILE  64  -0.335 -12.095   4.250
  446    HA   ILE  64           HA       ILE  64  -0.529 -11.747   7.005
  447    HB   ILE  64           HB       ILE  64  -1.799 -13.905   6.772
  448   1HG1  ILE  64          2HG1      ILE  64  -0.897 -13.202   8.902
  449   2HG1  ILE  64          3HG1      ILE  64  -0.711 -14.936   8.725
  450   1HG2  ILE  64          1HG2      ILE  64   0.345 -14.641   5.150
  451   2HG2  ILE  64          2HG2      ILE  64   0.577 -15.572   6.649
  452   3HG2  ILE  64          3HG2      ILE  64  -0.957 -15.694   5.754
  453   1HD1  ILE  64          1HD1      ILE  64   1.438 -12.803   8.399
  454   2HD1  ILE  64          2HD1      ILE  64   1.378 -14.121   9.593
  455   3HD1  ILE  64          3HD1      ILE  64   1.670 -14.488   7.876
  456    H    ARG  65           HN       ARG  65   1.198 -10.380   6.025
  457    HA   ARG  65           HA       ARG  65   3.591 -11.975   5.580
  458   1HB   ARG  65          2HB       ARG  65   2.587  -9.386   4.422
  459   2HB   ARG  65          3HB       ARG  65   4.317  -9.508   4.668
  460   1HG   ARG  65          2HG       ARG  65   3.800 -10.291   2.413
  461   2HG   ARG  65          3HG       ARG  65   4.335 -11.660   3.367
  462   1HD   ARG  65          2HD       ARG  65   1.951 -12.307   3.779
  463   2HD   ARG  65          3HD       ARG  65   1.412 -10.934   2.832
  464    HE   ARG  65           HE       ARG  65   3.027 -12.153   1.027
  465   1HH1  ARG  65          1HH1      ARG  65   1.317 -15.050   0.096
  466   2HH1  ARG  65          2HH1      ARG  65   2.521 -13.892  -0.366
  467   1HH2  ARG  65          1HH2      ARG  65   0.219 -14.833   2.129
  468   2HH2  ARG  65          2HH2      ARG  65   0.604 -13.514   3.185
  469    H    VAL  66           HN       VAL  66   5.113 -11.889   7.206
  470    HA   VAL  66           HA       VAL  66   4.796 -10.622   9.567
  471    HB   VAL  66           HB       VAL  66   7.307 -11.366   8.066
  472   1HG1  VAL  66          1HG1      VAL  66   6.988  -9.979  10.646
  473   2HG1  VAL  66          2HG1      VAL  66   7.997 -11.443  10.723
  474   3HG1  VAL  66          3HG1      VAL  66   8.414 -10.134   9.592
  475   1HG2  VAL  66          1HG2      VAL  66   7.023 -13.103  10.172
  476   2HG2  VAL  66          2HG2      VAL  66   5.330 -12.800   9.713
  477   3HG2  VAL  66          3HG2      VAL  66   6.484 -13.415   8.504
  478    H    TYR  67           HN       TYR  67   4.242  -8.502   9.821
  479    HA   TYR  67           HA       TYR  67   6.196  -6.545   8.948
  480   1HB   TYR  67          2HB       TYR  67   3.450  -7.047   7.850
  481   2HB   TYR  67          3HB       TYR  67   3.693  -5.383   8.343
  482    HD1  TYR  67           HD1      TYR  67   5.343  -3.955   7.197
  483    HD2  TYR  67           HD2      TYR  67   4.640  -7.984   5.940
  484    HE1  TYR  67           HE1      TYR  67   6.526  -3.482   4.996
  485    HE2  TYR  67           HE2      TYR  67   5.825  -7.498   3.745
  486    HH   TYR  67           HH       TYR  67   7.602  -5.865   2.983
  487    H    LEU  68           HN       LEU  68   4.640  -4.241   9.523
  488    HA   LEU  68           HA       LEU  68   5.042  -3.711  12.057
  489   1HB   LEU  68          2HB       LEU  68   3.056  -2.842  10.087
  490   2HB   LEU  68          3HB       LEU  68   2.559  -2.566  11.745
  491    HG   LEU  68           HG       LEU  68   3.603  -0.581  11.204
  492   1HD1  LEU  68          1HD1      LEU  68   5.210  -0.387  12.779
  493   2HD1  LEU  68          2HD1      LEU  68   4.728  -2.058  13.159
  494   3HD1  LEU  68          3HD1      LEU  68   6.158  -1.753  12.145
  495   1HD2  LEU  68          1HD2      LEU  68   4.883  -2.115   9.194
  496   2HD2  LEU  68          2HD2      LEU  68   4.830  -0.345   9.373
  497   3HD2  LEU  68          3HD2      LEU  68   6.158  -1.275  10.111
  498    H    GLY  69           HN       GLY  69   4.547  -4.487  14.041
  499   1HA   GLY  69          1HA       GLY  69   3.377  -5.492  15.694
  500   2HA   GLY  69          2HA       GLY  69   1.966  -5.544  14.656
  501    H    ALA  70           HN       ALA  70   5.257  -6.925  14.052
  502    HA   ALA  70           HA       ALA  70   4.595  -9.550  14.755
  503   1HB   ALA  70          1HB       ALA  70   3.030  -9.323  12.827
  504   2HB   ALA  70          2HB       ALA  70   4.416  -8.950  11.774
  505   3HB   ALA  70          3HB       ALA  70   4.287 -10.550  12.543
  506    H    GLU  71           HN       GLU  71   6.334  -7.604  12.225
  507    HA   GLU  71           HA       GLU  71   8.576  -9.262  12.266
  508   1HB   GLU  71          2HB       GLU  71   9.657  -7.456  10.970
  509   2HB   GLU  71          3HB       GLU  71   8.039  -7.770  10.376
  510   1HG   GLU  71          2HG       GLU  71   7.146  -5.798  11.417
  511   2HG   GLU  71          3HG       GLU  71   8.544  -5.610  12.457
  512    H    THR  72           HN       THR  72  10.825  -7.611  12.566
  513    HA   THR  72           HA       THR  72  12.264  -7.306  14.294
  514    HB   THR  72           HB       THR  72  11.213  -5.069  13.477
  515    HG1  THR  72           1HG      THR  72  12.216  -5.458  16.211
  516   1HG2  THR  72          1HG2      THR  72   9.383  -5.743  15.643
  517   2HG2  THR  72          2HG2      THR  72  10.300  -4.280  16.074
  518   3HG2  THR  72          3HG2      THR  72   9.349  -4.325  14.569
  519    H    THR  73           HN       THR  73  10.634  -9.454  14.988
  520    HA   THR  73           HA       THR  73  10.060  -8.888  17.822
  521    HB   THR  73           HB       THR  73   8.876 -10.780  15.751
  522    HG1  THR  73           1HG      THR  73   7.594  -9.256  17.852
  523   1HG2  THR  73          1HG2      THR  73   7.554 -11.802  17.583
  524   2HG2  THR  73          2HG2      THR  73   9.286 -12.121  17.848
  525   3HG2  THR  73          3HG2      THR  73   8.460 -10.853  18.786
  526    H    ARG  74           HN       ARG  74  11.540 -11.258  15.534
  527    HA   ARG  74           HA       ARG  74  13.003 -12.251  17.845
  528   1HB   ARG  74          2HB       ARG  74  13.333 -14.346  16.518
  529   2HB   ARG  74          3HB       ARG  74  11.633 -13.989  16.745
  530   1HG   ARG  74          2HG       ARG  74  12.935 -12.849  14.287
  531   2HG   ARG  74          3HG       ARG  74  12.695 -14.585  14.318
  532   1HD   ARG  74          2HD       ARG  74  10.297 -13.190  15.276
  533   2HD   ARG  74          3HD       ARG  74  10.758 -12.610  13.688
  534    HE   ARG  74           HE       ARG  74   9.841 -15.324  14.368
  535   1HH1  ARG  74          1HH1      ARG  74   9.986 -16.359  11.039
  536   2HH1  ARG  74          2HH1      ARG  74   9.431 -16.752  12.632
  537   1HH2  ARG  74          1HH2      ARG  74  11.145 -14.383  10.668
  538   2HH2  ARG  74          2HH2      ARG  74  11.456 -13.300  11.984
  539    H    SER  75           HN       SER  75  13.150 -10.667  14.719
  540    HA   SER  75           HA       SER  75  16.052 -10.963  14.752
  541   1HB   SER  75          2HB       SER  75  14.538 -11.733  12.712
  542   2HB   SER  75          3HB       SER  75  14.510 -10.024  12.326
  543    HG   SER  75           HG       SER  75  16.773 -11.801  12.452
  544    H    MET  76           HN       MET  76  14.103  -9.031  16.195
  545    HA   MET  76           HA       MET  76  13.879  -6.604  15.244
  546   1HB   MET  76          2HB       MET  76  14.527  -5.802  17.629
  547   2HB   MET  76          3HB       MET  76  13.294  -7.046  17.548
  548   1HG   MET  76          2HG       MET  76  15.406  -8.694  17.701
  549   2HG   MET  76          3HG       MET  76  16.183  -7.290  18.408
  550   1HE   MET  76          1HE       MET  76  15.062  -7.235  21.899
  551   2HE   MET  76          2HE       MET  76  16.460  -7.685  20.891
  552   3HE   MET  76          3HE       MET  76  15.576  -6.174  20.565
  553    H    GLY  77           HN       GLY  77  16.990  -7.893  16.600
  554   1HA   GLY  77          1HA       GLY  77  18.634  -6.642  14.740
  555   2HA   GLY  77          2HA       GLY  77  18.486  -5.545  16.098
  556    H    LEU  78           HN       LEU  78  18.126  -7.607  18.172
  557    HA   LEU  78           HA       LEU  78  20.874  -8.638  18.179
  558   1HB   LEU  78          2HB       LEU  78  20.806  -7.188  19.938
  559   2HB   LEU  78          3HB       LEU  78  19.104  -7.458  20.257
  560    HG   LEU  78           HG       LEU  78  20.676  -8.282  22.027
  561   1HD1  LEU  78          1HD1      LEU  78  18.280  -9.235  21.304
  562   2HD1  LEU  78          2HD1      LEU  78  19.250 -10.711  21.075
  563   3HD1  LEU  78          3HD1      LEU  78  19.222  -9.901  22.661
  564   1HD2  LEU  78          1HD2      LEU  78  21.768 -10.506  21.589
  565   2HD2  LEU  78          2HD2      LEU  78  21.458 -10.240  19.856
  566   3HD2  LEU  78          3HD2      LEU  78  22.506  -9.116  20.756
  567    H    ALA  79           HN       ALA  79  17.546  -9.394  19.440
  568    HA   ALA  79           HA       ALA  79  17.857 -11.948  20.168
  569   1HB   ALA  79          1HB       ALA  79  15.452 -11.941  18.701
  570   2HB   ALA  79          2HB       ALA  79  15.660 -11.542  20.423
  571   3HB   ALA  79          3HB       ALA  79  15.701 -10.250  19.200
  572    H    TYR  80           HN       TYR  80  17.947 -10.652  16.852
  573    HA   TYR  80           HA       TYR  80  17.480 -12.697  15.237
  574   1HB   TYR  80          2HB       TYR  80  18.880 -11.448  13.798
  575   2HB   TYR  80          3HB       TYR  80  18.791 -10.296  15.117
  576    HD1  TYR  80           HD1      TYR  80  20.906 -12.830  13.468
  577    HD2  TYR  80           HD2      TYR  80  20.705  -9.867  16.547
  578    HE1  TYR  80           HE1      TYR  80  23.435 -12.908  13.718
  579    HE2  TYR  80           HE2      TYR  80  23.235  -9.956  16.787
  580    HH   TYR  80           HH       TYR  80  25.161 -10.560  15.309
  Start of MODEL   14
    1    H    SER   1           HN       SER   1   7.340  -3.700   3.622
    2    HA   SER   1           HA       SER   1   9.318  -4.802   5.275
    3   1HB   SER   1          2HB       SER   1   9.668  -2.055   4.799
    4   2HB   SER   1          3HB       SER   1   8.834  -2.101   6.340
    5    HG   SER   1           HG       SER   1  10.482  -3.453   7.197
    6    H    HIS   2           HN       HIS   2   8.397  -3.410   7.728
    7    HA   HIS   2           HA       HIS   2   6.357  -4.940   8.512
    8   1HB   HIS   2          2HB       HIS   2   6.466  -2.062   9.391
    9   2HB   HIS   2          3HB       HIS   2   6.062  -3.486  10.331
   10    HD1  HIS   2           HD1      HIS   2   8.273  -5.284  10.461
   11    HD2  HIS   2           HD2      HIS   2   8.997  -1.192   9.893
   12    HE1  HIS   2           HE1      HIS   2  10.697  -4.884  11.153
   13    H    SER   3           HN       SER   3   4.140  -5.081   8.290
   14    HA   SER   3           HA       SER   3   2.256  -4.876   7.199
   15   1HB   SER   3          2HB       SER   3   1.010  -2.940   7.757
   16   2HB   SER   3          3HB       SER   3   2.225  -3.039   9.015
   17    HG   SER   3           HG       SER   3   2.611  -1.000   8.446
   18    H    VAL   4           HN       VAL   4   1.240  -2.433   5.757
   19    HA   VAL   4           HA       VAL   4   1.053  -2.134   3.513
   20    HB   VAL   4           HB       VAL   4   2.616  -0.438   2.822
   21   1HG1  VAL   4          1HG1      VAL   4   2.403   0.037   5.782
   22   2HG1  VAL   4          2HG1      VAL   4   2.099   1.148   4.426
   23   3HG1  VAL   4          3HG1      VAL   4   0.923  -0.133   4.807
   24   1HG2  VAL   4          1HG2      VAL   4   4.781  -0.976   3.248
   25   2HG2  VAL   4          2HG2      VAL   4   4.498   0.005   4.706
   26   3HG2  VAL   4          3HG2      VAL   4   4.398  -1.771   4.794
   27    H    LYS   5           HN       LYS   5   1.484  -4.715   3.484
   28    HA   LYS   5           HA       LYS   5   3.932  -5.602   2.476
   29   1HB   LYS   5          2HB       LYS   5   2.434  -7.558   1.670
   30   2HB   LYS   5          3HB       LYS   5   2.613  -7.268   3.390
   31   1HG   LYS   5          2HG       LYS   5   0.421  -6.618   3.648
   32   2HG   LYS   5          3HG       LYS   5   0.392  -5.738   2.133
   33   1HD   LYS   5          2HD       LYS   5  -1.112  -7.622   1.895
   34   2HD   LYS   5          3HD       LYS   5   0.294  -7.953   0.903
   35   1HE   LYS   5          2HE       LYS   5   1.205  -9.496   2.528
   36   2HE   LYS   5          3HE       LYS   5   0.083  -8.969   3.769
   37   1HZ   LYS   5          1HZ       LYS   5  -0.820 -10.905   2.949
   38   2HZ   LYS   5          2HZ       LYS   5  -1.684  -9.766   2.159
   39   3HZ   LYS   5          3HZ       LYS   5  -0.485 -10.563   1.388
   40    H    ILE   6           HN       ILE   6   3.918  -6.797   0.170
   41    HA   ILE   6           HA       ILE   6   3.196  -4.679  -1.721
   42    HB   ILE   6           HB       ILE   6   5.330  -6.806  -1.757
   43   1HG1  ILE   6          2HG1      ILE   6   6.597  -4.476  -2.221
   44   2HG1  ILE   6          3HG1      ILE   6   5.250  -3.866  -1.281
   45   1HG2  ILE   6          1HG2      ILE   6   3.948  -5.716  -3.994
   46   2HG2  ILE   6          2HG2      ILE   6   5.586  -5.018  -3.964
   47   3HG2  ILE   6          3HG2      ILE   6   5.370  -6.785  -3.972
   48   1HD1  ILE   6          1HD1      ILE   6   6.645  -4.408   0.474
   49   2HD1  ILE   6          2HD1      ILE   6   5.888  -6.005   0.265
   50   3HD1  ILE   6          3HD1      ILE   6   7.484  -5.677  -0.449
   51    H    TYR   7           HN       TYR   7   0.919  -5.526  -1.555
   52    HA   TYR   7           HA       TYR   7   0.630  -7.790  -3.406
   53   1HB   TYR   7          2HB       TYR   7  -0.539  -7.122  -0.679
   54   2HB   TYR   7          3HB       TYR   7  -1.613  -7.900  -1.824
   55    HD1  TYR   7           HD1      TYR   7   1.954  -8.354  -0.712
   56    HD2  TYR   7           HD2      TYR   7  -1.823 -10.184  -1.544
   57    HE1  TYR   7           HE1      TYR   7   2.904 -10.624  -0.073
   58    HE2  TYR   7           HE2      TYR   7  -0.860 -12.448  -0.901
   59    HH   TYR   7           HH       TYR   7   1.119 -13.169   0.705
   60    H    ASP   8           HN       ASP   8  -1.665  -7.829  -4.378
   61    HA   ASP   8           HA       ASP   8  -2.174  -5.155  -5.276
   62   1HB   ASP   8          2HB       ASP   8  -3.787  -6.329  -6.838
   63   2HB   ASP   8          3HB       ASP   8  -2.127  -6.870  -6.978
   64    H    THR   9           HN       THR   9  -2.829  -5.475  -2.536
   65    HA   THR   9           HA       THR   9  -5.695  -6.014  -2.422
   66    HB   THR   9           HB       THR   9  -4.385  -7.045  -0.667
   67    HG1  THR   9           1HG      THR   9  -6.338  -5.484  -0.220
   68   1HG2  THR   9          1HG2      THR   9  -3.044  -5.504   0.905
   69   2HG2  THR   9          2HG2      THR   9  -2.297  -5.798  -0.683
   70   3HG2  THR   9          3HG2      THR   9  -3.145  -4.265  -0.369
   71    H    CYS  10           HN       CYS  10  -6.668  -4.317  -3.521
   72    HA   CYS  10           HA       CYS  10  -6.780  -1.903  -1.982
   73   1HB   CYS  10          2HB       CYS  10  -4.803  -1.549  -3.508
   74   2HB   CYS  10          3HB       CYS  10  -5.892  -1.686  -4.874
   75    H    ILE  11           HN       ILE  11  -8.734  -0.692  -2.525
   76    HA   ILE  11           HA       ILE  11 -10.549  -2.248  -4.230
   77    HB   ILE  11           HB       ILE  11 -12.355  -1.391  -2.868
   78   1HG1  ILE  11          2HG1      ILE  11 -11.280  -0.319  -0.581
   79   2HG1  ILE  11          3HG1      ILE  11 -10.242   0.376  -1.809
   80   1HG2  ILE  11          1HG2      ILE  11 -10.494  -2.387  -0.775
   81   2HG2  ILE  11          2HG2      ILE  11 -12.120  -2.945  -1.237
   82   3HG2  ILE  11          3HG2      ILE  11 -10.709  -3.404  -2.221
   83   1HD1  ILE  11          1HD1      ILE  11 -13.198   0.734  -1.389
   84   2HD1  ILE  11          2HD1      ILE  11 -11.963   1.934  -1.840
   85   3HD1  ILE  11          3HD1      ILE  11 -12.586   0.796  -3.059
   86    H    GLY  12           HN       GLY  12  -8.848   0.753  -3.761
   87   1HA   GLY  12          1HA       GLY  12  -8.716   2.083  -5.814
   88   2HA   GLY  12          2HA       GLY  12 -10.461   1.971  -5.924
   89    H    CYS  13           HN       CYS  13  -8.638   2.383  -2.855
   90    HA   CYS  13           HA       CYS  13  -9.867   5.036  -2.654
   91   1HB   CYS  13          2HB       CYS  13 -10.672   4.458  -0.658
   92   2HB   CYS  13          3HB       CYS  13 -10.099   2.823  -0.924
   93    H    THR  14           HN       THR  14  -8.479   6.445  -0.980
   94    HA   THR  14           HA       THR  14  -5.623   5.923  -1.440
   95    HB   THR  14           HB       THR  14  -5.363   8.332  -2.011
   96    HG1  THR  14           1HG      THR  14  -7.562   9.423  -2.288
   97   1HG2  THR  14          1HG2      THR  14  -5.843   7.012  -4.001
   98   2HG2  THR  14          2HG2      THR  14  -7.563   6.877  -3.562
   99   3HG2  THR  14          3HG2      THR  14  -6.897   8.445  -4.075
  100    H    GLN  15           HN       GLN  15  -5.978   4.966   0.774
  101    HA   GLN  15           HA       GLN  15  -6.014   7.133   2.727
  102   1HB   GLN  15          2HB       GLN  15  -6.807   5.524   4.369
  103   2HB   GLN  15          3HB       GLN  15  -7.838   5.430   2.955
  104   1HG   GLN  15          2HG       GLN  15  -6.416   3.478   2.136
  105   2HG   GLN  15          3HG       GLN  15  -5.556   3.528   3.663
  106   1HE2  GLN  15          1HE2      GLN  15  -6.280   1.374   3.984
  107   2HE2  GLN  15          2HE2      GLN  15  -7.866   1.033   4.592
  108    H    CYS  16           HN       CYS  16  -4.485   3.967   1.848
  109    HA   CYS  16           HA       CYS  16  -2.385   4.382   3.750
  110   1HB   CYS  16          2HB       CYS  16  -1.589   2.246   3.125
  111   2HB   CYS  16          3HB       CYS  16  -3.337   2.121   3.103
  112    H    VAL  17           HN       VAL  17  -3.103   6.139   1.181
  113    HA   VAL  17           HA       VAL  17  -0.367   6.143   0.107
  114    HB   VAL  17           HB       VAL  17  -2.823   7.209  -1.276
  115   1HG1  VAL  17          1HG1      VAL  17  -1.209   6.485  -3.261
  116   2HG1  VAL  17          2HG1      VAL  17  -1.038   8.056  -2.442
  117   3HG1  VAL  17          3HG1      VAL  17   0.035   6.703  -2.007
  118   1HG2  VAL  17          1HG2      VAL  17  -2.798   5.053  -2.585
  119   2HG2  VAL  17          2HG2      VAL  17  -1.705   4.391  -1.345
  120   3HG2  VAL  17          3HG2      VAL  17  -3.350   4.906  -0.899
  121    H    ARG  18           HN       ARG  18  -2.169   7.559   2.416
  122    HA   ARG  18           HA       ARG  18  -1.155  10.202   1.732
  123   1HB   ARG  18          2HB       ARG  18  -3.780   9.312   2.684
  124   2HB   ARG  18          3HB       ARG  18  -3.092  10.469   3.806
  125   1HG   ARG  18          2HG       ARG  18  -4.195  11.872   2.269
  126   2HG   ARG  18          3HG       ARG  18  -2.548  11.898   1.670
  127   1HD   ARG  18          2HD       ARG  18  -3.744   9.633   0.434
  128   2HD   ARG  18          3HD       ARG  18  -4.966  10.886   0.366
  129    HE   ARG  18           HE       ARG  18  -2.266  11.763  -0.424
  130   1HH1  ARG  18          1HH1      ARG  18  -3.227  12.153  -3.756
  131   2HH1  ARG  18          2HH1      ARG  18  -1.993  12.465  -2.582
  132   1HH2  ARG  18          1HH2      ARG  18  -5.158  11.024  -3.138
  133   2HH2  ARG  18          2HH2      ARG  18  -5.364  10.492  -1.501
  134    H    ALA  19           HN       ALA  19  -2.030   8.000   4.496
  135    HA   ALA  19           HA       ALA  19  -0.451   9.435   6.363
  136   1HB   ALA  19          1HB       ALA  19  -2.266   8.218   7.248
  137   2HB   ALA  19          2HB       ALA  19  -1.872   6.762   6.303
  138   3HB   ALA  19          3HB       ALA  19  -0.851   7.231   7.683
  139    H    CYS  20           HN       CYS  20   1.664   9.676   5.523
  140    HA   CYS  20           HA       CYS  20   3.431   7.648   6.157
  141   1HB   CYS  20          2HB       CYS  20   2.560   6.453   4.199
  142   2HB   CYS  20          3HB       CYS  20   2.907   7.831   3.172
  143    HA   PRO  21           HA       PRO  21   5.266  11.680   5.784
  144   1HB   PRO  21          2HB       PRO  21   7.092  11.384   7.797
  145   2HB   PRO  21          3HB       PRO  21   5.465  11.980   8.058
  146   1HG   PRO  21          2HG       PRO  21   6.589   9.320   8.692
  147   2HG   PRO  21          3HG       PRO  21   5.134  10.074   9.314
  148   1HD   PRO  21          2HD       PRO  21   5.285   8.014   7.323
  149   2HD   PRO  21          3HD       PRO  21   3.841   8.848   7.861
  150    H    LEU  22           HN       LEU  22   7.264   8.818   6.330
  151    HA   LEU  22           HA       LEU  22   9.493   9.860   5.011
  152   1HB   LEU  22          2HB       LEU  22   8.549   7.139   5.812
  153   2HB   LEU  22          3HB       LEU  22   9.929   7.278   4.740
  154    HG   LEU  22           HG       LEU  22  10.331   9.083   6.923
  155   1HD1  LEU  22          1HD1      LEU  22  10.433   7.401   8.779
  156   2HD1  LEU  22          2HD1      LEU  22   8.789   7.852   8.267
  157   3HD1  LEU  22          3HD1      LEU  22   9.486   6.298   7.752
  158   1HD2  LEU  22          1HD2      LEU  22  12.417   8.255   6.827
  159   2HD2  LEU  22          2HD2      LEU  22  11.865   6.563   6.872
  160   3HD2  LEU  22          3HD2      LEU  22  11.840   7.467   5.339
  161    H    ASP  23           HN       ASP  23   6.415   8.723   3.843
  162    HA   ASP  23           HA       ASP  23   5.580   8.518   1.854
  163   1HB   ASP  23          2HB       ASP  23   8.023  10.183   1.257
  164   2HB   ASP  23          3HB       ASP  23   7.154   9.507  -0.106
  165    H    VAL  24           HN       VAL  24   5.988   6.131   2.118
  166    HA   VAL  24           HA       VAL  24   8.178   5.187   0.402
  167    HB   VAL  24           HB       VAL  24   8.331   4.605   2.802
  168   1HG1  VAL  24          1HG1      VAL  24   6.121   2.625   2.589
  169   2HG1  VAL  24          2HG1      VAL  24   6.708   3.548   3.993
  170   3HG1  VAL  24          3HG1      VAL  24   5.648   4.329   2.795
  171   1HG2  VAL  24          1HG2      VAL  24   8.602   2.913   0.548
  172   2HG2  VAL  24          2HG2      VAL  24   9.435   2.795   2.117
  173   3HG2  VAL  24          3HG2      VAL  24   7.908   1.919   1.852
  174    H    LEU  25           HN       LEU  25   4.703   5.006   1.240
  175    HA   LEU  25           HA       LEU  25   4.117   2.922  -0.573
  176   1HB   LEU  25          2HB       LEU  25   2.357   5.036   0.675
  177   2HB   LEU  25          3HB       LEU  25   1.778   3.642  -0.216
  178    HG   LEU  25           HG       LEU  25   3.497   2.612   1.775
  179   1HD1  LEU  25          1HD1      LEU  25   2.762   5.114   2.649
  180   2HD1  LEU  25          2HD1      LEU  25   1.524   4.067   3.383
  181   3HD1  LEU  25          3HD1      LEU  25   3.250   3.750   3.682
  182   1HD2  LEU  25          1HD2      LEU  25   1.765   1.225   2.134
  183   2HD2  LEU  25          2HD2      LEU  25   0.595   2.554   2.317
  184   3HD2  LEU  25          3HD2      LEU  25   1.079   2.011   0.692
  185    H    GLU  26           HN       GLU  26   3.857   2.941  -2.751
  186    HA   GLU  26           HA       GLU  26   3.388   5.532  -3.974
  187   1HB   GLU  26          2HB       GLU  26   5.498   3.526  -4.883
  188   2HB   GLU  26          3HB       GLU  26   5.044   4.967  -5.771
  189   1HG   GLU  26          2HG       GLU  26   5.723   5.480  -2.922
  190   2HG   GLU  26          3HG       GLU  26   7.056   4.837  -3.861
  191    H    MET  27           HN       MET  27   3.347   4.738  -6.666
  192    HA   MET  27           HA       MET  27   1.086   2.914  -6.584
  193   1HB   MET  27          2HB       MET  27   0.688   3.921  -8.932
  194   2HB   MET  27          3HB       MET  27   0.538   5.049  -7.598
  195   1HG   MET  27          2HG       MET  27   2.686   6.033  -8.033
  196   2HG   MET  27          3HG       MET  27   3.195   4.691  -9.039
  197   1HE   MET  27          1HE       MET  27   3.565   6.983 -11.417
  198   2HE   MET  27          2HE       MET  27   3.829   5.312 -10.863
  199   3HE   MET  27          3HE       MET  27   2.777   5.630 -12.263
  200    H    VAL  28           HN       VAL  28   1.099   0.954  -7.672
  201    HA   VAL  28           HA       VAL  28   3.508   0.410  -9.268
  202    HB   VAL  28           HB       VAL  28   3.425  -1.865  -8.461
  203   1HG1  VAL  28          1HG1      VAL  28   4.849  -0.736  -7.066
  204   2HG1  VAL  28          2HG1      VAL  28   3.593   0.400  -6.515
  205   3HG1  VAL  28          3HG1      VAL  28   3.635  -1.262  -5.875
  206   1HG2  VAL  28          1HG2      VAL  28   1.595  -2.796  -7.593
  207   2HG2  VAL  28          2HG2      VAL  28   1.585  -1.617  -6.259
  208   3HG2  VAL  28          3HG2      VAL  28   0.746  -1.243  -7.784
  209    HA   PRO  29           HA       PRO  29   0.841  -0.852 -12.425
  210   1HB   PRO  29          2HB       PRO  29   2.142  -2.947 -13.602
  211   2HB   PRO  29          3HB       PRO  29   2.575  -1.272 -13.880
  212   1HG   PRO  29          2HG       PRO  29   3.965  -3.297 -12.235
  213   2HG   PRO  29          3HG       PRO  29   4.582  -1.783 -12.865
  214   1HD   PRO  29          2HD       PRO  29   3.769  -2.315 -10.167
  215   2HD   PRO  29          3HD       PRO  29   4.276  -0.772 -10.823
  216    H    TRP  30           HN       TRP  30  -1.168  -1.494 -11.968
  217    HA   TRP  30           HA       TRP  30  -1.358  -4.333 -11.231
  218   1HB   TRP  30          2HB       TRP  30  -1.700  -3.020  -9.233
  219   2HB   TRP  30          3HB       TRP  30  -2.878  -2.008 -10.044
  220    HD1  TRP  30           HD1      TRP  30  -5.308  -2.690  -9.403
  221    HE1  TRP  30           HE1      TRP  30  -6.647  -4.857  -8.711
  222    HE3  TRP  30           HE3      TRP  30  -1.362  -5.879  -9.749
  223    HZ2  TRP  30           HZ2      TRP  30  -5.922  -7.598  -8.393
  224    HZ3  TRP  30           HZ3      TRP  30  -1.763  -8.284  -9.231
  225    HH2  TRP  30           HH2      TRP  30  -3.949  -9.158  -8.572
  226    H    ASP  31           HN       ASP  31  -3.842  -4.996 -11.592
  227    HA   ASP  31           HA       ASP  31  -4.814  -3.606 -13.948
  228   1HB   ASP  31          2HB       ASP  31  -3.441  -5.892 -14.287
  229   2HB   ASP  31          3HB       ASP  31  -4.967  -6.621 -13.828
  230    H    GLY  32           HN       GLY  32  -6.084  -2.946 -11.758
  231   1HA   GLY  32          1HA       GLY  32  -8.564  -4.461 -11.784
  232   2HA   GLY  32          2HA       GLY  32  -7.699  -4.454 -10.260
  233    H    CYS  33           HN       CYS  33  -6.516  -1.753 -10.600
  234    HA   CYS  33           HA       CYS  33  -8.707  -0.291  -9.564
  235   1HB   CYS  33          2HB       CYS  33  -5.920  -0.115  -9.417
  236   2HB   CYS  33          3HB       CYS  33  -6.386   1.324 -10.301
  237    HG   CYS  33           HG       CYS  33  -8.617   1.423  -8.438
  238    H    LYS  34           HN       LYS  34  -9.066   2.077 -10.521
  239    HA   LYS  34           HA       LYS  34 -10.084   1.726 -13.123
  240   1HB   LYS  34          2HB       LYS  34 -10.092   3.778 -11.028
  241   2HB   LYS  34          3HB       LYS  34 -10.064   4.453 -12.644
  242   1HG   LYS  34          2HG       LYS  34 -11.936   2.158 -12.292
  243   2HG   LYS  34          3HG       LYS  34 -12.344   3.582 -11.356
  244   1HD   LYS  34          2HD       LYS  34 -11.700   3.726 -14.333
  245   2HD   LYS  34          3HD       LYS  34 -13.325   3.441 -13.743
  246   1HE   LYS  34          2HE       LYS  34 -13.619   5.641 -13.243
  247   2HE   LYS  34          3HE       LYS  34 -12.130   5.699 -12.322
  248   1HZ   LYS  34          1HZ       LYS  34 -11.032   6.522 -14.056
  249   2HZ   LYS  34          2HZ       LYS  34 -11.757   5.557 -15.156
  250   3HZ   LYS  34          3HZ       LYS  34 -12.500   6.920 -14.649
  251    H    ALA  35           HN       ALA  35  -6.961   2.645 -11.846
  252    HA   ALA  35           HA       ALA  35  -6.175   3.493 -14.551
  253   1HB   ALA  35          1HB       ALA  35  -5.747   4.655 -11.899
  254   2HB   ALA  35          2HB       ALA  35  -4.214   4.364 -12.756
  255   3HB   ALA  35          3HB       ALA  35  -5.478   5.366 -13.509
  256    H    GLY  36           HN       GLY  36  -6.429   0.749 -13.127
  257   1HA   GLY  36          1HA       GLY  36  -5.214  -1.133 -12.848
  258   2HA   GLY  36          2HA       GLY  36  -4.411  -0.611 -14.315
  259    H    GLN  37           HN       GLN  37  -4.404   0.572 -10.872
  260    HA   GLN  37           HA       GLN  37  -1.626  -0.121 -10.698
  261   1HB   GLN  37          2HB       GLN  37  -1.005   2.225  -9.948
  262   2HB   GLN  37          3HB       GLN  37  -1.351   2.065 -11.658
  263   1HG   GLN  37          2HG       GLN  37  -2.866   3.738 -11.420
  264   2HG   GLN  37          3HG       GLN  37  -3.870   2.612 -10.528
  265   1HE2  GLN  37          1HE2      GLN  37  -4.353   3.044  -8.507
  266   2HE2  GLN  37          2HE2      GLN  37  -3.584   4.207  -7.478
  267    H    ILE  38           HN       ILE  38  -1.370  -1.057  -8.719
  268    HA   ILE  38           HA       ILE  38  -3.359  -0.428  -6.685
  269    HB   ILE  38           HB       ILE  38  -2.782  -2.785  -7.503
  270   1HG1  ILE  38          2HG1      ILE  38  -2.588  -3.278  -4.749
  271   2HG1  ILE  38          3HG1      ILE  38  -3.418  -1.739  -4.866
  272   1HG2  ILE  38          1HG2      ILE  38  -0.456  -2.888  -7.525
  273   2HG2  ILE  38          2HG2      ILE  38  -0.304  -2.106  -5.933
  274   3HG2  ILE  38          3HG2      ILE  38  -0.897  -3.781  -6.049
  275   1HD1  ILE  38          1HD1      ILE  38  -4.986  -2.776  -6.570
  276   2HD1  ILE  38          2HD1      ILE  38  -4.204  -4.343  -6.250
  277   3HD1  ILE  38          3HD1      ILE  38  -5.087  -3.507  -4.951
  278    H    ALA  39           HN       ALA  39  -2.873   0.555  -4.743
  279    HA   ALA  39           HA       ALA  39  -0.373   1.952  -4.659
  280   1HB   ALA  39          1HB       ALA  39  -2.861   1.835  -2.931
  281   2HB   ALA  39          2HB       ALA  39  -1.421   2.760  -2.443
  282   3HB   ALA  39          3HB       ALA  39  -2.277   3.173  -3.949
  283    H    SER  40           HN       SER  40   1.405   0.686  -4.238
  284    HA   SER  40           HA       SER  40   1.259  -0.797  -1.741
  285   1HB   SER  40          2HB       SER  40   2.742  -1.806  -4.204
  286   2HB   SER  40          3HB       SER  40   2.509  -2.656  -2.690
  287    HG   SER  40           HG       SER  40   0.141  -2.536  -3.159
  288    H    SER  41           HN       SER  41   3.950  -1.686  -1.674
  289    HA   SER  41           HA       SER  41   5.377   0.852  -1.856
  290   1HB   SER  41          2HB       SER  41   4.849  -0.806   0.448
  291   2HB   SER  41          3HB       SER  41   6.574  -0.837   0.140
  292    HG   SER  41           HG       SER  41   5.936   0.942   1.533
  293    HA   PRO  42           HA       PRO  42   7.678  -2.082  -4.349
  294   1HB   PRO  42          2HB       PRO  42   8.472  -0.312  -6.274
  295   2HB   PRO  42          3HB       PRO  42   6.998  -1.253  -6.387
  296   1HG   PRO  42          2HG       PRO  42   7.321   1.617  -5.752
  297   2HG   PRO  42          3HG       PRO  42   5.884   0.764  -6.283
  298   1HD   PRO  42          2HD       PRO  42   6.477   1.636  -3.614
  299   2HD   PRO  42          3HD       PRO  42   5.097   0.683  -4.124
  300    H    ARG  43           HN       ARG  43   8.972   1.210  -4.253
  301    HA   ARG  43           HA       ARG  43  11.500   0.013  -3.564
  302   1HB   ARG  43          2HB       ARG  43  10.848   2.955  -4.089
  303   2HB   ARG  43          3HB       ARG  43  12.447   2.240  -4.043
  304   1HG   ARG  43          2HG       ARG  43  10.306   1.339  -6.020
  305   2HG   ARG  43          3HG       ARG  43  11.442   2.624  -6.382
  306   1HD   ARG  43          2HD       ARG  43  12.853   0.992  -7.116
  307   2HD   ARG  43          3HD       ARG  43  13.116   0.598  -5.429
  308    HE   ARG  43           HE       ARG  43  10.812  -0.794  -5.985
  309   1HH1  ARG  43          1HH1      ARG  43  11.982  -3.536  -7.798
  310   2HH1  ARG  43          2HH1      ARG  43  10.691  -2.916  -6.824
  311   1HH2  ARG  43          1HH2      ARG  43  13.834  -2.212  -8.251
  312   2HH2  ARG  43          2HH2      ARG  43  13.926  -0.604  -7.614
  313    H    THR  44           HN       THR  44  10.876  -0.613  -1.343
  314    HA   THR  44           HA       THR  44  10.226   1.566   0.472
  315    HB   THR  44           HB       THR  44  10.533  -1.458   0.866
  316    HG1  THR  44           1HG      THR  44   8.237   0.357   0.660
  317   1HG2  THR  44          1HG2      THR  44  10.652  -0.366   3.048
  318   2HG2  THR  44          2HG2      THR  44   9.366   0.780   2.597
  319   3HG2  THR  44          3HG2      THR  44   8.980  -0.940   2.841
  320    H    GLU  45           HN       GLU  45  12.836   1.571  -0.925
  321    HA   GLU  45           HA       GLU  45  14.811   0.622   0.755
  322   1HB   GLU  45          2HB       GLU  45  16.323   2.021  -0.522
  323   2HB   GLU  45          3HB       GLU  45  15.109   1.396  -1.622
  324   1HG   GLU  45          2HG       GLU  45  13.904   3.494  -1.646
  325   2HG   GLU  45          3HG       GLU  45  14.805   4.112  -0.275
  326    H    ASP  46           HN       ASP  46  12.639   3.352   1.038
  327    HA   ASP  46           HA       ASP  46  14.216   4.244   3.323
  328   1HB   ASP  46          2HB       ASP  46  12.838   5.776   1.133
  329   2HB   ASP  46          3HB       ASP  46  12.743   6.458   2.744
  330    H    CYS  47           HN       CYS  47  13.031   3.335   5.041
  331    HA   CYS  47           HA       CYS  47  10.666   4.371   5.860
  332   1HB   CYS  47          2HB       CYS  47   9.255   3.563   4.239
  333   2HB   CYS  47          3HB       CYS  47  10.232   2.144   3.919
  334    H    VAL  48           HN       VAL  48  11.805   4.161   7.844
  335    HA   VAL  48           HA       VAL  48  12.575   1.462   8.637
  336    HB   VAL  48           HB       VAL  48  13.727   2.608  10.472
  337   1HG1  VAL  48          1HG1      VAL  48  15.380   3.889   9.039
  338   2HG1  VAL  48          2HG1      VAL  48  15.030   2.225   8.513
  339   3HG1  VAL  48          3HG1      VAL  48  14.287   3.602   7.664
  340   1HG2  VAL  48          1HG2      VAL  48  12.091   4.528  10.605
  341   2HG2  VAL  48          2HG2      VAL  48  13.809   4.986  10.690
  342   3HG2  VAL  48          3HG2      VAL  48  12.899   5.222   9.179
  343    H    GLY  49           HN       GLY  49   9.870   1.563   8.384
  344   1HA   GLY  49          1HA       GLY  49   7.889   1.480   9.475
  345   2HA   GLY  49          2HA       GLY  49   8.836   0.675  10.709
  346    H    CYS  50           HN       CYS  50   7.761   3.923   9.554
  347    HA   CYS  50           HA       CYS  50   8.545   5.181  11.985
  348   1HB   CYS  50          2HB       CYS  50   7.681   7.186  11.048
  349   2HB   CYS  50          3HB       CYS  50   8.451   6.318   9.735
  350    H    LYS  51           HN       LYS  51   5.728   3.492  10.663
  351    HA   LYS  51           HA       LYS  51   3.921   2.718  11.708
  352   1HB   LYS  51          2HB       LYS  51   5.418   2.766  13.795
  353   2HB   LYS  51          3HB       LYS  51   4.625   4.274  14.202
  354   1HG   LYS  51          2HG       LYS  51   2.412   3.167  14.165
  355   2HG   LYS  51          3HG       LYS  51   3.141   1.665  13.635
  356   1HD   LYS  51          2HD       LYS  51   3.930   1.143  15.735
  357   2HD   LYS  51          3HD       LYS  51   4.353   2.802  16.106
  358   1HE   LYS  51          2HE       LYS  51   1.503   1.696  16.093
  359   2HE   LYS  51          3HE       LYS  51   2.472   1.937  17.531
  360   1HZ   LYS  51          1HZ       LYS  51   1.300   3.931  15.777
  361   2HZ   LYS  51          2HZ       LYS  51   1.328   3.875  17.409
  362   3HZ   LYS  51          3HZ       LYS  51   2.666   4.317  16.586
  363    H    ARG  52           HN       ARG  52   3.515   4.525   9.865
  364    HA   ARG  52           HA       ARG  52   1.730   6.437  11.143
  365   1HB   ARG  52          2HB       ARG  52   3.764   7.467  10.003
  366   2HB   ARG  52          3HB       ARG  52   3.197   6.807   8.482
  367   1HG   ARG  52          2HG       ARG  52   1.883   8.632   8.208
  368   2HG   ARG  52          3HG       ARG  52   0.951   8.147   9.611
  369   1HD   ARG  52          2HD       ARG  52   3.450   9.354  10.493
  370   2HD   ARG  52          3HD       ARG  52   2.662  10.428   9.355
  371    HE   ARG  52           HE       ARG  52   1.671   9.658  12.015
  372   1HH1  ARG  52          1HH1      ARG  52  -1.158  11.677  11.712
  373   2HH1  ARG  52          2HH1      ARG  52  -0.187  10.736  12.793
  374   1HH2  ARG  52          1HH2      ARG  52  -0.574  11.843   9.472
  375   2HH2  ARG  52          2HH2      ARG  52   0.836  11.026   8.882
  376    H    CYS  53           HN       CYS  53   2.421   4.303   8.322
  377    HA   CYS  53           HA       CYS  53   0.215   4.718   6.805
  378   1HB   CYS  53          2HB       CYS  53   0.468   2.093   6.408
  379   2HB   CYS  53          3HB       CYS  53   1.624   3.250   5.779
  380    H    GLU  54           HN       GLU  54   0.368   1.702   8.787
  381    HA   GLU  54           HA       GLU  54  -1.301   0.549   9.650
  382   1HB   GLU  54          2HB       GLU  54  -0.459   1.967  11.520
  383   2HB   GLU  54          3HB       GLU  54  -1.672   3.178  11.154
  384   1HG   GLU  54          2HG       GLU  54  -2.986   0.606  11.392
  385   2HG   GLU  54          3HG       GLU  54  -1.950   0.828  12.787
  386    H    THR  55           HN       THR  55  -2.232   1.238   7.212
  387    HA   THR  55           HA       THR  55  -5.034   1.331   7.603
  388    HB   THR  55           HB       THR  55  -4.363   3.782   7.934
  389    HG1  THR  55           1HG      THR  55  -5.895   2.822   5.626
  390   1HG2  THR  55          1HG2      THR  55  -3.580   3.389   5.005
  391   2HG2  THR  55          2HG2      THR  55  -4.024   4.979   5.673
  392   3HG2  THR  55          3HG2      THR  55  -2.598   4.116   6.299
  393    H    ALA  56           HN       ALA  56  -2.903  -0.324   6.399
  394    HA   ALA  56           HA       ALA  56  -2.787  -0.057   3.654
  395   1HB   ALA  56          1HB       ALA  56  -1.396  -1.584   5.008
  396   2HB   ALA  56          2HB       ALA  56  -2.829  -2.584   5.355
  397   3HB   ALA  56          3HB       ALA  56  -2.214  -2.458   3.690
  398    H    CYS  57           HN       CYS  57  -4.841  -2.528   5.346
  399    HA   CYS  57           HA       CYS  57  -7.263  -1.751   4.386
  400   1HB   CYS  57          2HB       CYS  57  -5.665  -2.740   2.214
  401   2HB   CYS  57          3HB       CYS  57  -6.959  -3.883   2.513
  402    HA   PRO  58           HA       PRO  58  -8.241  -5.380   6.595
  403   1HB   PRO  58          2HB       PRO  58 -10.574  -6.296   5.507
  404   2HB   PRO  58          3HB       PRO  58 -10.501  -4.940   6.615
  405   1HG   PRO  58          2HG       PRO  58 -10.906  -4.922   3.686
  406   2HG   PRO  58          3HG       PRO  58 -11.246  -3.656   4.849
  407   1HD   PRO  58          2HD       PRO  58  -9.022  -3.773   3.043
  408   2HD   PRO  58          3HD       PRO  58  -9.301  -2.569   4.285
  409    H    THR  59           HN       THR  59  -8.796  -7.808   6.610
  410    HA   THR  59           HA       THR  59  -6.833  -9.001   4.934
  411    HB   THR  59           HB       THR  59  -8.997 -10.218   6.729
  412    HG1  THR  59           1HG      THR  59  -6.175  -9.509   7.112
  413   1HG2  THR  59          1HG2      THR  59  -7.404 -11.632   5.031
  414   2HG2  THR  59          2HG2      THR  59  -6.248 -11.382   6.362
  415   3HG2  THR  59          3HG2      THR  59  -7.791 -12.213   6.668
  416    H    ASP  60           HN       ASP  60  -9.994  -7.950   4.303
  417    HA   ASP  60           HA       ASP  60 -11.209  -9.877   2.940
  418   1HB   ASP  60          2HB       ASP  60 -11.186  -6.994   2.932
  419   2HB   ASP  60          3HB       ASP  60 -11.256  -7.519   1.261
  420    H    PHE  61           HN       PHE  61  -8.173  -8.243   2.156
  421    HA   PHE  61           HA       PHE  61  -8.078  -9.726  -0.378
  422   1HB   PHE  61          2HB       PHE  61  -7.808  -6.904   0.285
  423   2HB   PHE  61          3HB       PHE  61  -6.227  -7.474  -0.208
  424    HD1  PHE  61           1HD      PHE  61  -8.738  -5.710  -1.454
  425    HD2  PHE  61           2HD      PHE  61  -6.747  -9.353  -2.330
  426    HE1  PHE  61           1HE      PHE  61  -9.413  -5.499  -3.862
  427    HE2  PHE  61           2HE      PHE  61  -7.422  -9.144  -4.738
  428    HZ   PHE  61           HZ       PHE  61  -8.746  -7.218  -5.476
  429    H    LEU  62           HN       LEU  62  -5.717  -7.875   1.669
  430    HA   LEU  62           HA       LEU  62  -3.572  -9.493   1.181
  431   1HB   LEU  62          2HB       LEU  62  -2.694  -8.596   3.351
  432   2HB   LEU  62          3HB       LEU  62  -3.206  -7.412   2.165
  433    HG   LEU  62           HG       LEU  62  -5.489  -7.575   3.570
  434   1HD1  LEU  62          1HD1      LEU  62  -4.202  -9.302   5.067
  435   2HD1  LEU  62          2HD1      LEU  62  -3.526  -7.837   5.818
  436   3HD1  LEU  62          3HD1      LEU  62  -5.287  -8.097   5.799
  437   1HD2  LEU  62          1HD2      LEU  62  -3.533  -5.861   4.942
  438   2HD2  LEU  62          2HD2      LEU  62  -3.535  -5.702   3.170
  439   3HD2  LEU  62          3HD2      LEU  62  -5.039  -5.443   4.087
  440    H    SER  63           HN       SER  63  -2.953 -11.524   1.733
  441    HA   SER  63           HA       SER  63  -4.799 -13.126   3.115
  442   1HB   SER  63          2HB       SER  63  -2.216 -13.474   1.699
  443   2HB   SER  63          3HB       SER  63  -2.456 -14.612   3.010
  444    HG   SER  63           HG       SER  63  -4.178 -14.163   0.730
  445    H    ILE  64           HN       ILE  64  -1.254 -12.794   3.839
  446    HA   ILE  64           HA       ILE  64  -1.481 -11.706   6.354
  447    HB   ILE  64           HB       ILE  64  -2.739 -13.465   7.191
  448   1HG1  ILE  64          2HG1      ILE  64   0.075 -14.352   7.861
  449   2HG1  ILE  64          3HG1      ILE  64  -0.618 -12.864   8.476
  450   1HG2  ILE  64          1HG2      ILE  64  -2.697 -15.043   5.427
  451   2HG2  ILE  64          2HG2      ILE  64  -0.946 -15.309   5.601
  452   3HG2  ILE  64          3HG2      ILE  64  -2.064 -15.883   6.862
  453   1HD1  ILE  64          1HD1      ILE  64  -1.379 -14.186  10.180
  454   2HD1  ILE  64          2HD1      ILE  64  -2.653 -14.645   9.025
  455   3HD1  ILE  64          3HD1      ILE  64  -1.214 -15.676   9.220
  456    H    ARG  65           HN       ARG  65   0.390 -10.652   5.642
  457    HA   ARG  65           HA       ARG  65   2.667 -12.434   5.301
  458   1HB   ARG  65          2HB       ARG  65   2.186 -11.070   3.286
  459   2HB   ARG  65          3HB       ARG  65   2.208  -9.600   4.240
  460   1HG   ARG  65          2HG       ARG  65   4.526  -9.586   4.440
  461   2HG   ARG  65          3HG       ARG  65   4.651 -11.333   4.419
  462   1HD   ARG  65          2HD       ARG  65   3.762 -11.003   1.889
  463   2HD   ARG  65          3HD       ARG  65   4.471  -9.414   2.101
  464    HE   ARG  65           HE       ARG  65   6.281 -11.504   2.997
  465   1HH1  ARG  65          1HH1      ARG  65   8.251 -11.394   0.119
  466   2HH1  ARG  65          2HH1      ARG  65   8.147 -11.949   1.756
  467   1HH2  ARG  65          1HH2      ARG  65   6.494 -10.197  -0.814
  468   2HH2  ARG  65          2HH2      ARG  65   5.079  -9.860   0.127
  469    H    VAL  66           HN       VAL  66   1.886  -9.011   6.301
  470    HA   VAL  66           HA       VAL  66   3.020  -9.362   8.866
  471    HB   VAL  66           HB       VAL  66   5.079  -9.343   7.500
  472   1HG1  VAL  66          1HG1      VAL  66   4.056  -6.617   6.661
  473   2HG1  VAL  66          2HG1      VAL  66   5.764  -7.102   6.518
  474   3HG1  VAL  66          3HG1      VAL  66   4.508  -7.994   5.627
  475   1HG2  VAL  66          1HG2      VAL  66   6.293  -7.791   8.869
  476   2HG2  VAL  66          2HG2      VAL  66   4.829  -6.825   9.173
  477   3HG2  VAL  66          3HG2      VAL  66   4.971  -8.464   9.855
  478    H    TYR  67           HN       TYR  67   2.649  -7.487  10.207
  479    HA   TYR  67           HA       TYR  67   1.586  -5.111   9.036
  480   1HB   TYR  67          2HB       TYR  67  -0.220  -6.868  10.792
  481   2HB   TYR  67          3HB       TYR  67  -0.706  -5.458   9.873
  482    HD1  TYR  67           HD1      TYR  67  -0.910  -5.594   7.384
  483    HD2  TYR  67           HD2      TYR  67  -0.124  -9.050   9.781
  484    HE1  TYR  67           HE1      TYR  67  -1.605  -7.099   5.456
  485    HE2  TYR  67           HE2      TYR  67  -0.822 -10.542   7.845
  486    HH   TYR  67           HH       TYR  67  -2.508 -10.078   5.732
  487    H    LEU  68           HN       LEU  68   1.229  -3.428  10.634
  488    HA   LEU  68           HA       LEU  68   3.039  -3.229  12.586
  489   1HB   LEU  68          2HB       LEU  68   0.492  -1.960  11.945
  490   2HB   LEU  68          3HB       LEU  68   0.865  -1.886  13.655
  491    HG   LEU  68           HG       LEU  68   1.638   0.106  12.480
  492   1HD1  LEU  68          1HD1      LEU  68   3.757  -1.701  13.643
  493   2HD1  LEU  68          2HD1      LEU  68   4.093  -0.021  13.163
  494   3HD1  LEU  68          3HD1      LEU  68   2.879  -0.363  14.420
  495   1HD2  LEU  68          1HD2      LEU  68   2.364  -1.676  10.447
  496   2HD2  LEU  68          2HD2      LEU  68   2.629   0.084  10.492
  497   3HD2  LEU  68          3HD2      LEU  68   3.899  -1.023  11.066
  498    H    GLY  69           HN       GLY  69  -0.124  -4.907  12.795
  499   1HA   GLY  69          1HA       GLY  69   0.014  -5.391  15.597
  500   2HA   GLY  69          2HA       GLY  69  -1.039  -6.165  14.430
  501    H    ALA  70           HN       ALA  70   2.553  -6.025  15.030
  502    HA   ALA  70           HA       ALA  70   2.586  -8.874  15.455
  503   1HB   ALA  70          1HB       ALA  70   4.401  -7.897  13.271
  504   2HB   ALA  70          2HB       ALA  70   3.724  -9.519  13.548
  505   3HB   ALA  70          3HB       ALA  70   2.700  -8.232  12.869
  506    H    GLU  71           HN       GLU  71   4.439  -5.824  14.849
  507    HA   GLU  71           HA       GLU  71   6.609  -6.752  16.424
  508   1HB   GLU  71          2HB       GLU  71   5.936  -4.333  14.824
  509   2HB   GLU  71          3HB       GLU  71   6.994  -4.032  16.189
  510   1HG   GLU  71          2HG       GLU  71   8.238  -6.234  15.246
  511   2HG   GLU  71          3HG       GLU  71   7.477  -5.736  13.749
  512    H    THR  72           HN       THR  72   4.071  -4.174  16.802
  513    HA   THR  72           HA       THR  72   4.812  -3.744  19.546
  514    HB   THR  72           HB       THR  72   4.010  -1.912  18.065
  515    HG1  THR  72           1HG      THR  72   2.120  -1.400  19.598
  516   1HG2  THR  72          1HG2      THR  72   2.392  -2.925  16.592
  517   2HG2  THR  72          2HG2      THR  72   1.517  -3.670  17.952
  518   3HG2  THR  72          3HG2      THR  72   1.434  -1.911  17.697
  519    H    THR  73           HN       THR  73   3.345  -6.315  18.079
  520    HA   THR  73           HA       THR  73   1.039  -6.706  19.623
  521    HB   THR  73           HB       THR  73   2.985  -8.536  18.139
  522    HG1  THR  73           1HG      THR  73   0.867  -8.529  16.838
  523   1HG2  THR  73          1HG2      THR  73   1.169  -9.418  20.107
  524   2HG2  THR  73          2HG2      THR  73   0.244  -9.534  18.590
  525   3HG2  THR  73          3HG2      THR  73   1.793 -10.395  18.757
  526    H    ARG  74           HN       ARG  74   4.375  -8.062  20.097
  527    HA   ARG  74           HA       ARG  74   3.582  -8.397  22.878
  528   1HB   ARG  74          2HB       ARG  74   5.364 -10.180  22.968
  529   2HB   ARG  74          3HB       ARG  74   4.087 -10.553  21.826
  530   1HG   ARG  74          2HG       ARG  74   6.452  -9.022  20.771
  531   2HG   ARG  74          3HG       ARG  74   6.716 -10.706  21.178
  532   1HD   ARG  74          2HD       ARG  74   4.288  -9.983  19.523
  533   2HD   ARG  74          3HD       ARG  74   5.858 -10.004  18.744
  534    HE   ARG  74           HE       ARG  74   5.793 -12.408  20.135
  535   1HH1  ARG  74          1HH1      ARG  74   3.903 -14.388  17.970
  536   2HH1  ARG  74          2HH1      ARG  74   5.048 -14.388  19.270
  537   1HH2  ARG  74          1HH2      ARG  74   3.126 -12.379  17.107
  538   2HH2  ARG  74          2HH2      ARG  74   3.691 -10.878  17.764
  539    H    SER  75           HN       SER  75   5.841  -6.986  20.569
  540    HA   SER  75           HA       SER  75   7.828  -6.430  22.526
  541   1HB   SER  75          2HB       SER  75   7.789  -6.571  19.758
  542   2HB   SER  75          3HB       SER  75   7.844  -4.839  20.019
  543    HG   SER  75           HG       SER  75   9.610  -6.254  21.669
  544    H    MET  76           HN       MET  76   4.783  -5.104  21.636
  545    HA   MET  76           HA       MET  76   3.711  -3.283  22.144
  546   1HB   MET  76          2HB       MET  76   5.479  -3.816  24.367
  547   2HB   MET  76          3HB       MET  76   5.448  -2.076  24.155
  548   1HG   MET  76          2HG       MET  76   2.827  -3.588  24.102
  549   2HG   MET  76          3HG       MET  76   3.600  -3.302  25.648
  550   1HE   MET  76          1HE       MET  76   2.693  -0.814  26.948
  551   2HE   MET  76          2HE       MET  76   4.345  -1.321  26.521
  552   3HE   MET  76          3HE       MET  76   3.799   0.333  26.155
  553    H    GLY  77           HN       GLY  77   7.008  -2.017  22.977
  554   1HA   GLY  77          1HA       GLY  77   7.318  -0.592  20.529
  555   2HA   GLY  77          2HA       GLY  77   6.709   0.456  21.795
  556    H    LEU  78           HN       LEU  78   8.006  -0.924  24.050
  557    HA   LEU  78           HA       LEU  78  10.730   0.010  23.531
  558   1HB   LEU  78          2HB       LEU  78   9.989   1.248  25.284
  559   2HB   LEU  78          3HB       LEU  78   8.916  -0.003  25.881
  560    HG   LEU  78           HG       LEU  78  10.902   0.596  27.338
  561   1HD1  LEU  78          1HD1      LEU  78   9.661  -1.898  26.805
  562   2HD1  LEU  78          2HD1      LEU  78  11.387  -2.214  27.104
  563   3HD1  LEU  78          3HD1      LEU  78  10.422  -1.334  28.313
  564   1HD2  LEU  78          1HD2      LEU  78  12.313  -0.189  24.914
  565   2HD2  LEU  78          2HD2      LEU  78  12.893   0.695  26.346
  566   3HD2  LEU  78          3HD2      LEU  78  12.875  -1.085  26.346
  567    H    ALA  79           HN       ALA  79   8.802  -2.703  24.934
  568    HA   ALA  79           HA       ALA  79  10.747  -4.333  25.835
  569   1HB   ALA  79          1HB       ALA  79   8.066  -4.534  25.329
  570   2HB   ALA  79          2HB       ALA  79   8.722  -5.670  24.126
  571   3HB   ALA  79          3HB       ALA  79   9.090  -5.893  25.852
  572    H    TYR  80           HN       TYR  80  10.072  -3.416  22.473
  573    HA   TYR  80           HA       TYR  80  11.592  -5.505  21.300
  574   1HB   TYR  80          2HB       TYR  80  10.873  -4.367  19.354
  575   2HB   TYR  80          3HB       TYR  80   9.754  -3.646  20.494
  576    HD1  TYR  80           HD1      TYR  80  11.460  -1.719  21.941
  577    HD2  TYR  80           HD2      TYR  80  11.349  -2.710  17.781
  578    HE1  TYR  80           HE1      TYR  80  12.363   0.586  21.361
  579    HE2  TYR  80           HE2      TYR  80  12.252  -0.402  17.214
  580    HH   TYR  80           HH       TYR  80  12.790   1.999  19.768
  Start of MODEL   15
    1    H    SER   1           HN       SER   1  -5.692  -3.599  11.753
    2    HA   SER   1           HA       SER   1  -5.056  -5.552  13.674
    3   1HB   SER   1          2HB       SER   1  -4.350  -6.862  11.554
    4   2HB   SER   1          3HB       SER   1  -6.030  -6.376  11.683
    5    HG   SER   1           HG       SER   1  -5.819  -5.118   9.959
    6    H    HIS   2           HN       HIS   2  -2.944  -5.145  10.823
    7    HA   HIS   2           HA       HIS   2  -0.851  -3.775  11.837
    8   1HB   HIS   2          2HB       HIS   2   0.624  -5.914  12.422
    9   2HB   HIS   2          3HB       HIS   2  -0.264  -5.014  13.634
   10    HD1  HIS   2           HD1      HIS   2  -1.640  -7.645  11.212
   11    HD2  HIS   2           HD2      HIS   2  -1.112  -7.000  15.323
   12    HE1  HIS   2           HE1      HIS   2  -2.781  -9.598  12.393
   13    H    SER   3           HN       SER   3   1.403  -5.040  10.862
   14    HA   SER   3           HA       SER   3   2.452  -5.487   9.017
   15   1HB   SER   3          2HB       SER   3   1.554  -7.697   9.057
   16   2HB   SER   3          3HB       SER   3  -0.039  -7.159   8.564
   17    HG   SER   3           HG       SER   3   1.814  -8.125   6.972
   18    H    VAL   4           HN       VAL   4   2.562  -5.030   6.603
   19    HA   VAL   4           HA       VAL   4   0.369  -3.666   5.402
   20    HB   VAL   4           HB       VAL   4   1.086  -1.912   6.906
   21   1HG1  VAL   4          1HG1      VAL   4   3.242  -1.998   7.559
   22   2HG1  VAL   4          2HG1      VAL   4   3.774  -2.770   6.046
   23   3HG1  VAL   4          3HG1      VAL   4   3.547  -1.006   6.113
   24   1HG2  VAL   4          1HG2      VAL   4   0.918  -1.705   4.091
   25   2HG2  VAL   4          2HG2      VAL   4   0.628  -0.432   5.302
   26   3HG2  VAL   4          3HG2      VAL   4   2.249  -0.636   4.595
   27    H    LYS   5           HN       LYS   5   2.170  -5.978   4.971
   28    HA   LYS   5           HA       LYS   5   4.226  -5.452   3.225
   29   1HB   LYS   5          2HB       LYS   5   2.622  -7.733   4.044
   30   2HB   LYS   5          3HB       LYS   5   3.038  -7.835   2.346
   31   1HG   LYS   5          2HG       LYS   5   5.282  -6.943   4.079
   32   2HG   LYS   5          3HG       LYS   5   4.709  -8.558   4.441
   33   1HD   LYS   5          2HD       LYS   5   4.813  -8.404   1.596
   34   2HD   LYS   5          3HD       LYS   5   6.284  -7.638   2.161
   35   1HE   LYS   5          2HE       LYS   5   6.635  -9.683   3.685
   36   2HE   LYS   5          3HE       LYS   5   5.304 -10.447   2.839
   37   1HZ   LYS   5          1HZ       LYS   5   7.296  -9.302   1.130
   38   2HZ   LYS   5          2HZ       LYS   5   7.829 -10.546   2.042
   39   3HZ   LYS   5          3HZ       LYS   5   6.556 -10.756   1.041
   40    H    ILE   6           HN       ILE   6   4.368  -4.610   1.212
   41    HA   ILE   6           HA       ILE   6   2.204  -3.476  -0.049
   42    HB   ILE   6           HB       ILE   6   3.661  -2.896  -1.723
   43   1HG1  ILE   6          2HG1      ILE   6   4.079  -5.268  -2.444
   44   2HG1  ILE   6          3HG1      ILE   6   5.444  -4.182  -2.614
   45   1HG2  ILE   6          1HG2      ILE   6   5.927  -3.493   0.063
   46   2HG2  ILE   6          2HG2      ILE   6   5.318  -1.938  -0.554
   47   3HG2  ILE   6          3HG2      ILE   6   4.540  -2.703   0.851
   48   1HD1  ILE   6          1HD1      ILE   6   5.133  -5.787  -0.066
   49   2HD1  ILE   6          2HD1      ILE   6   5.809  -6.551  -1.524
   50   3HD1  ILE   6          3HD1      ILE   6   6.614  -5.135  -0.806
   51    H    TYR   7           HN       TYR   7   0.634  -4.154  -1.454
   52    HA   TYR   7           HA       TYR   7   0.940  -6.618  -2.890
   53   1HB   TYR   7          2HB       TYR   7  -0.771  -6.209  -0.397
   54   2HB   TYR   7          3HB       TYR   7  -1.417  -7.231  -1.666
   55    HD1  TYR   7           HD1      TYR   7   0.670  -8.882  -2.619
   56    HD2  TYR   7           HD2      TYR   7   0.099  -7.427   1.364
   57    HE1  TYR   7           HE1      TYR   7   1.999 -10.846  -1.703
   58    HE2  TYR   7           HE2      TYR   7   1.429  -9.397   2.266
   59    HH   TYR   7           HH       TYR   7   3.447 -11.019   0.825
   60    H    ASP   8           HN       ASP   8  -1.344  -7.136  -3.985
   61    HA   ASP   8           HA       ASP   8  -2.066  -4.657  -5.211
   62   1HB   ASP   8          2HB       ASP   8  -3.463  -6.158  -6.691
   63   2HB   ASP   8          3HB       ASP   8  -1.759  -6.566  -6.669
   64    H    THR   9           HN       THR   9  -2.853  -4.670  -2.498
   65    HA   THR   9           HA       THR   9  -5.705  -5.368  -2.537
   66    HB   THR   9           HB       THR   9  -4.439  -6.358  -0.694
   67    HG1  THR   9           1HG      THR   9  -6.519  -5.347  -0.184
   68   1HG2  THR   9          1HG2      THR   9  -3.124  -3.695  -0.679
   69   2HG2  THR   9          2HG2      THR   9  -3.648  -4.232   0.935
   70   3HG2  THR   9          3HG2      THR   9  -2.540  -5.244  -0.024
   71    H    CYS  10           HN       CYS  10  -6.540  -3.674  -3.784
   72    HA   CYS  10           HA       CYS  10  -6.807  -1.246  -2.270
   73   1HB   CYS  10          2HB       CYS  10  -4.705  -1.031  -3.775
   74   2HB   CYS  10          3HB       CYS  10  -5.834  -0.945  -5.112
   75    H    ILE  11           HN       ILE  11  -8.960  -0.691  -2.431
   76    HA   ILE  11           HA       ILE  11 -10.427  -1.824  -4.707
   77    HB   ILE  11           HB       ILE  11 -12.250  -2.135  -3.361
   78   1HG1  ILE  11          2HG1      ILE  11 -12.223   0.262  -2.532
   79   2HG1  ILE  11          3HG1      ILE  11 -12.855  -0.942  -1.427
   80   1HG2  ILE  11          1HG2      ILE  11 -10.605  -3.707  -2.661
   81   2HG2  ILE  11          2HG2      ILE  11  -9.815  -2.511  -1.606
   82   3HG2  ILE  11          3HG2      ILE  11 -11.435  -3.125  -1.198
   83   1HD1  ILE  11          1HD1      ILE  11 -11.392   0.432  -0.116
   84   2HD1  ILE  11          2HD1      ILE  11 -10.488  -1.074  -0.411
   85   3HD1  ILE  11          3HD1      ILE  11 -10.118   0.387  -1.359
   86    H    GLY  12           HN       GLY  12  -9.343   1.083  -3.092
   87   1HA   GLY  12          1HA       GLY  12  -9.383   3.023  -4.614
   88   2HA   GLY  12          2HA       GLY  12 -11.083   2.682  -4.874
   89    H    CYS  13           HN       CYS  13  -9.021   2.708  -1.877
   90    HA   CYS  13           HA       CYS  13 -10.971   4.590  -0.764
   91   1HB   CYS  13          2HB       CYS  13 -11.084   3.388   1.124
   92   2HB   CYS  13          3HB       CYS  13 -10.356   2.087   0.203
   93    H    THR  14           HN       THR  14  -9.789   5.877   1.174
   94    HA   THR  14           HA       THR  14  -7.182   6.750   0.113
   95    HB   THR  14           HB       THR  14  -7.832   8.991   0.663
   96    HG1  THR  14           1HG      THR  14  -9.865   7.516   2.176
   97   1HG2  THR  14          1HG2      THR  14 -10.383   7.506  -0.162
   98   2HG2  THR  14          2HG2      THR  14 -10.199   9.276  -0.178
   99   3HG2  THR  14          3HG2      THR  14  -9.211   8.269  -1.263
  100    H    GLN  15           HN       GLN  15  -6.557   4.750   1.500
  101    HA   GLN  15           HA       GLN  15  -5.737   5.878   4.022
  102   1HB   GLN  15          2HB       GLN  15  -6.781   4.376   5.410
  103   2HB   GLN  15          3HB       GLN  15  -7.952   4.331   4.108
  104   1HG   GLN  15          2HG       GLN  15  -6.740   2.363   3.111
  105   2HG   GLN  15          3HG       GLN  15  -5.617   2.392   4.456
  106   1HE2  GLN  15          1HE2      GLN  15  -6.501   0.142   4.540
  107   2HE2  GLN  15          2HE2      GLN  15  -7.879  -0.157   5.546
  108    H    CYS  16           HN       CYS  16  -3.718   5.058   4.747
  109    HA   CYS  16           HA       CYS  16  -1.927   3.706   4.754
  110   1HB   CYS  16          2HB       CYS  16  -1.842   1.687   3.726
  111   2HB   CYS  16          3HB       CYS  16  -3.558   1.969   3.513
  112    H    VAL  17           HN       VAL  17  -3.254   5.432   1.976
  113    HA   VAL  17           HA       VAL  17  -0.542   5.963   0.997
  114    HB   VAL  17           HB       VAL  17  -3.270   6.242  -0.271
  115   1HG1  VAL  17          1HG1      VAL  17  -0.613   7.355  -1.051
  116   2HG1  VAL  17          2HG1      VAL  17  -1.630   6.667  -2.341
  117   3HG1  VAL  17          3HG1      VAL  17  -2.252   7.993  -1.327
  118   1HG2  VAL  17          1HG2      VAL  17  -1.512   4.051  -0.066
  119   2HG2  VAL  17          2HG2      VAL  17  -2.938   4.204  -1.121
  120   3HG2  VAL  17          3HG2      VAL  17  -1.328   4.664  -1.726
  121    H    ARG  18           HN       ARG  18  -2.077   7.086   3.451
  122    HA   ARG  18           HA       ARG  18  -1.826   9.866   2.616
  123   1HB   ARG  18          2HB       ARG  18  -3.963   8.462   4.078
  124   2HB   ARG  18          3HB       ARG  18  -3.360   9.827   4.996
  125   1HG   ARG  18          2HG       ARG  18  -5.193  10.580   3.554
  126   2HG   ARG  18          3HG       ARG  18  -3.697  11.312   3.008
  127   1HD   ARG  18          2HD       ARG  18  -3.928   8.802   1.634
  128   2HD   ARG  18          3HD       ARG  18  -5.500   9.569   1.542
  129    HE   ARG  18           HE       ARG  18  -2.947  10.677   0.478
  130   1HH1  ARG  18          1HH1      ARG  18  -4.720  12.966  -1.470
  131   2HH1  ARG  18          2HH1      ARG  18  -3.160  12.301  -1.115
  132   1HH2  ARG  18          1HH2      ARG  18  -6.591  12.209  -0.326
  133   2HH2  ARG  18          2HH2      ARG  18  -6.429  10.977   0.882
  134    H    ALA  19           HN       ALA  19  -1.593   7.526   5.385
  135    HA   ALA  19           HA       ALA  19   0.033   9.360   6.895
  136   1HB   ALA  19          1HB       ALA  19   0.092   7.413   8.496
  137   2HB   ALA  19          2HB       ALA  19  -1.548   7.955   8.071
  138   3HB   ALA  19          3HB       ALA  19  -0.875   6.488   7.323
  139    H    CYS  20           HN       CYS  20   1.649   9.581   5.066
  140    HA   CYS  20           HA       CYS  20   3.781   7.724   5.576
  141   1HB   CYS  20          2HB       CYS  20   2.476   6.672   3.693
  142   2HB   CYS  20          3HB       CYS  20   2.836   8.081   2.715
  143    HA   PRO  21           HA       PRO  21   5.124  11.969   5.082
  144   1HB   PRO  21          2HB       PRO  21   7.055  11.917   7.013
  145   2HB   PRO  21          3HB       PRO  21   5.395  12.379   7.331
  146   1HG   PRO  21          2HG       PRO  21   6.778   9.856   8.010
  147   2HG   PRO  21          3HG       PRO  21   5.291  10.504   8.671
  148   1HD   PRO  21          2HD       PRO  21   5.536   8.385   6.754
  149   2HD   PRO  21          3HD       PRO  21   4.049   9.112   7.329
  150    H    LEU  22           HN       LEU  22   7.177   9.144   5.389
  151    HA   LEU  22           HA       LEU  22   9.392  10.298   4.132
  152   1HB   LEU  22          2HB       LEU  22   8.653   7.823   5.271
  153   2HB   LEU  22          3HB       LEU  22   9.193   7.473   3.641
  154    HG   LEU  22           HG       LEU  22  11.098   9.267   4.703
  155   1HD1  LEU  22          1HD1      LEU  22  10.554   7.030   6.671
  156   2HD1  LEU  22          2HD1      LEU  22  11.837   8.260   6.755
  157   3HD1  LEU  22          3HD1      LEU  22  10.133   8.740   6.935
  158   1HD2  LEU  22          1HD2      LEU  22  12.217   6.724   4.839
  159   2HD2  LEU  22          2HD2      LEU  22  10.949   6.582   3.596
  160   3HD2  LEU  22          3HD2      LEU  22  12.217   7.821   3.436
  161    H    ASP  23           HN       ASP  23   6.276   9.373   2.937
  162    HA   ASP  23           HA       ASP  23   5.396   9.388   0.955
  163   1HB   ASP  23          2HB       ASP  23   7.889  10.993   0.501
  164   2HB   ASP  23          3HB       ASP  23   7.094  10.395  -0.943
  165    H    VAL  24           HN       VAL  24   5.881   6.929   1.274
  166    HA   VAL  24           HA       VAL  24   7.754   6.025  -0.804
  167    HB   VAL  24           HB       VAL  24   6.858   4.486   1.633
  168   1HG1  VAL  24          1HG1      VAL  24   9.282   4.072  -0.144
  169   2HG1  VAL  24          2HG1      VAL  24   8.651   2.985   1.118
  170   3HG1  VAL  24          3HG1      VAL  24   7.726   3.239  -0.383
  171   1HG2  VAL  24          1HG2      VAL  24   8.255   5.643   2.925
  172   2HG2  VAL  24          2HG2      VAL  24   9.602   5.286   1.820
  173   3HG2  VAL  24          3HG2      VAL  24   8.603   6.736   1.564
  174    H    LEU  25           HN       LEU  25   4.676   5.235   0.955
  175    HA   LEU  25           HA       LEU  25   3.806   3.327  -0.868
  176   1HB   LEU  25          2HB       LEU  25   2.285   5.152   0.993
  177   2HB   LEU  25          3HB       LEU  25   1.555   3.832   0.103
  178    HG   LEU  25           HG       LEU  25   3.847   2.837   1.530
  179   1HD1  LEU  25          1HD1      LEU  25   2.415   3.279   3.811
  180   2HD1  LEU  25          2HD1      LEU  25   3.864   4.187   3.319
  181   3HD1  LEU  25          3HD1      LEU  25   2.246   4.841   2.975
  182   1HD2  LEU  25          1HD2      LEU  25   1.802   1.614   0.686
  183   2HD2  LEU  25          2HD2      LEU  25   2.320   1.219   2.344
  184   3HD2  LEU  25          3HD2      LEU  25   0.924   2.292   2.078
  185    H    GLU  26           HN       GLU  26   3.737   3.677  -3.035
  186    HA   GLU  26           HA       GLU  26   2.192   6.002  -3.856
  187   1HB   GLU  26          2HB       GLU  26   4.698   5.021  -5.288
  188   2HB   GLU  26          3HB       GLU  26   3.727   6.414  -5.722
  189   1HG   GLU  26          2HG       GLU  26   4.536   7.713  -3.965
  190   2HG   GLU  26          3HG       GLU  26   4.771   6.337  -2.907
  191    H    MET  27           HN       MET  27   2.375   5.439  -6.689
  192    HA   MET  27           HA       MET  27   0.600   3.174  -6.725
  193   1HB   MET  27          2HB       MET  27   0.139   3.975  -9.064
  194   2HB   MET  27          3HB       MET  27  -0.033   5.275  -7.901
  195   1HG   MET  27          2HG       MET  27   1.559   6.486  -8.975
  196   2HG   MET  27          3HG       MET  27   2.733   5.208  -8.729
  197   1HE   MET  27          1HE       MET  27   1.923   6.861 -12.366
  198   2HE   MET  27          2HE       MET  27   0.228   6.627 -11.872
  199   3HE   MET  27          3HE       MET  27   1.384   7.389 -10.753
  200    H    VAL  28           HN       VAL  28   0.964   1.227  -7.834
  201    HA   VAL  28           HA       VAL  28   3.610   0.985  -9.089
  202    HB   VAL  28           HB       VAL  28   4.091  -0.918  -7.948
  203   1HG1  VAL  28          1HG1      VAL  28   2.201   0.272  -5.901
  204   2HG1  VAL  28          2HG1      VAL  28   3.735  -0.587  -5.620
  205   3HG1  VAL  28          3HG1      VAL  28   3.744   1.035  -6.355
  206   1HG2  VAL  28          1HG2      VAL  28   1.939  -2.032  -6.654
  207   2HG2  VAL  28          2HG2      VAL  28   1.195  -1.418  -8.149
  208   3HG2  VAL  28          3HG2      VAL  28   2.567  -2.550  -8.236
  209    HA   PRO  29           HA       PRO  29   1.572  -1.028 -12.338
  210   1HB   PRO  29          2HB       PRO  29   3.014  -3.280 -12.906
  211   2HB   PRO  29          3HB       PRO  29   3.515  -1.673 -13.393
  212   1HG   PRO  29          2HG       PRO  29   4.581  -3.367 -11.217
  213   2HG   PRO  29          3HG       PRO  29   5.319  -1.976 -11.986
  214   1HD   PRO  29          2HD       PRO  29   4.062  -2.045  -9.409
  215   2HD   PRO  29          3HD       PRO  29   4.697  -0.632 -10.228
  216    H    TRP  30           HN       TRP  30  -0.486  -1.647 -12.190
  217    HA   TRP  30           HA       TRP  30  -0.848  -4.341 -11.104
  218   1HB   TRP  30          2HB       TRP  30  -1.325  -2.799  -9.282
  219   2HB   TRP  30          3HB       TRP  30  -2.439  -1.902 -10.294
  220    HD1  TRP  30           HD1      TRP  30  -4.905  -2.543  -9.763
  221    HE1  TRP  30           HE1      TRP  30  -6.283  -4.644  -8.957
  222    HE3  TRP  30           HE3      TRP  30  -0.929  -5.700  -9.480
  223    HZ2  TRP  30           HZ2      TRP  30  -5.573  -7.329  -8.306
  224    HZ3  TRP  30           HZ3      TRP  30  -1.358  -8.045  -8.751
  225    HH2  TRP  30           HH2      TRP  30  -3.583  -8.875  -8.173
  226    H    ASP  31           HN       ASP  31  -3.329  -4.949 -11.632
  227    HA   ASP  31           HA       ASP  31  -4.056  -3.739 -14.161
  228   1HB   ASP  31          2HB       ASP  31  -2.653  -6.037 -14.241
  229   2HB   ASP  31          3HB       ASP  31  -4.220  -6.742 -13.893
  230    H    GLY  32           HN       GLY  32  -5.490  -2.994 -12.076
  231   1HA   GLY  32          1HA       GLY  32  -7.962  -4.523 -12.251
  232   2HA   GLY  32          2HA       GLY  32  -7.231  -4.416 -10.661
  233    H    CYS  33           HN       CYS  33  -6.035  -1.718 -11.112
  234    HA   CYS  33           HA       CYS  33  -8.335  -0.225 -10.363
  235   1HB   CYS  33          2HB       CYS  33  -5.488   0.032 -10.107
  236   2HB   CYS  33          3HB       CYS  33  -6.109   1.499 -10.836
  237    HG   CYS  33           HG       CYS  33  -6.565   0.126  -7.934
  238    H    LYS  34           HN       LYS  34  -8.739   2.002 -11.482
  239    HA   LYS  34           HA       LYS  34  -9.412   1.535 -14.148
  240   1HB   LYS  34          2HB       LYS  34  -9.638   3.694 -12.186
  241   2HB   LYS  34          3HB       LYS  34  -9.403   4.295 -13.815
  242   1HG   LYS  34          2HG       LYS  34 -11.592   3.882 -14.228
  243   2HG   LYS  34          3HG       LYS  34 -11.250   2.167 -14.104
  244   1HD   LYS  34          2HD       LYS  34 -11.728   3.824 -11.602
  245   2HD   LYS  34          3HD       LYS  34 -13.081   3.216 -12.535
  246   1HE   LYS  34          2HE       LYS  34 -11.597   0.925 -12.357
  247   2HE   LYS  34          3HE       LYS  34 -11.091   1.712 -10.875
  248   1HZ   LYS  34          1HZ       LYS  34 -13.214   0.276 -10.938
  249   2HZ   LYS  34          2HZ       LYS  34 -13.189   1.642 -10.043
  250   3HZ   LYS  34          3HZ       LYS  34 -13.926   1.633 -11.500
  251    H    ALA  35           HN       ALA  35  -6.435   2.574 -12.613
  252    HA   ALA  35           HA       ALA  35  -5.370   3.223 -15.278
  253   1HB   ALA  35          1HB       ALA  35  -5.401   5.150 -13.734
  254   2HB   ALA  35          2HB       ALA  35  -4.488   4.206 -12.532
  255   3HB   ALA  35          3HB       ALA  35  -3.734   4.638 -14.085
  256    H    GLY  36           HN       GLY  36  -5.774   0.559 -13.863
  257   1HA   GLY  36          1HA       GLY  36  -4.591  -1.283 -13.275
  258   2HA   GLY  36          2HA       GLY  36  -3.636  -0.843 -14.677
  259    H    GLN  37           HN       GLN  37  -3.994   0.613 -11.360
  260    HA   GLN  37           HA       GLN  37  -1.235  -0.046 -10.862
  261   1HB   GLN  37          2HB       GLN  37  -0.810   2.368 -10.105
  262   2HB   GLN  37          3HB       GLN  37  -0.871   2.098 -11.835
  263   1HG   GLN  37          2HG       GLN  37  -2.488   3.682 -11.965
  264   2HG   GLN  37          3HG       GLN  37  -3.560   2.593 -11.108
  265   1HE2  GLN  37          1HE2      GLN  37  -4.214   3.060  -9.120
  266   2HE2  GLN  37          2HE2      GLN  37  -3.664   4.383  -8.146
  267    H    ILE  38           HN       ILE  38  -1.107  -0.857  -8.813
  268    HA   ILE  38           HA       ILE  38  -3.297  -0.177  -6.998
  269    HB   ILE  38           HB       ILE  38  -2.593  -2.583  -7.758
  270   1HG1  ILE  38          2HG1      ILE  38  -3.001  -2.875  -4.945
  271   2HG1  ILE  38          3HG1      ILE  38  -3.903  -1.468  -5.472
  272   1HG2  ILE  38          1HG2      ILE  38  -0.193  -2.134  -6.994
  273   2HG2  ILE  38          2HG2      ILE  38  -0.812  -2.328  -5.337
  274   3HG2  ILE  38          3HG2      ILE  38  -0.941  -3.671  -6.498
  275   1HD1  ILE  38          1HD1      ILE  38  -4.059  -4.271  -6.667
  276   2HD1  ILE  38          2HD1      ILE  38  -5.319  -3.439  -5.726
  277   3HD1  ILE  38          3HD1      ILE  38  -4.885  -2.850  -7.348
  278    H    ALA  39           HN       ALA  39  -2.927   1.310  -5.451
  279    HA   ALA  39           HA       ALA  39  -0.473   2.524  -5.077
  280   1HB   ALA  39          1HB       ALA  39  -1.746   3.046  -2.744
  281   2HB   ALA  39          2HB       ALA  39  -2.180   3.827  -4.284
  282   3HB   ALA  39          3HB       ALA  39  -3.117   2.431  -3.699
  283    H    SER  40           HN       SER  40   1.355   1.400  -4.544
  284    HA   SER  40           HA       SER  40   1.299   0.088  -1.988
  285   1HB   SER  40          2HB       SER  40   1.959  -1.333  -4.589
  286   2HB   SER  40          3HB       SER  40   2.643  -1.875  -3.070
  287    HG   SER  40           HG       SER  40   0.510  -2.850  -3.838
  288    H    SER  41           HN       SER  41   3.836  -0.910  -1.800
  289    HA   SER  41           HA       SER  41   5.475   1.350  -2.646
  290   1HB   SER  41          2HB       SER  41   5.182  -0.040  -0.027
  291   2HB   SER  41          3HB       SER  41   6.836   0.298  -0.498
  292    HG   SER  41           HG       SER  41   6.286   2.176   0.483
  293    HA   PRO  42           HA       PRO  42   7.366  -2.176  -4.628
  294   1HB   PRO  42          2HB       PRO  42   8.369  -0.825  -6.781
  295   2HB   PRO  42          3HB       PRO  42   6.775  -1.551  -6.765
  296   1HG   PRO  42          2HG       PRO  42   7.513   1.302  -6.541
  297   2HG   PRO  42          3HG       PRO  42   5.960   0.599  -6.948
  298   1HD   PRO  42          2HD       PRO  42   6.718   1.743  -4.430
  299   2HD   PRO  42          3HD       PRO  42   5.208   0.935  -4.802
  300    H    ARG  43           HN       ARG  43   8.976   0.972  -4.594
  301    HA   ARG  43           HA       ARG  43  11.421  -0.455  -4.052
  302   1HB   ARG  43          2HB       ARG  43  11.029   2.553  -4.431
  303   2HB   ARG  43          3HB       ARG  43  12.544   1.678  -4.519
  304   1HG   ARG  43          2HG       ARG  43  10.229   1.025  -6.384
  305   2HG   ARG  43          3HG       ARG  43  11.368   2.302  -6.760
  306   1HD   ARG  43          2HD       ARG  43  12.593   0.632  -7.743
  307   2HD   ARG  43          3HD       ARG  43  13.107   0.264  -6.109
  308    HE   ARG  43           HE       ARG  43  10.607  -1.053  -6.618
  309   1HH1  ARG  43          1HH1      ARG  43  11.988  -4.115  -7.565
  310   2HH1  ARG  43          2HH1      ARG  43  10.553  -3.298  -7.042
  311   1HH2  ARG  43          1HH2      ARG  43  13.965  -2.930  -7.832
  312   2HH2  ARG  43          2HH2      ARG  43  14.005  -1.229  -7.511
  313    H    THR  44           HN       THR  44  10.796  -1.103  -1.832
  314    HA   THR  44           HA       THR  44  10.406   1.062   0.071
  315    HB   THR  44           HB       THR  44  10.289  -1.991   0.176
  316    HG1  THR  44           1HG      THR  44   8.387   0.159   0.756
  317   1HG2  THR  44          1HG2      THR  44  10.691  -1.741   2.438
  318   2HG2  THR  44          2HG2      THR  44  10.459   0.022   2.375
  319   3HG2  THR  44          3HG2      THR  44   9.048  -1.059   2.466
  320    H    GLU  45           HN       GLU  45  12.991   0.684  -1.457
  321    HA   GLU  45           HA       GLU  45  14.937  -0.471  -0.017
  322   1HB   GLU  45          2HB       GLU  45  16.477   1.000  -1.127
  323   2HB   GLU  45          3HB       GLU  45  15.132   0.771  -2.228
  324   1HG   GLU  45          2HG       GLU  45  14.177   2.933  -1.654
  325   2HG   GLU  45          3HG       GLU  45  15.273   3.130  -0.301
  326    H    ASP  46           HN       ASP  46  13.022   2.356   0.843
  327    HA   ASP  46           HA       ASP  46  14.460   2.434   3.346
  328   1HB   ASP  46          2HB       ASP  46  14.280   4.634   1.335
  329   2HB   ASP  46          3HB       ASP  46  13.908   5.113   2.979
  330    H    CYS  47           HN       CYS  47  12.623   1.638   4.488
  331    HA   CYS  47           HA       CYS  47  10.683   3.327   5.308
  332   1HB   CYS  47          2HB       CYS  47   9.537   3.635   3.333
  333   2HB   CYS  47          3HB       CYS  47   9.917   2.039   2.717
  334    H    VAL  48           HN       VAL  48   9.705   2.307   7.078
  335    HA   VAL  48           HA       VAL  48   9.034  -0.402   7.138
  336    HB   VAL  48           HB       VAL  48  11.455  -0.733   7.063
  337   1HG1  VAL  48          1HG1      VAL  48  11.405   1.335   9.177
  338   2HG1  VAL  48          2HG1      VAL  48  12.496  -0.036   9.488
  339   3HG1  VAL  48          3HG1      VAL  48  12.675   0.924   7.999
  340   1HG2  VAL  48          1HG2      VAL  48  11.663  -2.099   9.165
  341   2HG2  VAL  48          2HG2      VAL  48  10.111  -1.407   9.698
  342   3HG2  VAL  48          3HG2      VAL  48  10.183  -2.403   8.225
  343    H    GLY  49           HN       GLY  49   7.453   1.618   7.711
  344   1HA   GLY  49          1HA       GLY  49   6.053   2.355   9.316
  345   2HA   GLY  49          2HA       GLY  49   6.838   1.285  10.461
  346    H    CYS  50           HN       CYS  50   6.458   4.555   9.391
  347    HA   CYS  50           HA       CYS  50   8.578   5.360  11.247
  348   1HB   CYS  50          2HB       CYS  50   9.075   7.278   9.894
  349   2HB   CYS  50          3HB       CYS  50   9.166   5.856   8.874
  350    H    LYS  51           HN       LYS  51   5.460   6.246   9.604
  351    HA   LYS  51           HA       LYS  51   4.644   7.494  12.131
  352   1HB   LYS  51          2HB       LYS  51   5.283   8.995   9.998
  353   2HB   LYS  51          3HB       LYS  51   3.623   8.632   9.572
  354   1HG   LYS  51          2HG       LYS  51   2.743   9.752  11.432
  355   2HG   LYS  51          3HG       LYS  51   4.170   9.481  12.411
  356   1HD   LYS  51          2HD       LYS  51   4.085  11.364  10.007
  357   2HD   LYS  51          3HD       LYS  51   3.870  11.886  11.666
  358   1HE   LYS  51          2HE       LYS  51   6.292  10.214  11.256
  359   2HE   LYS  51          3HE       LYS  51   6.312  11.710  10.344
  360   1HZ   LYS  51          1HZ       LYS  51   5.729  11.562  13.219
  361   2HZ   LYS  51          2HZ       LYS  51   7.199  11.910  12.598
  362   3HZ   LYS  51          3HZ       LYS  51   5.942  12.920  12.337
  363    H    ARG  52           HN       ARG  52   4.200   4.810  11.665
  364    HA   ARG  52           HA       ARG  52   2.611   3.345  11.717
  365   1HB   ARG  52          2HB       ARG  52   1.156   5.842  12.245
  366   2HB   ARG  52          3HB       ARG  52   0.127   4.691  11.416
  367   1HG   ARG  52          2HG       ARG  52   0.667   2.955  13.121
  368   2HG   ARG  52          3HG       ARG  52   1.741   4.074  13.937
  369   1HD   ARG  52          2HD       ARG  52  -0.021   5.387  14.767
  370   2HD   ARG  52          3HD       ARG  52  -1.101   4.967  13.454
  371    HE   ARG  52           HE       ARG  52  -0.373   2.709  15.199
  372   1HH1  ARG  52          1HH1      ARG  52  -3.597   2.513  16.519
  373   2HH1  ARG  52          2HH1      ARG  52  -2.060   1.728  16.390
  374   1HH2  ARG  52          1HH2      ARG  52  -3.945   4.561  15.485
  375   2HH2  ARG  52          2HH2      ARG  52  -2.668   5.304  14.582
  376    H    CYS  53           HN       CYS  53   0.852   2.278  10.315
  377    HA   CYS  53           HA       CYS  53  -0.144   3.238   8.009
  378   1HB   CYS  53          2HB       CYS  53   1.509   2.236   6.294
  379   2HB   CYS  53          3HB       CYS  53   1.858   3.816   6.968
  380    H    GLU  54           HN       GLU  54  -0.795   1.434  10.081
  381    HA   GLU  54           HA       GLU  54  -0.470  -1.189   8.901
  382   1HB   GLU  54          2HB       GLU  54  -1.468  -0.243  11.616
  383   2HB   GLU  54          3HB       GLU  54  -1.588  -1.915  11.106
  384   1HG   GLU  54          2HG       GLU  54   0.870  -2.024  10.784
  385   2HG   GLU  54          3HG       GLU  54   1.021  -0.328  11.197
  386    H    THR  55           HN       THR  55  -2.049   0.490   7.332
  387    HA   THR  55           HA       THR  55  -4.664  -0.779   7.668
  388    HB   THR  55           HB       THR  55  -4.758   1.516   8.695
  389    HG1  THR  55           1HG      THR  55  -6.471   0.431   7.263
  390   1HG2  THR  55          1HG2      THR  55  -3.029   2.618   7.207
  391   2HG2  THR  55          2HG2      THR  55  -4.150   2.437   5.837
  392   3HG2  THR  55          3HG2      THR  55  -4.584   3.483   7.210
  393    H    ALA  56           HN       ALA  56  -2.519  -1.616   6.013
  394    HA   ALA  56           HA       ALA  56  -2.400  -0.591   3.500
  395   1HB   ALA  56          1HB       ALA  56  -0.953  -2.352   3.847
  396   2HB   ALA  56          2HB       ALA  56  -2.167  -3.323   4.714
  397   3HB   ALA  56          3HB       ALA  56  -2.225  -3.204   2.939
  398    H    CYS  57           HN       CYS  57  -4.881  -2.856   4.855
  399    HA   CYS  57           HA       CYS  57  -6.936  -1.759   3.362
  400   1HB   CYS  57          2HB       CYS  57  -5.330  -3.453   1.753
  401   2HB   CYS  57          3HB       CYS  57  -6.789  -4.357   2.105
  402    HA   PRO  58           HA       PRO  58  -8.911  -4.333   6.269
  403   1HB   PRO  58          2HB       PRO  58 -11.480  -4.388   5.338
  404   2HB   PRO  58          3HB       PRO  58 -10.819  -3.043   6.246
  405   1HG   PRO  58          2HG       PRO  58 -11.367  -3.231   3.348
  406   2HG   PRO  58          3HG       PRO  58 -11.118  -1.799   4.328
  407   1HD   PRO  58          2HD       PRO  58  -9.229  -3.001   2.535
  408   2HD   PRO  58          3HD       PRO  58  -8.943  -1.640   3.601
  409    H    THR  59           HN       THR  59  -7.315  -5.892   4.864
  410    HA   THR  59           HA       THR  59  -7.032  -8.006   4.236
  411    HB   THR  59           HB       THR  59  -9.823  -8.781   5.085
  412    HG1  THR  59           1HG      THR  59  -9.327  -8.118   7.204
  413   1HG2  THR  59          1HG2      THR  59  -6.979  -9.794   5.439
  414   2HG2  THR  59          2HG2      THR  59  -8.245 -10.291   6.587
  415   3HG2  THR  59          3HG2      THR  59  -8.410 -10.679   4.857
  416    H    ASP  60           HN       ASP  60  -9.240  -9.841   3.305
  417    HA   ASP  60           HA       ASP  60 -10.521 -10.184   1.541
  418   1HB   ASP  60          2HB       ASP  60 -10.690  -7.459   1.563
  419   2HB   ASP  60          3HB       ASP  60  -9.785  -7.669   0.077
  420    H    PHE  61           HN       PHE  61  -7.462  -8.315   1.019
  421    HA   PHE  61           HA       PHE  61  -6.798 -10.158  -1.163
  422   1HB   PHE  61          2HB       PHE  61  -6.164  -7.278  -0.396
  423   2HB   PHE  61          3HB       PHE  61  -4.985  -8.143  -1.362
  424    HD1  PHE  61           1HD      PHE  61  -5.859  -9.239  -3.547
  425    HD2  PHE  61           2HD      PHE  61  -7.948  -6.207  -1.437
  426    HE1  PHE  61           1HE      PHE  61  -7.154  -8.685  -5.625
  427    HE2  PHE  61           2HE      PHE  61  -9.243  -5.653  -3.515
  428    HZ   PHE  61           HZ       PHE  61  -8.830  -6.900  -5.584
  429    H    LEU  62           HN       LEU  62  -5.128  -8.192   1.410
  430    HA   LEU  62           HA       LEU  62  -2.990 -10.109   1.479
  431   1HB   LEU  62          2HB       LEU  62  -1.829  -8.552   2.653
  432   2HB   LEU  62          3HB       LEU  62  -2.924  -7.526   1.747
  433    HG   LEU  62           HG       LEU  62  -3.842  -8.377   4.447
  434   1HD1  LEU  62          1HD1      LEU  62  -1.672  -7.939   5.163
  435   2HD1  LEU  62          2HD1      LEU  62  -1.440  -6.622   3.989
  436   3HD1  LEU  62          3HD1      LEU  62  -2.503  -6.382   5.395
  437   1HD2  LEU  62          1HD2      LEU  62  -4.106  -5.998   2.644
  438   2HD2  LEU  62          2HD2      LEU  62  -5.360  -6.959   3.466
  439   3HD2  LEU  62          3HD2      LEU  62  -4.371  -5.806   4.395
  440    H    SER  63           HN       SER  63  -2.642 -11.720   2.971
  441    HA   SER  63           HA       SER  63  -4.887 -12.208   4.724
  442   1HB   SER  63          2HB       SER  63  -3.997 -14.486   4.910
  443   2HB   SER  63          3HB       SER  63  -4.113 -14.030   3.221
  444    HG   SER  63           HG       SER  63  -2.050 -14.578   3.108
  445    H    ILE  64           HN       ILE  64  -3.193 -10.018   5.455
  446    HA   ILE  64           HA       ILE  64  -1.814  -9.250   7.025
  447    HB   ILE  64           HB       ILE  64  -3.456 -11.261   8.559
  448   1HG1  ILE  64          2HG1      ILE  64  -4.418  -8.837   9.243
  449   2HG1  ILE  64          3HG1      ILE  64  -3.855  -8.463   7.626
  450   1HG2  ILE  64          1HG2      ILE  64  -2.493  -9.028  10.130
  451   2HG2  ILE  64          2HG2      ILE  64  -2.403 -10.776  10.453
  452   3HG2  ILE  64          3HG2      ILE  64  -1.142  -9.986   9.476
  453   1HD1  ILE  64          1HD1      ILE  64  -6.003  -9.235   7.154
  454   2HD1  ILE  64          2HD1      ILE  64  -5.085 -10.753   7.005
  455   3HD1  ILE  64          3HD1      ILE  64  -5.991 -10.403   8.496
  456    H    ARG  65           HN       ARG  65   0.240  -9.815   6.231
  457    HA   ARG  65           HA       ARG  65   1.238 -12.414   6.773
  458   1HB   ARG  65          2HB       ARG  65   1.949 -10.162   5.107
  459   2HB   ARG  65          3HB       ARG  65   3.351 -10.559   6.081
  460   1HG   ARG  65          2HG       ARG  65   3.490 -11.893   4.068
  461   2HG   ARG  65          3HG       ARG  65   3.083 -12.986   5.376
  462   1HD   ARG  65          2HD       ARG  65   0.645 -12.797   4.731
  463   2HD   ARG  65          3HD       ARG  65   1.105 -11.782   3.379
  464    HE   ARG  65           HE       ARG  65   1.832 -13.685   2.228
  465   1HH1  ARG  65          1HH1      ARG  65   2.236 -16.982   3.300
  466   2HH1  ARG  65          2HH1      ARG  65   2.223 -15.917   1.933
  467   1HH2  ARG  65          1HH2      ARG  65   1.855 -16.141   5.429
  468   2HH2  ARG  65          2HH2      ARG  65   1.559 -14.449   5.651
  469    H    VAL  66           HN       VAL  66   0.749  -9.675   8.667
  470    HA   VAL  66           HA       VAL  66   1.525  -8.948  10.603
  471    HB   VAL  66           HB       VAL  66   2.622 -11.762  10.744
  472   1HG1  VAL  66          1HG1      VAL  66   3.183 -11.477  12.953
  473   2HG1  VAL  66          2HG1      VAL  66   3.543  -9.846  12.339
  474   3HG1  VAL  66          3HG1      VAL  66   2.016 -10.156  13.197
  475   1HG2  VAL  66          1HG2      VAL  66   0.478 -11.594  12.463
  476   2HG2  VAL  66          2HG2      VAL  66  -0.045 -10.574  11.102
  477   3HG2  VAL  66          3HG2      VAL  66   0.431 -12.265  10.814
  478    H    TYR  67           HN       TYR  67   2.941  -7.287  10.323
  479    HA   TYR  67           HA       TYR  67   5.756  -8.041   9.985
  480   1HB   TYR  67          2HB       TYR  67   3.920  -6.623   8.213
  481   2HB   TYR  67          3HB       TYR  67   5.072  -5.449   8.819
  482    HD1  TYR  67           HD1      TYR  67   5.071  -8.928   7.397
  483    HD2  TYR  67           HD2      TYR  67   7.012  -5.121   7.593
  484    HE1  TYR  67           HE1      TYR  67   6.774  -9.700   5.675
  485    HE2  TYR  67           HE2      TYR  67   8.709  -5.906   5.871
  486    HH   TYR  67           HH       TYR  67   9.191  -9.059   5.124
  487    H    LEU  68           HN       LEU  68   3.797  -5.002  10.367
  488    HA   LEU  68           HA       LEU  68   5.557  -3.601  11.855
  489   1HB   LEU  68          2HB       LEU  68   2.761  -3.519  11.251
  490   2HB   LEU  68          3HB       LEU  68   2.982  -3.101  12.938
  491    HG   LEU  68           HG       LEU  68   3.039  -1.055  11.816
  492   1HD1  LEU  68          1HD1      LEU  68   5.093  -1.707  13.341
  493   2HD1  LEU  68          2HD1      LEU  68   5.997  -1.492  11.822
  494   3HD1  LEU  68          3HD1      LEU  68   5.032  -0.149  12.482
  495   1HD2  LEU  68          1HD2      LEU  68   3.172  -1.884   9.537
  496   2HD2  LEU  68          2HD2      LEU  68   4.371  -0.594   9.800
  497   3HD2  LEU  68          3HD2      LEU  68   4.890  -2.297   9.761
  498    H    GLY  69           HN       GLY  69   6.523  -3.782  13.809
  499   1HA   GLY  69          1HA       GLY  69   7.148  -4.852  15.713
  500   2HA   GLY  69          2HA       GLY  69   5.526  -4.408  16.205
  501    H    ALA  70           HN       ALA  70   7.368  -6.980  14.439
  502    HA   ALA  70           HA       ALA  70   5.886  -8.984  15.877
  503   1HB   ALA  70          1HB       ALA  70   5.208  -8.212  13.123
  504   2HB   ALA  70          2HB       ALA  70   5.614  -9.938  13.280
  505   3HB   ALA  70          3HB       ALA  70   4.315  -9.234  14.274
  506    H    GLU  71           HN       GLU  71   8.092  -8.271  13.084
  507    HA   GLU  71           HA       GLU  71   9.439 -10.670  13.201
  508   1HB   GLU  71          2HB       GLU  71   9.975  -7.947  12.065
  509   2HB   GLU  71          3HB       GLU  71  11.354  -9.019  12.208
  510   1HG   GLU  71          2HG       GLU  71   9.515 -10.755  11.141
  511   2HG   GLU  71          3HG       GLU  71   8.943  -9.249  10.452
  512    H    THR  72           HN       THR  72  10.755  -7.454  14.295
  513    HA   THR  72           HA       THR  72  12.450  -7.051  15.729
  514    HB   THR  72           HB       THR  72  11.713  -7.650  18.078
  515    HG1  THR  72           1HG      THR  72  10.887  -9.801  17.160
  516   1HG2  THR  72          1HG2      THR  72  10.480  -5.850  16.538
  517   2HG2  THR  72          2HG2      THR  72   9.177  -7.062  16.522
  518   3HG2  THR  72          3HG2      THR  72   9.727  -6.368  18.066
  519    H    THR  73           HN       THR  73  13.926  -8.411  14.358
  520    HA   THR  73           HA       THR  73  15.392 -10.124  16.087
  521    HB   THR  73           HB       THR  73  13.613 -11.727  15.466
  522    HG1  THR  73           1HG      THR  73  15.191 -13.138  14.150
  523   1HG2  THR  73          1HG2      THR  73  14.498 -11.641  12.582
  524   2HG2  THR  73          2HG2      THR  73  12.943 -12.171  13.266
  525   3HG2  THR  73          3HG2      THR  73  13.300 -10.435  13.110
  526    H    ARG  74           HN       ARG  74  14.715  -9.163  12.672
  527    HA   ARG  74           HA       ARG  74  17.604  -9.014  12.365
  528   1HB   ARG  74          2HB       ARG  74  17.190  -9.200   9.916
  529   2HB   ARG  74          3HB       ARG  74  16.494 -10.561  10.773
  530   1HG   ARG  74          2HG       ARG  74  14.412  -8.691  10.800
  531   2HG   ARG  74          3HG       ARG  74  15.148  -8.423   9.233
  532   1HD   ARG  74          2HD       ARG  74  14.537 -11.250  10.167
  533   2HD   ARG  74          3HD       ARG  74  13.272 -10.260   9.467
  534    HE   ARG  74           HE       ARG  74  15.460 -11.512   8.038
  535   1HH1  ARG  74          1HH1      ARG  74  14.833  -9.841   5.039
  536   2HH1  ARG  74          2HH1      ARG  74  15.660 -11.167   5.788
  537   1HH2  ARG  74          1HH2      ARG  74  13.523  -8.418   6.321
  538   2HH2  ARG  74          2HH2      ARG  74  13.371  -8.680   8.026
  539    H    SER  75           HN       SER  75  14.518  -7.294  12.284
  540    HA   SER  75           HA       SER  75  15.975  -4.897  11.481
  541   1HB   SER  75          2HB       SER  75  14.004  -4.058  10.406
  542   2HB   SER  75          3HB       SER  75  14.182  -5.715   9.865
  543    HG   SER  75           HG       SER  75  12.428  -4.800  11.985
  544    H    MET  76           HN       MET  76  15.041  -6.462  14.139
  545    HA   MET  76           HA       MET  76  13.236  -5.204  15.568
  546   1HB   MET  76          2HB       MET  76  14.499  -6.871  16.698
  547   2HB   MET  76          3HB       MET  76  16.035  -6.174  16.220
  548   1HG   MET  76          2HG       MET  76  15.683  -4.272  17.789
  549   2HG   MET  76          3HG       MET  76  14.113  -4.910  18.236
  550   1HE   MET  76          1HE       MET  76  16.963  -5.479  21.113
  551   2HE   MET  76          2HE       MET  76  17.228  -4.368  19.747
  552   3HE   MET  76          3HE       MET  76  15.665  -4.376  20.599
  553    H    GLY  77           HN       GLY  77  16.681  -4.016  15.511
  554   1HA   GLY  77          1HA       GLY  77  16.510  -1.471  14.886
  555   2HA   GLY  77          2HA       GLY  77  15.757  -1.410  16.467
  556    H    LEU  78           HN       LEU  78  18.462  -3.527  15.317
  557    HA   LEU  78           HA       LEU  78  20.160  -2.193  17.310
  558   1HB   LEU  78          2HB       LEU  78  19.806  -4.211  18.315
  559   2HB   LEU  78          3HB       LEU  78  19.611  -5.074  16.801
  560    HG   LEU  78           HG       LEU  78  21.660  -5.655  18.137
  561   1HD1  LEU  78          1HD1      LEU  78  22.741  -6.284  16.259
  562   2HD1  LEU  78          2HD1      LEU  78  21.270  -5.669  15.468
  563   3HD1  LEU  78          3HD1      LEU  78  22.724  -4.646  15.562
  564   1HD2  LEU  78          1HD2      LEU  78  22.434  -2.830  17.387
  565   2HD2  LEU  78          2HD2      LEU  78  22.362  -3.567  19.007
  566   3HD2  LEU  78          3HD2      LEU  78  23.617  -4.077  17.850
  567    H    ALA  79           HN       ALA  79  20.290  -4.375  14.400
  568    HA   ALA  79           HA       ALA  79  22.825  -3.222  13.668
  569   1HB   ALA  79          1HB       ALA  79  22.802  -5.466  13.141
  570   2HB   ALA  79          2HB       ALA  79  21.061  -5.475  12.771
  571   3HB   ALA  79          3HB       ALA  79  22.217  -4.805  11.596
  572    H    TYR  80           HN       TYR  80  19.375  -2.910  12.857
  573    HA   TYR  80           HA       TYR  80  19.302  -1.856  10.415
  574   1HB   TYR  80          2HB       TYR  80  17.348  -0.665  11.273
  575   2HB   TYR  80          3HB       TYR  80  17.521  -2.062  12.315
  576    HD1  TYR  80           HD1      TYR  80  19.459  -1.430  14.291
  577    HD2  TYR  80           HD2      TYR  80  16.635   1.199  12.443
  578    HE1  TYR  80           HE1      TYR  80  19.545   0.100  16.321
  579    HE2  TYR  80           HE2      TYR  80  16.731   2.720  14.478
  580    HH   TYR  80           HH       TYR  80  17.574   1.940  17.270
  Start of MODEL   16
    1    H    SER   1           HN       SER   1  -5.766  -4.333   7.802
    2    HA   SER   1           HA       SER   1  -5.568  -3.049  10.256
    3   1HB   SER   1          2HB       SER   1  -6.156  -5.343  11.179
    4   2HB   SER   1          3HB       SER   1  -7.251  -4.735   9.954
    5    HG   SER   1           HG       SER   1  -6.821  -6.470   8.794
    6    H    HIS   2           HN       HIS   2  -3.791  -5.968   8.984
    7    HA   HIS   2           HA       HIS   2  -1.521  -5.110  10.615
    8   1HB   HIS   2          2HB       HIS   2  -2.381  -7.997  10.328
    9   2HB   HIS   2          3HB       HIS   2  -1.092  -7.362  11.331
   10    HD1  HIS   2           HD1      HIS   2  -4.676  -8.175  11.371
   11    HD2  HIS   2           HD2      HIS   2  -2.080  -5.730  13.580
   12    HE1  HIS   2           HE1      HIS   2  -5.897  -7.612  13.539
   13    H    SER   3           HN       SER   3   0.561  -5.616   9.724
   14    HA   SER   3           HA       SER   3   2.000  -5.819   8.115
   15   1HB   SER   3          2HB       SER   3   1.998  -7.790   6.822
   16   2HB   SER   3          3HB       SER   3   1.014  -8.222   8.207
   17    HG   SER   3           HG       SER   3   0.239  -8.660   5.846
   18    H    VAL   4           HN       VAL   4   2.472  -5.300   5.772
   19    HA   VAL   4           HA       VAL   4   0.266  -4.386   4.180
   20    HB   VAL   4           HB       VAL   4   0.551  -2.530   5.754
   21   1HG1  VAL   4          1HG1      VAL   4   3.391  -2.944   5.118
   22   2HG1  VAL   4          2HG1      VAL   4   2.882  -1.239   5.057
   23   3HG1  VAL   4          3HG1      VAL   4   2.629  -2.190   6.539
   24   1HG2  VAL   4          1HG2      VAL   4   1.263  -0.787   3.870
   25   2HG2  VAL   4          2HG2      VAL   4   1.120  -2.227   2.834
   26   3HG2  VAL   4          3HG2      VAL   4  -0.276  -1.679   3.794
   27    H    LYS   5           HN       LYS   5   1.891  -6.470   3.611
   28    HA   LYS   5           HA       LYS   5   4.335  -5.876   2.438
   29   1HB   LYS   5          2HB       LYS   5   2.520  -8.128   2.642
   30   2HB   LYS   5          3HB       LYS   5   3.212  -8.046   1.035
   31   1HG   LYS   5          2HG       LYS   5   4.892  -7.835   3.574
   32   2HG   LYS   5          3HG       LYS   5   4.577  -9.358   2.765
   33   1HD   LYS   5          2HD       LYS   5   5.726  -6.999   1.230
   34   2HD   LYS   5          3HD       LYS   5   6.771  -8.044   2.170
   35   1HE   LYS   5          2HE       LYS   5   5.674 -10.026   0.889
   36   2HE   LYS   5          3HE       LYS   5   5.011  -8.817  -0.194
   37   1HZ   LYS   5          1HZ       LYS   5   7.768  -9.602   0.184
   38   2HZ   LYS   5          2HZ       LYS   5   6.973  -9.228  -1.191
   39   3HZ   LYS   5          3HZ       LYS   5   7.487  -8.039  -0.197
   40    H    ILE   6           HN       ILE   6   4.228  -6.812  -0.218
   41    HA   ILE   6           HA       ILE   6   2.955  -4.496  -1.462
   42    HB   ILE   6           HB       ILE   6   4.942  -6.347  -2.749
   43   1HG1  ILE   6          2HG1      ILE   6   6.050  -5.760  -0.728
   44   2HG1  ILE   6          3HG1      ILE   6   6.714  -4.746  -1.994
   45   1HG2  ILE   6          1HG2      ILE   6   4.863  -3.419  -3.248
   46   2HG2  ILE   6          2HG2      ILE   6   5.141  -4.775  -4.367
   47   3HG2  ILE   6          3HG2      ILE   6   3.486  -4.379  -3.843
   48   1HD1  ILE   6          1HD1      ILE   6   6.222  -2.954  -0.698
   49   2HD1  ILE   6          2HD1      ILE   6   4.501  -3.285  -1.009
   50   3HD1  ILE   6          3HD1      ILE   6   5.291  -3.964   0.434
   51    H    TYR   7           HN       TYR   7   0.808  -5.581  -1.140
   52    HA   TYR   7           HA       TYR   7   0.407  -7.699  -3.142
   53   1HB   TYR   7          2HB       TYR   7  -0.785  -6.862  -0.462
   54   2HB   TYR   7          3HB       TYR   7  -1.837  -7.692  -1.590
   55    HD1  TYR   7           HD1      TYR   7  -1.309 -10.036  -2.301
   56    HD2  TYR   7           HD2      TYR   7   0.917  -8.040   0.759
   57    HE1  TYR   7           HE1      TYR   7  -0.394 -12.268  -1.501
   58    HE2  TYR   7           HE2      TYR   7   1.825 -10.280   1.549
   59    HH   TYR   7           HH       TYR   7   0.722 -12.865   1.275
   60    H    ASP   8           HN       ASP   8  -1.858  -7.655  -4.154
   61    HA   ASP   8           HA       ASP   8  -2.216  -5.017  -5.180
   62   1HB   ASP   8          2HB       ASP   8  -3.898  -6.131  -6.668
   63   2HB   ASP   8          3HB       ASP   8  -2.326  -6.904  -6.723
   64    H    THR   9           HN       THR   9  -2.832  -5.000  -2.447
   65    HA   THR   9           HA       THR   9  -5.714  -5.372  -2.200
   66    HB   THR   9           HB       THR   9  -4.341  -6.261  -0.390
   67    HG1  THR   9           1HG      THR   9  -6.277  -5.029   0.206
   68   1HG2  THR   9          1HG2      THR   9  -2.305  -5.248  -0.039
   69   2HG2  THR   9          2HG2      THR   9  -2.844  -3.730  -0.796
   70   3HG2  THR   9          3HG2      THR   9  -3.226  -4.058   0.912
   71    H    CYS  10           HN       CYS  10  -6.686  -3.771  -3.413
   72    HA   CYS  10           HA       CYS  10  -6.651  -1.204  -2.169
   73   1HB   CYS  10          2HB       CYS  10  -4.661  -1.182  -3.792
   74   2HB   CYS  10          3HB       CYS  10  -5.843  -1.242  -5.085
   75    H    ILE  11           HN       ILE  11  -8.846  -0.894  -2.025
   76    HA   ILE  11           HA       ILE  11 -10.498  -1.973  -4.184
   77    HB   ILE  11           HB       ILE  11 -12.245  -2.122  -2.671
   78   1HG1  ILE  11          2HG1      ILE  11 -12.118   0.170  -1.792
   79   2HG1  ILE  11          3HG1      ILE  11 -12.384  -1.011  -0.525
   80   1HG2  ILE  11          1HG2      ILE  11  -9.687  -3.166  -1.930
   81   2HG2  ILE  11          2HG2      ILE  11 -10.601  -2.775  -0.454
   82   3HG2  ILE  11          3HG2      ILE  11 -11.304  -3.862  -1.674
   83   1HD1  ILE  11          1HD1      ILE  11  -9.859   0.533  -1.169
   84   2HD1  ILE  11          2HD1      ILE  11 -10.696   0.354   0.393
   85   3HD1  ILE  11          3HD1      ILE  11  -9.764  -1.007  -0.279
   86    H    GLY  12           HN       GLY  12  -8.811   0.733  -3.745
   87   1HA   GLY  12          1HA       GLY  12  -9.057   2.687  -4.923
   88   2HA   GLY  12          2HA       GLY  12 -10.758   2.349  -5.172
   89    H    CYS  13           HN       CYS  13  -8.652   2.653  -2.217
   90    HA   CYS  13           HA       CYS  13 -10.584   4.638  -1.260
   91   1HB   CYS  13          2HB       CYS  13 -10.829   3.560   0.685
   92   2HB   CYS  13          3HB       CYS  13 -10.096   2.176  -0.101
   93    H    THR  14           HN       THR  14  -9.634   6.430  -0.031
   94    HA   THR  14           HA       THR  14  -6.885   6.947  -0.859
   95    HB   THR  14           HB       THR  14  -8.542   8.669  -1.377
   96    HG1  THR  14           1HG      THR  14  -7.113  10.141  -0.528
   97   1HG2  THR  14          1HG2      THR  14 -10.371   8.459   0.116
   98   2HG2  THR  14          2HG2      THR  14  -9.311   8.255   1.532
   99   3HG2  THR  14          3HG2      THR  14  -9.512   9.863   0.794
  100    H    GLN  15           HN       GLN  15  -6.328   5.075   0.724
  101    HA   GLN  15           HA       GLN  15  -5.493   6.424   3.130
  102   1HB   GLN  15          2HB       GLN  15  -6.660   5.167   4.631
  103   2HB   GLN  15          3HB       GLN  15  -7.753   4.884   3.291
  104   1HG   GLN  15          2HG       GLN  15  -6.232   2.863   2.685
  105   2HG   GLN  15          3HG       GLN  15  -5.501   3.080   4.264
  106   1HE2  GLN  15          1HE2      GLN  15  -6.434   0.790   4.227
  107   2HE2  GLN  15          2HE2      GLN  15  -8.008   0.578   4.920
  108    H    CYS  16           HN       CYS  16  -3.529   5.572   3.999
  109    HA   CYS  16           HA       CYS  16  -1.773   4.195   4.144
  110   1HB   CYS  16          2HB       CYS  16  -1.783   2.072   3.372
  111   2HB   CYS  16          3HB       CYS  16  -3.470   2.405   3.030
  112    H    VAL  17           HN       VAL  17  -3.015   5.779   1.278
  113    HA   VAL  17           HA       VAL  17  -0.312   6.004   0.171
  114    HB   VAL  17           HB       VAL  17  -2.926   6.815  -1.100
  115   1HG1  VAL  17          1HG1      VAL  17  -1.370   6.175  -3.161
  116   2HG1  VAL  17          2HG1      VAL  17  -1.308   7.786  -2.406
  117   3HG1  VAL  17          3HG1      VAL  17  -0.080   6.563  -1.996
  118   1HG2  VAL  17          1HG2      VAL  17  -2.958   4.660  -2.249
  119   2HG2  VAL  17          2HG2      VAL  17  -1.505   4.143  -1.361
  120   3HG2  VAL  17          3HG2      VAL  17  -3.029   4.425  -0.486
  121    H    ARG  18           HN       ARG  18  -1.941   7.439   2.543
  122    HA   ARG  18           HA       ARG  18  -1.119  10.087   1.650
  123   1HB   ARG  18          2HB       ARG  18  -3.675   9.156   2.785
  124   2HB   ARG  18          3HB       ARG  18  -2.996  10.464   3.733
  125   1HG   ARG  18          2HG       ARG  18  -4.384  11.459   2.008
  126   2HG   ARG  18          3HG       ARG  18  -2.714  11.806   1.606
  127   1HD   ARG  18          2HD       ARG  18  -3.223   9.315   0.363
  128   2HD   ARG  18          3HD       ARG  18  -4.694  10.232   0.108
  129    HE   ARG  18           HE       ARG  18  -2.203  10.683  -1.218
  130   1HH1  ARG  18          1HH1      ARG  18  -2.878  13.941  -2.272
  131   2HH1  ARG  18          2HH1      ARG  18  -1.877  12.546  -2.501
  132   1HH2  ARG  18          1HH2      ARG  18  -4.550  13.918  -0.662
  133   2HH2  ARG  18          2HH2      ARG  18  -4.797  12.506   0.310
  134    H    ALA  19           HN       ALA  19  -1.934   8.123   4.613
  135    HA   ALA  19           HA       ALA  19  -0.308   9.684   6.314
  136   1HB   ALA  19          1HB       ALA  19  -2.237   8.383   7.102
  137   2HB   ALA  19          2HB       ALA  19  -1.441   6.871   6.603
  138   3HB   ALA  19          3HB       ALA  19  -0.752   7.847   7.923
  139    H    CYS  20           HN       CYS  20   1.737   9.855   5.194
  140    HA   CYS  20           HA       CYS  20   3.552   7.865   5.986
  141   1HB   CYS  20          2HB       CYS  20   2.639   6.616   4.078
  142   2HB   CYS  20          3HB       CYS  20   2.976   7.961   3.006
  143    HA   PRO  21           HA       PRO  21   5.353  11.898   5.452
  144   1HB   PRO  21          2HB       PRO  21   7.190  11.693   7.465
  145   2HB   PRO  21          3HB       PRO  21   5.561  12.291   7.711
  146   1HG   PRO  21          2HG       PRO  21   6.703   9.664   8.447
  147   2HG   PRO  21          3HG       PRO  21   5.245  10.435   9.044
  148   1HD   PRO  21          2HD       PRO  21   5.398   8.297   7.139
  149   2HD   PRO  21          3HD       PRO  21   3.952   9.145   7.648
  150    H    LEU  22           HN       LEU  22   7.113   8.893   5.795
  151    HA   LEU  22           HA       LEU  22   9.450   9.917   4.566
  152   1HB   LEU  22          2HB       LEU  22   8.419   7.262   5.431
  153   2HB   LEU  22          3HB       LEU  22   9.720   7.283   4.257
  154    HG   LEU  22           HG       LEU  22  10.677   9.043   6.121
  155   1HD1  LEU  22          1HD1      LEU  22  10.360   7.796   8.323
  156   2HD1  LEU  22          2HD1      LEU  22   9.004   8.799   7.753
  157   3HD1  LEU  22          3HD1      LEU  22   8.947   7.031   7.558
  158   1HD2  LEU  22          1HD2      LEU  22  12.372   7.577   6.248
  159   2HD2  LEU  22          2HD2      LEU  22  11.311   6.226   6.715
  160   3HD2  LEU  22          3HD2      LEU  22  11.463   6.688   5.002
  161    H    ASP  23           HN       ASP  23   6.338   8.778   3.420
  162    HA   ASP  23           HA       ASP  23   5.481   8.611   1.437
  163   1HB   ASP  23          2HB       ASP  23   6.517  10.827   1.006
  164   2HB   ASP  23          3HB       ASP  23   8.012  10.056   0.518
  165    H    VAL  24           HN       VAL  24   5.735   6.257   1.422
  166    HA   VAL  24           HA       VAL  24   7.945   5.351  -0.291
  167    HB   VAL  24           HB       VAL  24   8.264   4.736   2.072
  168   1HG1  VAL  24          1HG1      VAL  24   6.764   3.500   3.335
  169   2HG1  VAL  24          2HG1      VAL  24   5.671   4.561   2.414
  170   3HG1  VAL  24          3HG1      VAL  24   5.909   2.872   1.906
  171   1HG2  VAL  24          1HG2      VAL  24   7.713   2.533   0.071
  172   2HG2  VAL  24          2HG2      VAL  24   9.271   3.271   0.509
  173   3HG2  VAL  24          3HG2      VAL  24   8.427   2.217   1.670
  174    H    LEU  25           HN       LEU  25   4.553   4.903   0.843
  175    HA   LEU  25           HA       LEU  25   3.916   2.911  -1.026
  176   1HB   LEU  25          2HB       LEU  25   2.154   4.900   0.412
  177   2HB   LEU  25          3HB       LEU  25   1.585   3.496  -0.468
  178    HG   LEU  25           HG       LEU  25   3.457   2.451   1.324
  179   1HD1  LEU  25          1HD1      LEU  25   3.014   4.911   2.340
  180   2HD1  LEU  25          2HD1      LEU  25   1.681   4.015   3.108
  181   3HD1  LEU  25          3HD1      LEU  25   3.362   3.475   3.333
  182   1HD2  LEU  25          1HD2      LEU  25   0.693   2.374   2.286
  183   2HD2  LEU  25          2HD2      LEU  25   0.848   1.996   0.553
  184   3HD2  LEU  25          3HD2      LEU  25   1.768   1.057   1.755
  185    H    GLU  26           HN       GLU  26   3.830   3.044  -3.197
  186    HA   GLU  26           HA       GLU  26   2.952   5.594  -4.291
  187   1HB   GLU  26          2HB       GLU  26   5.264   3.914  -5.358
  188   2HB   GLU  26          3HB       GLU  26   4.632   5.359  -6.120
  189   1HG   GLU  26          2HG       GLU  26   5.463   5.548  -3.227
  190   2HG   GLU  26          3HG       GLU  26   6.729   5.447  -4.434
  191    H    MET  27           HN       MET  27   2.997   4.887  -7.027
  192    HA   MET  27           HA       MET  27   0.872   2.926  -7.003
  193   1HB   MET  27          2HB       MET  27   0.415   3.831  -9.297
  194   2HB   MET  27          3HB       MET  27   0.497   5.127  -8.120
  195   1HG   MET  27          2HG       MET  27   2.171   6.108  -9.297
  196   2HG   MET  27          3HG       MET  27   3.177   4.690  -9.071
  197   1HE   MET  27          1HE       MET  27   2.068   6.189 -12.960
  198   2HE   MET  27          2HE       MET  27   1.371   6.894 -11.481
  199   3HE   MET  27          3HE       MET  27   3.133   6.685 -11.621
  200    H    VAL  28           HN       VAL  28   0.956   0.947  -8.089
  201    HA   VAL  28           HA       VAL  28   3.460   0.398  -9.523
  202    HB   VAL  28           HB       VAL  28   3.781  -1.574  -8.418
  203   1HG1  VAL  28          1HG1      VAL  28   2.326  -0.235  -6.146
  204   2HG1  VAL  28          2HG1      VAL  28   3.883  -1.097  -6.142
  205   3HG1  VAL  28          3HG1      VAL  28   3.765   0.524  -6.868
  206   1HG2  VAL  28          1HG2      VAL  28   0.807  -1.562  -7.953
  207   2HG2  VAL  28          2HG2      VAL  28   1.830  -2.798  -8.723
  208   3HG2  VAL  28          3HG2      VAL  28   1.866  -2.587  -6.956
  209    HA   PRO  29           HA       PRO  29   0.950  -1.305 -12.606
  210   1HB   PRO  29          2HB       PRO  29   2.235  -3.572 -13.427
  211   2HB   PRO  29          3HB       PRO  29   2.737  -1.962 -13.901
  212   1HG   PRO  29          2HG       PRO  29   3.978  -3.786 -11.933
  213   2HG   PRO  29          3HG       PRO  29   4.674  -2.386 -12.723
  214   1HD   PRO  29          2HD       PRO  29   3.715  -2.532 -10.025
  215   2HD   PRO  29          3HD       PRO  29   4.304  -1.104 -10.852
  216    H    TRP  30           HN       TRP  30  -1.098  -1.884 -12.290
  217    HA   TRP  30           HA       TRP  30  -1.425  -4.591 -11.216
  218   1HB   TRP  30          2HB       TRP  30  -1.736  -3.072  -9.352
  219   2HB   TRP  30          3HB       TRP  30  -2.881  -2.116 -10.272
  220    HD1  TRP  30           HD1      TRP  30  -5.327  -2.672  -9.575
  221    HE1  TRP  30           HE1      TRP  30  -6.728  -4.731  -8.703
  222    HE3  TRP  30           HE3      TRP  30  -1.469  -5.983  -9.618
  223    HZ2  TRP  30           HZ2      TRP  30  -6.079  -7.453  -8.141
  224    HZ3  TRP  30           HZ3      TRP  30  -1.938  -8.321  -8.892
  225    HH2  TRP  30           HH2      TRP  30  -4.148  -9.075  -8.172
  226    H    ASP  31           HN       ASP  31  -3.949  -5.151 -11.554
  227    HA   ASP  31           HA       ASP  31  -4.843  -3.920 -14.018
  228   1HB   ASP  31          2HB       ASP  31  -3.498  -6.214 -14.252
  229   2HB   ASP  31          3HB       ASP  31  -5.002  -6.928 -13.704
  230    H    GLY  32           HN       GLY  32  -6.119  -3.123 -11.873
  231   1HA   GLY  32          1HA       GLY  32  -8.624  -4.601 -11.844
  232   2HA   GLY  32          2HA       GLY  32  -7.774  -4.516 -10.314
  233    H    CYS  33           HN       CYS  33  -6.549  -1.848 -10.842
  234    HA   CYS  33           HA       CYS  33  -8.743  -0.299  -9.918
  235   1HB   CYS  33          2HB       CYS  33  -5.977  -0.167  -9.663
  236   2HB   CYS  33          3HB       CYS  33  -6.348   1.206 -10.687
  237    HG   CYS  33           HG       CYS  33  -6.925   0.583  -7.601
  238    H    LYS  34           HN       LYS  34  -8.983   2.038 -11.023
  239    HA   LYS  34           HA       LYS  34  -9.963   1.559 -13.622
  240   1HB   LYS  34          2HB       LYS  34 -10.092   3.622 -11.613
  241   2HB   LYS  34          3HB       LYS  34  -9.735   4.349 -13.167
  242   1HG   LYS  34          2HG       LYS  34 -11.664   2.582 -13.948
  243   2HG   LYS  34          3HG       LYS  34 -12.173   2.838 -12.290
  244   1HD   LYS  34          2HD       LYS  34 -13.312   4.573 -13.370
  245   2HD   LYS  34          3HD       LYS  34 -11.857   5.407 -12.859
  246   1HE   LYS  34          2HE       LYS  34 -10.850   4.818 -15.157
  247   2HE   LYS  34          3HE       LYS  34 -12.447   4.276 -15.631
  248   1HZ   LYS  34          1HZ       LYS  34 -12.700   6.399 -16.184
  249   2HZ   LYS  34          2HZ       LYS  34 -12.969   6.668 -14.596
  250   3HZ   LYS  34          3HZ       LYS  34 -11.489   6.938 -15.231
  251    H    ALA  35           HN       ALA  35  -6.851   2.546 -12.313
  252    HA   ALA  35           HA       ALA  35  -5.974   3.173 -15.049
  253   1HB   ALA  35          1HB       ALA  35  -4.984   4.120 -12.333
  254   2HB   ALA  35          2HB       ALA  35  -4.112   4.406 -13.858
  255   3HB   ALA  35          3HB       ALA  35  -5.734   5.098 -13.616
  256    H    GLY  36           HN       GLY  36  -6.365   0.501 -13.615
  257   1HA   GLY  36          1HA       GLY  36  -5.200  -1.387 -13.137
  258   2HA   GLY  36          2HA       GLY  36  -4.392  -0.989 -14.640
  259    H    GLN  37           HN       GLN  37  -4.311   0.473 -11.307
  260    HA   GLN  37           HA       GLN  37  -1.557  -0.321 -11.097
  261   1HB   GLN  37          2HB       GLN  37  -0.872   2.058 -10.493
  262   2HB   GLN  37          3HB       GLN  37  -1.204   1.781 -12.191
  263   1HG   GLN  37          2HG       GLN  37  -2.734   3.451 -12.130
  264   2HG   GLN  37          3HG       GLN  37  -3.713   2.480 -11.049
  265   1HE2  GLN  37          1HE2      GLN  37  -3.949   3.041  -8.988
  266   2HE2  GLN  37          2HE2      GLN  37  -3.156   4.362  -8.194
  267    H    ILE  38           HN       ILE  38  -1.303  -1.126  -9.060
  268    HA   ILE  38           HA       ILE  38  -3.248  -0.287  -7.054
  269    HB   ILE  38           HB       ILE  38  -2.806  -2.715  -7.724
  270   1HG1  ILE  38          2HG1      ILE  38  -2.600  -3.090  -4.971
  271   2HG1  ILE  38          3HG1      ILE  38  -3.286  -1.484  -5.119
  272   1HG2  ILE  38          1HG2      ILE  38  -0.245  -2.038  -6.313
  273   2HG2  ILE  38          2HG2      ILE  38  -0.932  -3.675  -6.179
  274   3HG2  ILE  38          3HG2      ILE  38  -0.520  -3.011  -7.779
  275   1HD1  ILE  38          1HD1      ILE  38  -5.007  -2.409  -6.722
  276   2HD1  ILE  38          2HD1      ILE  38  -4.354  -4.035  -6.409
  277   3HD1  ILE  38          3HD1      ILE  38  -5.107  -3.108  -5.088
  278    H    ALA  39           HN       ALA  39  -2.653   0.622  -5.066
  279    HA   ALA  39           HA       ALA  39  -0.121   1.987  -5.132
  280   1HB   ALA  39          1HB       ALA  39  -1.285   3.485  -3.931
  281   2HB   ALA  39          2HB       ALA  39  -2.705   2.418  -4.047
  282   3HB   ALA  39          3HB       ALA  39  -1.598   2.279  -2.660
  283    H    SER  40           HN       SER  40   1.664   0.774  -4.659
  284    HA   SER  40           HA       SER  40   1.531  -0.676  -2.145
  285   1HB   SER  40          2HB       SER  40   2.302  -1.738  -4.850
  286   2HB   SER  40          3HB       SER  40   3.232  -2.296  -3.475
  287    HG   SER  40           HG       SER  40   0.488  -2.731  -4.108
  288    H    SER  41           HN       SER  41   4.159  -1.558  -1.956
  289    HA   SER  41           HA       SER  41   5.617   0.955  -2.209
  290   1HB   SER  41          2HB       SER  41   5.518  -1.147  -0.057
  291   2HB   SER  41          3HB       SER  41   7.039  -0.312  -0.306
  292    HG   SER  41           HG       SER  41   5.241   1.634  -0.313
  293    HA   PRO  42           HA       PRO  42   7.857  -1.850  -4.885
  294   1HB   PRO  42          2HB       PRO  42   8.663   0.024  -6.704
  295   2HB   PRO  42          3HB       PRO  42   7.169  -0.881  -6.857
  296   1HG   PRO  42          2HG       PRO  42   7.555   1.936  -6.047
  297   2HG   PRO  42          3HG       PRO  42   6.096   1.146  -6.610
  298   1HD   PRO  42          2HD       PRO  42   6.737   1.836  -3.901
  299   2HD   PRO  42          3HD       PRO  42   5.332   0.943  -4.451
  300    H    ARG  43           HN       ARG  43   9.153   1.412  -4.426
  301    HA   ARG  43           HA       ARG  43  11.708   0.161  -3.986
  302   1HB   ARG  43          2HB       ARG  43  11.038   3.144  -4.043
  303   2HB   ARG  43          3HB       ARG  43  12.632   2.430  -4.187
  304   1HG   ARG  43          2HG       ARG  43  10.419   1.760  -6.167
  305   2HG   ARG  43          3HG       ARG  43  11.428   3.179  -6.376
  306   1HD   ARG  43          2HD       ARG  43  12.858   1.777  -7.482
  307   2HD   ARG  43          3HD       ARG  43  13.340   1.233  -5.888
  308    HE   ARG  43           HE       ARG  43  12.285  -0.803  -6.314
  309   1HH1  ARG  43          1HH1      ARG  43   9.962  -1.738  -8.745
  310   2HH1  ARG  43          2HH1      ARG  43  10.981  -2.291  -7.458
  311   1HH2  ARG  43          1HH2      ARG  43   9.923   0.514  -9.309
  312   2HH2  ARG  43          2HH2      ARG  43  10.912   1.641  -8.442
  313    H    THR  44           HN       THR  44  11.140  -0.785  -1.861
  314    HA   THR  44           HA       THR  44  10.496   1.084   0.264
  315    HB   THR  44           HB       THR  44  10.996  -1.937   0.307
  316    HG1  THR  44           1HG      THR  44   8.519  -1.738   0.249
  317   1HG2  THR  44          1HG2      THR  44   9.659   0.059   2.188
  318   2HG2  THR  44          2HG2      THR  44   9.227  -1.668   2.203
  319   3HG2  THR  44          3HG2      THR  44  10.892  -1.163   2.584
  320    H    GLU  45           HN       GLU  45  13.039   1.458  -1.163
  321    HA   GLU  45           HA       GLU  45  15.132   0.358   0.249
  322   1HB   GLU  45          2HB       GLU  45  16.498   2.097  -0.768
  323   2HB   GLU  45          3HB       GLU  45  15.305   1.569  -1.938
  324   1HG   GLU  45          2HG       GLU  45  13.932   3.526  -1.577
  325   2HG   GLU  45          3HG       GLU  45  14.814   3.970  -0.130
  326    H    ASP  46           HN       ASP  46  12.731   2.608   1.259
  327    HA   ASP  46           HA       ASP  46  14.443   3.349   3.501
  328   1HB   ASP  46          2HB       ASP  46  13.374   5.112   1.680
  329   2HB   ASP  46          3HB       ASP  46  12.075   5.063   2.855
  330    H    CYS  47           HN       CYS  47  12.012   4.706   4.750
  331    HA   CYS  47           HA       CYS  47  10.251   4.254   5.985
  332   1HB   CYS  47          2HB       CYS  47   9.031   3.384   4.141
  333   2HB   CYS  47          3HB       CYS  47   9.952   1.893   4.118
  334    H    VAL  48           HN       VAL  48  10.003   3.293   8.062
  335    HA   VAL  48           HA       VAL  48  11.382   0.826   8.625
  336    HB   VAL  48           HB       VAL  48  12.712   1.842  10.453
  337   1HG1  VAL  48          1HG1      VAL  48  13.375   2.921   7.691
  338   2HG1  VAL  48          2HG1      VAL  48  14.516   2.665   9.033
  339   3HG1  VAL  48          3HG1      VAL  48  13.717   1.271   8.267
  340   1HG2  VAL  48          1HG2      VAL  48  11.333   4.266   9.530
  341   2HG2  VAL  48          2HG2      VAL  48  12.118   3.913  11.088
  342   3HG2  VAL  48          3HG2      VAL  48  13.092   4.470   9.707
  343    H    GLY  49           HN       GLY  49   8.627   1.520   8.525
  344   1HA   GLY  49          1HA       GLY  49   6.744   1.464   9.752
  345   2HA   GLY  49          2HA       GLY  49   7.675   0.535  10.909
  346    H    CYS  50           HN       CYS  50   6.671   3.841   9.945
  347    HA   CYS  50           HA       CYS  50   7.675   4.867  12.470
  348   1HB   CYS  50          2HB       CYS  50   7.333   7.054  11.580
  349   2HB   CYS  50          3HB       CYS  50   8.101   6.102  10.326
  350    H    LYS  51           HN       LYS  51   5.363   2.903  12.132
  351    HA   LYS  51           HA       LYS  51   3.198   2.672  12.640
  352   1HB   LYS  51          2HB       LYS  51   4.735   3.416  14.833
  353   2HB   LYS  51          3HB       LYS  51   3.315   4.431  14.977
  354   1HG   LYS  51          2HG       LYS  51   1.902   2.648  15.358
  355   2HG   LYS  51          3HG       LYS  51   2.745   1.598  14.237
  356   1HD   LYS  51          2HD       LYS  51   4.495   2.212  16.481
  357   2HD   LYS  51          3HD       LYS  51   2.956   1.637  17.089
  358   1HE   LYS  51          2HE       LYS  51   3.200  -0.271  15.298
  359   2HE   LYS  51          3HE       LYS  51   4.881   0.215  15.214
  360   1HZ   LYS  51          1HZ       LYS  51   4.094  -0.008  17.889
  361   2HZ   LYS  51          2HZ       LYS  51   3.715  -1.389  17.104
  362   3HZ   LYS  51          3HZ       LYS  51   5.252  -0.840  17.093
  363    H    ARG  52           HN       ARG  52   2.568   3.893  10.646
  364    HA   ARG  52           HA       ARG  52   0.939   6.115  11.485
  365   1HB   ARG  52          2HB       ARG  52   3.301   6.766  10.353
  366   2HB   ARG  52          3HB       ARG  52   2.428   6.429   8.872
  367   1HG   ARG  52          2HG       ARG  52   1.758   8.614   9.045
  368   2HG   ARG  52          3HG       ARG  52   0.568   7.975  10.161
  369   1HD   ARG  52          2HD       ARG  52   3.051   8.378  11.604
  370   2HD   ARG  52          3HD       ARG  52   2.683   9.843  10.715
  371    HE   ARG  52           HE       ARG  52   1.254   8.840  13.017
  372   1HH1  ARG  52          1HH1      ARG  52  -1.456  11.012  12.674
  373   2HH1  ARG  52          2HH1      ARG  52  -0.624   9.925  13.736
  374   1HH2  ARG  52          1HH2      ARG  52  -0.663  11.365  10.521
  375   2HH2  ARG  52          2HH2      ARG  52   0.760  10.543   9.976
  376    H    CYS  53           HN       CYS  53   2.006   3.886   8.839
  377    HA   CYS  53           HA       CYS  53  -0.528   4.150   7.510
  378   1HB   CYS  53          2HB       CYS  53   0.459   2.414   5.960
  379   2HB   CYS  53          3HB       CYS  53   1.329   3.931   6.052
  380    H    GLU  54           HN       GLU  54  -1.149   3.405  10.040
  381    HA   GLU  54           HA       GLU  54  -1.116   0.549  10.244
  382   1HB   GLU  54          2HB       GLU  54  -0.888   2.280  12.176
  383   2HB   GLU  54          3HB       GLU  54  -2.627   2.464  12.057
  384   1HG   GLU  54          2HG       GLU  54  -2.810  -0.086  12.302
  385   2HG   GLU  54          3HG       GLU  54  -1.095  -0.105  12.663
  386    H    THR  55           HN       THR  55  -2.342   0.558   8.020
  387    HA   THR  55           HA       THR  55  -5.121   0.062   8.639
  388    HB   THR  55           HB       THR  55  -5.057   2.516   8.110
  389    HG1  THR  55           1HG      THR  55  -6.892   2.072   6.932
  390   1HG2  THR  55          1HG2      THR  55  -4.257   1.660   5.293
  391   2HG2  THR  55          2HG2      THR  55  -4.395   3.313   5.940
  392   3HG2  THR  55          3HG2      THR  55  -3.051   2.265   6.453
  393    H    ALA  56           HN       ALA  56  -2.695   0.414   5.966
  394    HA   ALA  56           HA       ALA  56  -2.095  -0.999   4.372
  395   1HB   ALA  56          1HB       ALA  56  -2.960  -2.729   6.564
  396   2HB   ALA  56          2HB       ALA  56  -3.210  -3.497   4.976
  397   3HB   ALA  56          3HB       ALA  56  -1.593  -2.917   5.440
  398    H    CYS  57           HN       CYS  57  -5.237  -2.579   5.238
  399    HA   CYS  57           HA       CYS  57  -6.713  -1.237   3.281
  400   1HB   CYS  57          2HB       CYS  57  -5.027  -2.967   2.027
  401   2HB   CYS  57          3HB       CYS  57  -6.396  -4.024   2.309
  402    HA   PRO  58           HA       PRO  58  -9.605  -3.267   5.841
  403   1HB   PRO  58          2HB       PRO  58 -11.931  -2.602   4.571
  404   2HB   PRO  58          3HB       PRO  58 -11.094  -1.519   5.666
  405   1HG   PRO  58          2HG       PRO  58 -11.225  -1.431   2.714
  406   2HG   PRO  58          3HG       PRO  58 -10.771  -0.160   3.831
  407   1HD   PRO  58          2HD       PRO  58  -9.002  -1.741   2.219
  408   2HD   PRO  58          3HD       PRO  58  -8.543  -0.549   3.421
  409    H    THR  59           HN       THR  59  -8.854  -5.403   5.566
  410    HA   THR  59           HA       THR  59  -8.964  -7.490   4.768
  411    HB   THR  59           HB       THR  59 -11.261  -8.395   4.802
  412    HG1  THR  59           1HG      THR  59 -12.992  -6.846   4.566
  413   1HG2  THR  59          1HG2      THR  59 -12.254  -6.982   6.784
  414   2HG2  THR  59          2HG2      THR  59 -10.714  -7.830   7.060
  415   3HG2  THR  59          3HG2      THR  59 -10.718  -6.084   6.711
  416    H    ASP  60           HN       ASP  60 -10.681  -8.768   2.894
  417    HA   ASP  60           HA       ASP  60 -11.175  -8.880   0.737
  418   1HB   ASP  60          2HB       ASP  60 -10.934  -6.186   0.842
  419   2HB   ASP  60          3HB       ASP  60  -9.476  -6.525  -0.070
  420    H    PHE  61           HN       PHE  61  -7.926  -7.728   1.787
  421    HA   PHE  61           HA       PHE  61  -6.740  -9.961   0.355
  422   1HB   PHE  61          2HB       PHE  61  -6.122  -6.970   0.085
  423   2HB   PHE  61          3HB       PHE  61  -4.903  -8.168  -0.304
  424    HD1  PHE  61           1HD      PHE  61  -5.349  -9.804  -2.162
  425    HD2  PHE  61           2HD      PHE  61  -7.856  -6.457  -1.442
  426    HE1  PHE  61           1HE      PHE  61  -6.292 -10.011  -4.478
  427    HE2  PHE  61           2HE      PHE  61  -8.799  -6.664  -3.760
  428    HZ   PHE  61           HZ       PHE  61  -8.005  -8.439  -5.250
  429    H    LEU  62           HN       LEU  62  -4.815  -7.230   1.491
  430    HA   LEU  62           HA       LEU  62  -3.479  -6.947   3.228
  431   1HB   LEU  62          2HB       LEU  62  -5.757  -8.337   4.366
  432   2HB   LEU  62          3HB       LEU  62  -4.279  -8.720   5.226
  433    HG   LEU  62           HG       LEU  62  -5.420  -5.955   4.747
  434   1HD1  LEU  62          1HD1      LEU  62  -6.370  -6.054   6.767
  435   2HD1  LEU  62          2HD1      LEU  62  -6.167  -7.816   6.625
  436   3HD1  LEU  62          3HD1      LEU  62  -4.957  -6.848   7.500
  437   1HD2  LEU  62          1HD2      LEU  62  -3.531  -5.373   6.452
  438   2HD2  LEU  62          2HD2      LEU  62  -2.767  -6.853   5.825
  439   3HD2  LEU  62          3HD2      LEU  62  -3.156  -5.515   4.718
  440    H    SER  63           HN       SER  63  -4.332 -10.485   3.250
  441    HA   SER  63           HA       SER  63  -3.110 -12.251   2.903
  442   1HB   SER  63          2HB       SER  63  -1.939 -10.463   1.165
  443   2HB   SER  63          3HB       SER  63  -0.561 -10.906   2.152
  444    HG   SER  63           HG       SER  63  -1.824 -12.360   0.191
  445    H    ILE  64           HN       ILE  64  -1.767 -13.579   4.227
  446    HA   ILE  64           HA       ILE  64  -0.963 -12.351   6.674
  447    HB   ILE  64           HB       ILE  64  -2.055 -14.550   6.529
  448   1HG1  ILE  64          2HG1      ILE  64   0.572 -15.216   7.732
  449   2HG1  ILE  64          3HG1      ILE  64  -0.151 -13.716   8.280
  450   1HG2  ILE  64          1HG2      ILE  64   0.548 -15.432   5.253
  451   2HG2  ILE  64          2HG2      ILE  64  -0.726 -16.522   5.850
  452   3HG2  ILE  64          3HG2      ILE  64  -1.064 -15.413   4.499
  453   1HD1  ILE  64          1HD1      ILE  64  -2.078 -15.967   8.096
  454   2HD1  ILE  64          2HD1      ILE  64  -0.773 -16.211   9.281
  455   3HD1  ILE  64          3HD1      ILE  64  -1.830 -14.785   9.404
  456    H    ARG  65           HN       ARG  65   0.994 -11.525   7.193
  457    HA   ARG  65           HA       ARG  65   3.289 -12.586   5.834
  458   1HB   ARG  65          2HB       ARG  65   2.359  -9.698   5.613
  459   2HB   ARG  65          3HB       ARG  65   4.063 -10.083   5.487
  460   1HG   ARG  65          2HG       ARG  65   1.971 -11.509   3.791
  461   2HG   ARG  65          3HG       ARG  65   2.694  -9.996   3.282
  462   1HD   ARG  65          2HD       ARG  65   4.985 -11.284   3.837
  463   2HD   ARG  65          3HD       ARG  65   3.991 -12.707   3.599
  464    HE   ARG  65           HE       ARG  65   3.712 -10.698   1.473
  465   1HH1  ARG  65          1HH1      ARG  65   5.421 -12.677  -0.837
  466   2HH1  ARG  65          2HH1      ARG  65   4.427 -11.277  -0.618
  467   1HH2  ARG  65          1HH2      ARG  65   6.029 -13.966   0.995
  468   2HH2  ARG  65          2HH2      ARG  65   5.488 -13.527   2.580
  469    H    VAL  66           HN       VAL  66   1.881 -10.221   8.177
  470    HA   VAL  66           HA       VAL  66   2.468  -9.639  10.226
  471    HB   VAL  66           HB       VAL  66   4.118 -12.161  10.022
  472   1HG1  VAL  66          1HG1      VAL  66   3.506 -10.666  12.584
  473   2HG1  VAL  66          2HG1      VAL  66   4.591 -12.056  12.347
  474   3HG1  VAL  66          3HG1      VAL  66   5.028 -10.462  11.686
  475   1HG2  VAL  66          1HG2      VAL  66   2.235 -13.242  10.535
  476   2HG2  VAL  66          2HG2      VAL  66   1.952 -12.186  11.940
  477   3HG2  VAL  66          3HG2      VAL  66   1.353 -11.710  10.334
  478    H    TYR  67           HN       TYR  67   3.373  -7.646   9.592
  479    HA   TYR  67           HA       TYR  67   6.306  -7.648   9.643
  480   1HB   TYR  67          2HB       TYR  67   4.263  -6.529   7.681
  481   2HB   TYR  67          3HB       TYR  67   5.702  -5.570   7.965
  482    HD1  TYR  67           HD1      TYR  67   4.808  -9.145   7.219
  483    HD2  TYR  67           HD2      TYR  67   7.486  -5.883   6.519
  484    HE1  TYR  67           HE1      TYR  67   6.085 -10.547   5.526
  485    HE2  TYR  67           HE2      TYR  67   8.754  -7.296   4.828
  486    HH   TYR  67           HH       TYR  67   9.035  -9.309   4.020
  487    H    LEU  68           HN       LEU  68   3.412  -5.440   9.555
  488    HA   LEU  68           HA       LEU  68   4.457  -3.280  10.764
  489   1HB   LEU  68          2HB       LEU  68   1.741  -4.550  10.943
  490   2HB   LEU  68          3HB       LEU  68   2.097  -3.070  11.810
  491    HG   LEU  68           HG       LEU  68   2.436  -3.393   8.818
  492   1HD1  LEU  68          1HD1      LEU  68   0.081  -2.454  10.449
  493   2HD1  LEU  68          2HD1      LEU  68   0.345  -1.905   8.775
  494   3HD1  LEU  68          3HD1      LEU  68   0.131  -3.639   9.121
  495   1HD2  LEU  68          1HD2      LEU  68   3.181  -1.280   8.727
  496   2HD2  LEU  68          2HD2      LEU  68   2.051  -0.716   9.981
  497   3HD2  LEU  68          3HD2      LEU  68   3.568  -1.520  10.448
  498    H    GLY  69           HN       GLY  69   5.847  -3.205  12.452
  499   1HA   GLY  69          1HA       GLY  69   6.834  -3.806  14.409
  500   2HA   GLY  69          2HA       GLY  69   5.242  -3.433  15.040
  501    H    ALA  70           HN       ALA  70   7.206  -6.106  13.594
  502    HA   ALA  70           HA       ALA  70   6.079  -7.916  15.538
  503   1HB   ALA  70          1HB       ALA  70   4.522  -8.761  14.150
  504   2HB   ALA  70          2HB       ALA  70   5.123  -7.788  12.787
  505   3HB   ALA  70          3HB       ALA  70   5.856  -9.371  13.142
  506    H    GLU  71           HN       GLU  71   7.965  -7.747  12.430
  507    HA   GLU  71           HA       GLU  71   9.717  -9.771  13.287
  508   1HB   GLU  71          2HB       GLU  71  11.049  -9.064  11.255
  509   2HB   GLU  71          3HB       GLU  71   9.374  -9.453  10.921
  510   1HG   GLU  71          2HG       GLU  71   8.939  -7.345  10.188
  511   2HG   GLU  71          3HG       GLU  71   9.631  -6.627  11.630
  512    H    THR  72           HN       THR  72  11.379  -9.608  14.726
  513    HA   THR  72           HA       THR  72  13.115  -7.348  14.713
  514    HB   THR  72           HB       THR  72  11.085  -6.478  15.980
  515    HG1  THR  72           1HG      THR  72  13.357  -5.838  16.412
  516   1HG2  THR  72          1HG2      THR  72  11.681  -8.961  17.560
  517   2HG2  THR  72          2HG2      THR  72  11.379  -7.484  18.507
  518   3HG2  THR  72          3HG2      THR  72  10.144  -8.083  17.374
  519    H    THR  73           HN       THR  73  13.109 -10.309  14.372
  520    HA   THR  73           HA       THR  73  14.626 -11.122  16.738
  521    HB   THR  73           HB       THR  73  12.731 -12.538  15.800
  522    HG1  THR  73           1HG      THR  73  15.520 -13.433  15.613
  523   1HG2  THR  73          1HG2      THR  73  13.815 -13.981  13.780
  524   2HG2  THR  73          2HG2      THR  73  12.778 -12.570  13.460
  525   3HG2  THR  73          3HG2      THR  73  14.550 -12.405  13.397
  526    H    ARG  74           HN       ARG  74  14.989 -10.169  13.361
  527    HA   ARG  74           HA       ARG  74  17.632 -11.245  13.263
  528   1HB   ARG  74          2HB       ARG  74  16.212  -9.362  11.313
  529   2HB   ARG  74          3HB       ARG  74  17.686 -10.250  10.982
  530   1HG   ARG  74          2HG       ARG  74  16.371 -11.923  10.186
  531   2HG   ARG  74          3HG       ARG  74  15.930 -12.255  11.849
  532   1HD   ARG  74          2HD       ARG  74  13.832 -11.347  11.613
  533   2HD   ARG  74          3HD       ARG  74  14.414  -9.993  10.664
  534    HE   ARG  74           HE       ARG  74  13.311 -12.452   9.627
  535   1HH1  ARG  74          1HH1      ARG  74  14.313 -11.886   6.332
  536   2HH1  ARG  74          2HH1      ARG  74  13.280 -12.810   7.370
  537   1HH2  ARG  74          1HH2      ARG  74  15.731 -10.284   7.234
  538   2HH2  ARG  74          2HH2      ARG  74  15.754 -10.013   8.945
  539    H    SER  75           HN       SER  75  16.046  -8.351  14.340
  540    HA   SER  75           HA       SER  75  18.521  -6.847  14.086
  541   1HB   SER  75          2HB       SER  75  16.086  -6.023  13.359
  542   2HB   SER  75          3HB       SER  75  15.941  -5.625  15.060
  543    HG   SER  75           HG       SER  75  17.060  -4.119  13.215
  544    H    MET  76           HN       MET  76  16.995  -8.919  16.199
  545    HA   MET  76           HA       MET  76  16.723  -7.818  18.584
  546   1HB   MET  76          2HB       MET  76  17.558 -10.422  17.514
  547   2HB   MET  76          3HB       MET  76  18.354 -10.132  19.049
  548   1HG   MET  76          2HG       MET  76  15.361  -9.672  18.731
  549   2HG   MET  76          3HG       MET  76  15.994 -11.269  19.072
  550   1HE   MET  76          1HE       MET  76  16.521 -11.859  22.049
  551   2HE   MET  76          2HE       MET  76  15.012 -11.003  22.450
  552   3HE   MET  76          3HE       MET  76  15.169 -11.848  20.891
  553    H    GLY  77           HN       GLY  77  19.859  -8.465  16.948
  554   1HA   GLY  77          1HA       GLY  77  21.551  -6.735  17.444
  555   2HA   GLY  77          2HA       GLY  77  21.205  -7.001  19.141
  556    H    LEU  78           HN       LEU  78  21.366  -9.524  16.569
  557    HA   LEU  78           HA       LEU  78  23.639 -10.668  18.035
  558   1HB   LEU  78          2HB       LEU  78  21.862 -12.252  16.222
  559   2HB   LEU  78          3HB       LEU  78  22.866 -12.793  17.552
  560    HG   LEU  78           HG       LEU  78  20.192 -11.397  17.684
  561   1HD1  LEU  78          1HD1      LEU  78  21.230 -14.132  18.292
  562   2HD1  LEU  78          2HD1      LEU  78  19.899 -13.485  19.281
  563   3HD1  LEU  78          3HD1      LEU  78  19.710 -13.624  17.517
  564   1HD2  LEU  78          1HD2      LEU  78  22.165 -10.691  19.380
  565   2HD2  LEU  78          2HD2      LEU  78  20.446 -10.760  19.834
  566   3HD2  LEU  78          3HD2      LEU  78  21.527 -12.118  20.230
  567    H    ALA  79           HN       ALA  79  22.192 -10.748  14.696
  568    HA   ALA  79           HA       ALA  79  24.895 -10.858  13.633
  569   1HB   ALA  79          1HB       ALA  79  22.968 -12.377  12.906
  570   2HB   ALA  79          2HB       ALA  79  22.261 -10.941  12.125
  571   3HB   ALA  79          3HB       ALA  79  23.849 -11.549  11.601
  572    H    TYR  80           HN       TYR  80  22.014  -8.734  13.818
  573    HA   TYR  80           HA       TYR  80  22.376  -6.883  11.960
  574   1HB   TYR  80          2HB       TYR  80  21.241  -5.464  13.538
  575   2HB   TYR  80          3HB       TYR  80  20.906  -7.062  14.176
  576    HD1  TYR  80           HD1      TYR  80  21.123  -4.172  15.522
  577    HD2  TYR  80           HD2      TYR  80  23.646  -7.625  15.390
  578    HE1  TYR  80           HE1      TYR  80  22.162  -3.507  17.744
  579    HE2  TYR  80           HE2      TYR  80  24.677  -6.947  17.613
  580    HH   TYR  80           HH       TYR  80  23.302  -4.498  19.564
  Start of MODEL   17
    1    H    SER   1           HN       SER   1   9.834  -6.603   5.461
    2    HA   SER   1           HA       SER   1  10.776  -4.342   5.558
    3   1HB   SER   1          2HB       SER   1  10.249  -4.543   2.755
    4   2HB   SER   1          3HB       SER   1   9.194  -3.284   3.366
    5    HG   SER   1           HG       SER   1  10.881  -1.989   3.551
    6    H    HIS   2           HN       HIS   2   9.217  -5.115   7.318
    7    HA   HIS   2           HA       HIS   2   7.362  -4.953   8.487
    8   1HB   HIS   2          2HB       HIS   2   7.012  -2.373   6.934
    9   2HB   HIS   2          3HB       HIS   2   6.186  -2.784   8.425
   10    HD1  HIS   2           HD1      HIS   2   7.974  -0.272   8.288
   11    HD2  HIS   2           HD2      HIS   2   9.314  -4.033   9.577
   12    HE1  HIS   2           HE1      HIS   2  10.017   0.160   9.755
   13    H    SER   3           HN       SER   3   4.798  -4.547   8.320
   14    HA   SER   3           HA       SER   3   3.892  -6.479   6.579
   15   1HB   SER   3          2HB       SER   3   2.862  -5.316   8.764
   16   2HB   SER   3          3HB       SER   3   2.019  -4.341   7.578
   17    HG   SER   3           HG       SER   3   1.596  -6.675   6.598
   18    H    VAL   4           HN       VAL   4   1.397  -4.970   5.685
   19    HA   VAL   4           HA       VAL   4   0.745  -4.259   3.666
   20    HB   VAL   4           HB       VAL   4   0.864  -2.239   4.973
   21   1HG1  VAL   4          1HG1      VAL   4   3.086  -2.145   5.766
   22   2HG1  VAL   4          2HG1      VAL   4   3.767  -2.192   4.123
   23   3HG1  VAL   4          3HG1      VAL   4   2.918  -0.735   4.692
   24   1HG2  VAL   4          1HG2      VAL   4   0.417  -0.899   3.218
   25   2HG2  VAL   4          2HG2      VAL   4   2.029  -1.134   2.500
   26   3HG2  VAL   4          3HG2      VAL   4   0.751  -2.345   2.235
   27    H    LYS   5           HN       LYS   5   2.389  -6.240   3.066
   28    HA   LYS   5           HA       LYS   5   4.708  -5.458   1.646
   29   1HB   LYS   5          2HB       LYS   5   3.187  -7.964   2.147
   30   2HB   LYS   5          3HB       LYS   5   4.174  -7.932   0.699
   31   1HG   LYS   5          2HG       LYS   5   5.946  -6.838   2.468
   32   2HG   LYS   5          3HG       LYS   5   5.012  -7.825   3.575
   33   1HD   LYS   5          2HD       LYS   5   5.373  -9.612   1.515
   34   2HD   LYS   5          3HD       LYS   5   6.839  -8.663   1.364
   35   1HE   LYS   5          2HE       LYS   5   7.205  -9.008   3.882
   36   2HE   LYS   5          3HE       LYS   5   5.869 -10.142   3.851
   37   1HZ   LYS   5          1HZ       LYS   5   7.717 -10.669   1.784
   38   2HZ   LYS   5          2HZ       LYS   5   8.452 -10.690   3.243
   39   3HZ   LYS   5          3HZ       LYS   5   7.171 -11.663   2.959
   40    H    ILE   6           HN       ILE   6   4.743  -6.536  -0.814
   41    HA   ILE   6           HA       ILE   6   3.164  -4.688  -2.284
   42    HB   ILE   6           HB       ILE   6   5.138  -6.842  -2.977
   43   1HG1  ILE   6          2HG1      ILE   6   6.014  -4.499  -4.067
   44   2HG1  ILE   6          3HG1      ILE   6   5.148  -3.899  -2.665
   45   1HG2  ILE   6          1HG2      ILE   6   3.340  -6.820  -4.701
   46   2HG2  ILE   6          2HG2      ILE   6   3.695  -5.101  -4.992
   47   3HG2  ILE   6          3HG2      ILE   6   4.938  -6.334  -5.314
   48   1HD1  ILE   6          1HD1      ILE   6   7.465  -4.344  -2.029
   49   2HD1  ILE   6          2HD1      ILE   6   6.418  -5.538  -1.224
   50   3HD1  ILE   6          3HD1      ILE   6   7.359  -6.004  -2.662
   51    H    TYR   7           HN       TYR   7   0.981  -4.984  -2.331
   52    HA   TYR   7           HA       TYR   7   0.077  -7.557  -3.393
   53   1HB   TYR   7          2HB       TYR   7  -0.903  -5.958  -0.950
   54   2HB   TYR   7          3HB       TYR   7  -1.859  -7.241  -1.666
   55    HD1  TYR   7           HD1      TYR   7  -0.093  -9.429  -2.151
   56    HD2  TYR   7           HD2      TYR   7   0.005  -6.619   1.074
   57    HE1  TYR   7           HE1      TYR   7   1.112 -11.130  -0.695
   58    HE2  TYR   7           HE2      TYR   7   1.210  -8.329   2.518
   59    HH   TYR   7           HH       TYR   7   2.785 -10.401   1.917
   60    H    ASP   8           HN       ASP   8  -1.945  -7.444  -4.551
   61    HA   ASP   8           HA       ASP   8  -2.360  -4.797  -5.597
   62   1HB   ASP   8          2HB       ASP   8  -3.904  -6.067  -7.202
   63   2HB   ASP   8          3HB       ASP   8  -2.206  -6.493  -7.277
   64    H    THR   9           HN       THR   9  -3.215  -5.260  -2.852
   65    HA   THR   9           HA       THR   9  -6.092  -5.691  -2.993
   66    HB   THR   9           HB       THR   9  -4.952  -6.806  -1.172
   67    HG1  THR   9           1HG      THR   9  -6.922  -5.448  -0.710
   68   1HG2  THR   9          1HG2      THR   9  -3.719  -5.322   0.554
   69   2HG2  THR   9          2HG2      THR   9  -2.842  -5.633  -0.964
   70   3HG2  THR   9          3HG2      THR   9  -3.662  -4.073  -0.714
   71    H    CYS  10           HN       CYS  10  -6.938  -3.940  -4.110
   72    HA   CYS  10           HA       CYS  10  -7.101  -1.563  -2.512
   73   1HB   CYS  10          2HB       CYS  10  -5.008  -1.371  -4.059
   74   2HB   CYS  10          3HB       CYS  10  -6.172  -1.146  -5.351
   75    H    ILE  11           HN       ILE  11  -9.160  -0.675  -2.789
   76    HA   ILE  11           HA       ILE  11 -10.749  -1.864  -4.952
   77    HB   ILE  11           HB       ILE  11 -12.601  -1.844  -3.584
   78   1HG1  ILE  11          2HG1      ILE  11 -12.242   0.569  -2.875
   79   2HG1  ILE  11          3HG1      ILE  11 -13.007  -0.489  -1.707
   80   1HG2  ILE  11          1HG2      ILE  11 -10.166  -2.473  -1.910
   81   2HG2  ILE  11          2HG2      ILE  11 -11.828  -2.783  -1.353
   82   3HG2  ILE  11          3HG2      ILE  11 -11.215  -3.590  -2.816
   83   1HD1  ILE  11          1HD1      ILE  11 -10.584  -0.898  -0.794
   84   2HD1  ILE  11          2HD1      ILE  11 -10.164   0.566  -1.717
   85   3HD1  ILE  11          3HD1      ILE  11 -11.382   0.650  -0.421
   86    H    GLY  12           HN       GLY  12  -9.214   0.988  -3.800
   87   1HA   GLY  12          1HA       GLY  12  -9.186   2.770  -5.486
   88   2HA   GLY  12          2HA       GLY  12 -10.931   2.632  -5.566
   89    H    CYS  13           HN       CYS  13  -8.982   2.379  -2.555
   90    HA   CYS  13           HA       CYS  13 -10.321   4.825  -1.661
   91   1HB   CYS  13          2HB       CYS  13 -10.941   3.715   0.166
   92   2HB   CYS  13          3HB       CYS  13 -10.235   2.250  -0.488
   93    H    THR  14           HN       THR  14  -8.907   5.972   0.144
   94    HA   THR  14           HA       THR  14  -6.054   5.721  -0.492
   95    HB   THR  14           HB       THR  14  -5.882   8.080  -0.946
   96    HG1  THR  14           1HG      THR  14  -8.602   7.974   0.141
   97   1HG2  THR  14          1HG2      THR  14  -7.373   6.604  -2.657
   98   2HG2  THR  14          2HG2      THR  14  -8.648   7.712  -2.095
   99   3HG2  THR  14          3HG2      THR  14  -7.183   8.360  -2.871
  100    H    GLN  15           HN       GLN  15  -6.059   4.512   1.541
  101    HA   GLN  15           HA       GLN  15  -6.193   6.384   3.776
  102   1HB   GLN  15          2HB       GLN  15  -6.848   4.513   5.229
  103   2HB   GLN  15          3HB       GLN  15  -7.987   4.679   3.909
  104   1HG   GLN  15          2HG       GLN  15  -6.669   2.887   2.652
  105   2HG   GLN  15          3HG       GLN  15  -5.715   2.649   4.103
  106   1HE2  GLN  15          1HE2      GLN  15  -6.528   0.468   3.960
  107   2HE2  GLN  15          2HE2      GLN  15  -8.064   0.056   4.645
  108    H    CYS  16           HN       CYS  16  -4.660   3.366   2.477
  109    HA   CYS  16           HA       CYS  16  -2.476   3.642   4.322
  110   1HB   CYS  16          2HB       CYS  16  -1.780   1.539   3.620
  111   2HB   CYS  16          3HB       CYS  16  -3.521   1.436   3.445
  112    H    VAL  17           HN       VAL  17  -3.309   5.619   1.994
  113    HA   VAL  17           HA       VAL  17  -0.626   5.737   0.799
  114    HB   VAL  17           HB       VAL  17  -3.105   6.824  -0.505
  115   1HG1  VAL  17          1HG1      VAL  17  -0.650   7.346  -1.194
  116   2HG1  VAL  17          2HG1      VAL  17  -0.665   5.700  -1.870
  117   3HG1  VAL  17          3HG1      VAL  17  -1.830   6.913  -2.454
  118   1HG2  VAL  17          1HG2      VAL  17  -2.171   3.966  -0.412
  119   2HG2  VAL  17          2HG2      VAL  17  -3.823   4.625  -0.336
  120   3HG2  VAL  17          3HG2      VAL  17  -2.944   4.603  -1.884
  121    H    ARG  18           HN       ARG  18  -2.109   6.901   3.318
  122    HA   ARG  18           HA       ARG  18  -1.505   9.670   2.647
  123   1HB   ARG  18          2HB       ARG  18  -3.770   8.428   4.069
  124   2HB   ARG  18          3HB       ARG  18  -3.010   9.672   5.044
  125   1HG   ARG  18          2HG       ARG  18  -4.608  10.882   3.785
  126   2HG   ARG  18          3HG       ARG  18  -3.117  11.165   2.909
  127   1HD   ARG  18          2HD       ARG  18  -4.229   8.733   1.866
  128   2HD   ARG  18          3HD       ARG  18  -5.549   9.881   1.975
  129    HE   ARG  18           HE       ARG  18  -3.239  10.045   0.189
  130   1HH1  ARG  18          1HH1      ARG  18  -4.195  13.145  -1.098
  131   2HH1  ARG  18          2HH1      ARG  18  -3.157  11.774  -1.302
  132   1HH2  ARG  18          1HH2      ARG  18  -5.671  13.225   0.693
  133   2HH2  ARG  18          2HH2      ARG  18  -5.734  11.915   1.823
  134    H    ALA  19           HN       ALA  19  -1.506   7.164   5.275
  135    HA   ALA  19           HA       ALA  19   0.248   8.704   6.925
  136   1HB   ALA  19          1HB       ALA  19  -0.876   7.347   8.341
  137   2HB   ALA  19          2HB       ALA  19  -1.298   6.202   7.044
  138   3HB   ALA  19          3HB       ALA  19   0.285   6.088   7.853
  139    H    CYS  20           HN       CYS  20   2.004   9.151   5.413
  140    HA   CYS  20           HA       CYS  20   4.085   7.302   5.666
  141   1HB   CYS  20          2HB       CYS  20   2.706   6.167   3.848
  142   2HB   CYS  20          3HB       CYS  20   3.104   7.521   2.808
  143    HA   PRO  21           HA       PRO  21   5.082  11.643   4.866
  144   1HB   PRO  21          2HB       PRO  21   6.677  12.037   7.050
  145   2HB   PRO  21          3HB       PRO  21   4.960  12.394   7.039
  146   1HG   PRO  21          2HG       PRO  21   6.373  10.125   8.302
  147   2HG   PRO  21          3HG       PRO  21   4.760  10.731   8.624
  148   1HD   PRO  21          2HD       PRO  21   5.444   8.387   7.119
  149   2HD   PRO  21          3HD       PRO  21   3.841   9.057   7.344
  150    H    LEU  22           HN       LEU  22   6.418   8.874   4.307
  151    HA   LEU  22           HA       LEU  22   9.023  10.094   3.703
  152   1HB   LEU  22          2HB       LEU  22   8.284   7.300   4.538
  153   2HB   LEU  22          3HB       LEU  22   9.782   7.642   3.696
  154    HG   LEU  22           HG       LEU  22   9.039   9.077   6.247
  155   1HD1  LEU  22          1HD1      LEU  22  10.970   6.985   6.685
  156   2HD1  LEU  22          2HD1      LEU  22   9.423   7.296   7.510
  157   3HD1  LEU  22          3HD1      LEU  22   9.461   6.301   6.034
  158   1HD2  LEU  22          1HD2      LEU  22  11.850   8.479   5.547
  159   2HD2  LEU  22          2HD2      LEU  22  11.007   9.621   4.473
  160   3HD2  LEU  22          3HD2      LEU  22  11.114   9.954   6.219
  161    H    ASP  23           HN       ASP  23   8.109   6.927   2.479
  162    HA   ASP  23           HA       ASP  23   6.774   7.691   0.206
  163   1HB   ASP  23          2HB       ASP  23   8.999   8.846  -0.269
  164   2HB   ASP  23          3HB       ASP  23   9.759   7.267  -0.277
  165    H    VAL  24           HN       VAL  24   5.772   5.655   0.933
  166    HA   VAL  24           HA       VAL  24   7.327   3.307   0.120
  167    HB   VAL  24           HB       VAL  24   5.721   3.709   2.644
  168   1HG1  VAL  24          1HG1      VAL  24   4.967   1.601   2.176
  169   2HG1  VAL  24          2HG1      VAL  24   6.362   1.207   1.143
  170   3HG1  VAL  24          3HG1      VAL  24   6.528   1.174   2.916
  171   1HG2  VAL  24          1HG2      VAL  24   7.868   4.338   3.182
  172   2HG2  VAL  24          2HG2      VAL  24   7.962   2.590   3.502
  173   3HG2  VAL  24          3HG2      VAL  24   8.609   3.252   1.982
  174    H    LEU  25           HN       LEU  25   3.995   4.126   1.329
  175    HA   LEU  25           HA       LEU  25   2.799   2.338  -0.502
  176   1HB   LEU  25          2HB       LEU  25   1.503   4.596   1.024
  177   2HB   LEU  25          3HB       LEU  25   0.719   3.183   0.347
  178    HG   LEU  25           HG       LEU  25   2.809   2.355   2.161
  179   1HD1  LEU  25          1HD1      LEU  25   1.285   3.273   4.180
  180   2HD1  LEU  25          2HD1      LEU  25   2.740   4.108   3.585
  181   3HD1  LEU  25          3HD1      LEU  25   1.128   4.634   3.045
  182   1HD2  LEU  25          1HD2      LEU  25   1.330   0.738   2.537
  183   2HD2  LEU  25          2HD2      LEU  25   0.086   1.897   3.064
  184   3HD2  LEU  25          3HD2      LEU  25   0.280   1.525   1.333
  185    H    GLU  26           HN       GLU  26   3.890   3.039  -2.507
  186    HA   GLU  26           HA       GLU  26   2.770   5.533  -3.508
  187   1HB   GLU  26          2HB       GLU  26   5.157   3.920  -4.513
  188   2HB   GLU  26          3HB       GLU  26   4.594   5.425  -5.215
  189   1HG   GLU  26          2HG       GLU  26   4.978   5.654  -2.302
  190   2HG   GLU  26          3HG       GLU  26   6.449   5.154  -3.113
  191    H    MET  27           HN       MET  27   2.960   5.135  -6.264
  192    HA   MET  27           HA       MET  27   0.836   3.223  -6.605
  193   1HB   MET  27          2HB       MET  27   0.631   4.313  -8.854
  194   2HB   MET  27          3HB       MET  27   0.646   5.515  -7.579
  195   1HG   MET  27          2HG       MET  27   2.390   6.522  -8.631
  196   2HG   MET  27          3HG       MET  27   3.380   5.136  -8.219
  197   1HE   MET  27          1HE       MET  27   2.999   7.317 -10.752
  198   2HE   MET  27          2HE       MET  27   2.514   6.532 -12.276
  199   3HE   MET  27          3HE       MET  27   1.288   6.919 -11.043
  200    H    VAL  28           HN       VAL  28   0.970   1.311  -7.787
  201    HA   VAL  28           HA       VAL  28   3.546   0.791  -9.094
  202    HB   VAL  28           HB       VAL  28   3.776  -1.262  -8.087
  203   1HG1  VAL  28          1HG1      VAL  28   2.426  -0.247  -5.669
  204   2HG1  VAL  28          2HG1      VAL  28   4.132  -0.674  -5.941
  205   3HG1  VAL  28          3HG1      VAL  28   3.521   0.919  -6.448
  206   1HG2  VAL  28          1HG2      VAL  28   0.853  -1.249  -8.056
  207   2HG2  VAL  28          2HG2      VAL  28   1.991  -2.615  -8.130
  208   3HG2  VAL  28          3HG2      VAL  28   1.547  -1.912  -6.556
  209    HA   PRO  29           HA       PRO  29   1.146  -0.692 -12.367
  210   1HB   PRO  29          2HB       PRO  29   2.569  -2.803 -13.359
  211   2HB   PRO  29          3HB       PRO  29   2.985  -1.131 -13.679
  212   1HG   PRO  29          2HG       PRO  29   4.300  -3.051 -11.856
  213   2HG   PRO  29          3HG       PRO  29   4.926  -1.549 -12.507
  214   1HD   PRO  29          2HD       PRO  29   3.938  -1.988  -9.850
  215   2HD   PRO  29          3HD       PRO  29   4.456  -0.461 -10.537
  216    H    TRP  30           HN       TRP  30  -0.861  -1.455 -12.246
  217    HA   TRP  30           HA       TRP  30  -1.040  -4.196 -11.203
  218   1HB   TRP  30          2HB       TRP  30  -1.766  -2.683  -9.465
  219   2HB   TRP  30          3HB       TRP  30  -2.838  -1.852 -10.574
  220    HD1  TRP  30           HD1      TRP  30  -5.278  -2.538  -9.959
  221    HE1  TRP  30           HE1      TRP  30  -6.625  -4.716  -9.324
  222    HE3  TRP  30           HE3      TRP  30  -1.260  -5.655  -9.950
  223    HZ2  TRP  30           HZ2      TRP  30  -5.876  -7.438  -8.899
  224    HZ3  TRP  30           HZ3      TRP  30  -1.654  -8.057  -9.415
  225    HH2  TRP  30           HH2      TRP  30  -3.867  -8.960  -8.902
  226    H    ASP  31           HN       ASP  31  -4.057  -2.788 -11.904
  227    HA   ASP  31           HA       ASP  31  -4.215  -2.634 -14.581
  228   1HB   ASP  31          2HB       ASP  31  -3.515  -5.263 -13.988
  229   2HB   ASP  31          3HB       ASP  31  -5.260  -5.374 -14.103
  230    H    GLY  32           HN       GLY  32  -5.717  -4.535 -11.858
  231   1HA   GLY  32          1HA       GLY  32  -8.383  -4.233 -12.506
  232   2HA   GLY  32          2HA       GLY  32  -7.739  -4.421 -10.886
  233    H    CYS  33           HN       CYS  33  -6.069  -1.796 -11.550
  234    HA   CYS  33           HA       CYS  33  -8.024  -0.069 -10.372
  235   1HB   CYS  33          2HB       CYS  33  -5.127  -0.150 -10.613
  236   2HB   CYS  33          3HB       CYS  33  -5.740   1.442 -11.016
  237    HG   CYS  33           HG       CYS  33  -5.013   0.653  -8.334
  238    H    LYS  34           HN       LYS  34  -8.596   2.068 -11.347
  239    HA   LYS  34           HA       LYS  34  -9.445   1.815 -13.978
  240   1HB   LYS  34          2HB       LYS  34  -9.933   3.514 -11.864
  241   2HB   LYS  34          3HB       LYS  34  -9.106   4.569 -12.993
  242   1HG   LYS  34          2HG       LYS  34 -11.397   2.758 -13.867
  243   2HG   LYS  34          3HG       LYS  34 -11.680   4.367 -13.232
  244   1HD   LYS  34          2HD       LYS  34  -9.624   4.690 -15.167
  245   2HD   LYS  34          3HD       LYS  34 -10.759   3.570 -15.894
  246   1HE   LYS  34          2HE       LYS  34 -12.469   5.136 -15.992
  247   2HE   LYS  34          3HE       LYS  34 -11.977   5.931 -14.511
  248   1HZ   LYS  34          1HZ       LYS  34 -11.186   7.448 -15.907
  249   2HZ   LYS  34          2HZ       LYS  34  -9.919   6.440 -16.119
  250   3HZ   LYS  34          3HZ       LYS  34 -11.147   6.444 -17.195
  251    H    ALA  35           HN       ALA  35  -6.376   2.857 -12.580
  252    HA   ALA  35           HA       ALA  35  -5.505   3.670 -15.268
  253   1HB   ALA  35          1HB       ALA  35  -4.019   5.179 -14.257
  254   2HB   ALA  35          2HB       ALA  35  -5.460   5.292 -13.219
  255   3HB   ALA  35          3HB       ALA  35  -4.060   4.326 -12.695
  256    H    GLY  36           HN       GLY  36  -5.790   0.917 -13.779
  257   1HA   GLY  36          1HA       GLY  36  -4.619  -0.996 -13.606
  258   2HA   GLY  36          2HA       GLY  36  -3.700  -0.408 -14.978
  259    H    GLN  37           HN       GLN  37  -3.907   0.996 -11.648
  260    HA   GLN  37           HA       GLN  37  -1.243   0.051 -11.117
  261   1HB   GLN  37          2HB       GLN  37  -0.446   2.373 -10.529
  262   2HB   GLN  37          3HB       GLN  37  -0.711   2.124 -12.243
  263   1HG   GLN  37          2HG       GLN  37  -2.121   3.896 -12.250
  264   2HG   GLN  37          3HG       GLN  37  -3.219   2.992 -11.226
  265   1HE2  GLN  37          1HE2      GLN  37  -3.470   3.505  -9.140
  266   2HE2  GLN  37          2HE2      GLN  37  -2.647   4.784  -8.311
  267    H    ILE  38           HN       ILE  38  -1.296  -0.743  -9.062
  268    HA   ILE  38           HA       ILE  38  -3.353   0.322  -7.280
  269    HB   ILE  38           HB       ILE  38  -2.912  -2.202  -7.955
  270   1HG1  ILE  38          2HG1      ILE  38  -3.533  -2.246  -5.147
  271   2HG1  ILE  38          3HG1      ILE  38  -4.266  -0.826  -5.868
  272   1HG2  ILE  38          1HG2      ILE  38  -1.481  -2.381  -5.378
  273   2HG2  ILE  38          2HG2      ILE  38  -1.305  -3.338  -6.869
  274   3HG2  ILE  38          3HG2      ILE  38  -0.529  -1.741  -6.740
  275   1HD1  ILE  38          1HD1      ILE  38  -5.433  -3.275  -5.934
  276   2HD1  ILE  38          2HD1      ILE  38  -5.686  -2.057  -7.208
  277   3HD1  ILE  38          3HD1      ILE  38  -4.498  -3.362  -7.446
  278    H    ALA  39           HN       ALA  39  -2.860   1.127  -5.206
  279    HA   ALA  39           HA       ALA  39  -0.237   2.274  -5.030
  280   1HB   ALA  39          1HB       ALA  39  -1.638   3.812  -4.137
  281   2HB   ALA  39          2HB       ALA  39  -2.898   2.601  -3.799
  282   3HB   ALA  39          3HB       ALA  39  -1.549   2.824  -2.660
  283    H    SER  40           HN       SER  40   1.473   1.089  -4.339
  284    HA   SER  40           HA       SER  40   1.157  -0.342  -1.880
  285   1HB   SER  40          2HB       SER  40   1.792  -1.725  -4.506
  286   2HB   SER  40          3HB       SER  40   2.373  -2.382  -2.989
  287    HG   SER  40           HG       SER  40   0.395  -3.369  -3.339
  288    H    SER  41           HN       SER  41   3.593  -1.622  -1.684
  289    HA   SER  41           HA       SER  41   5.358   0.631  -1.740
  290   1HB   SER  41          2HB       SER  41   6.046  -2.175  -0.798
  291   2HB   SER  41          3HB       SER  41   6.774  -0.662  -0.295
  292    HG   SER  41           HG       SER  41   3.968  -1.049   0.135
  293    HA   PRO  42           HA       PRO  42   7.139  -0.826  -5.486
  294   1HB   PRO  42          2HB       PRO  42   8.846   1.265  -5.906
  295   2HB   PRO  42          3HB       PRO  42   7.167   1.284  -6.406
  296   1HG   PRO  42          2HG       PRO  42   8.438   2.672  -4.126
  297   2HG   PRO  42          3HG       PRO  42   6.894   3.000  -4.888
  298   1HD   PRO  42          2HD       PRO  42   7.323   1.660  -2.389
  299   2HD   PRO  42          3HD       PRO  42   5.790   1.886  -3.208
  300    H    ARG  43           HN       ARG  43   9.440   0.716  -3.282
  301    HA   ARG  43           HA       ARG  43  10.918  -1.775  -3.428
  302   1HB   ARG  43          2HB       ARG  43  12.202   0.998  -3.595
  303   2HB   ARG  43          3HB       ARG  43  13.056  -0.532  -3.632
  304   1HG   ARG  43          2HG       ARG  43  10.877  -0.191  -5.665
  305   2HG   ARG  43          3HG       ARG  43  12.296   0.815  -5.882
  306   1HD   ARG  43          2HD       ARG  43  12.983  -1.083  -7.048
  307   2HD   ARG  43          3HD       ARG  43  13.610  -1.477  -5.459
  308    HE   ARG  43           HE       ARG  43  10.938  -2.435  -5.555
  309   1HH1  ARG  43          1HH1      ARG  43  11.627  -5.628  -6.783
  310   2HH1  ARG  43          2HH1      ARG  43  10.465  -4.631  -5.972
  311   1HH2  ARG  43          1HH2      ARG  43  13.663  -4.733  -7.444
  312   2HH2  ARG  43          2HH2      ARG  43  14.021  -3.068  -7.128
  313    H    THR  44           HN       THR  44  10.009   1.244  -1.774
  314    HA   THR  44           HA       THR  44   9.943   1.795   0.382
  315    HB   THR  44           HB       THR  44  10.690  -1.136   0.873
  316    HG1  THR  44           1HG      THR  44   8.690  -1.264  -0.092
  317   1HG2  THR  44          1HG2      THR  44   9.268  -0.747   2.948
  318   2HG2  THR  44          2HG2      THR  44  10.805   0.151   2.967
  319   3HG2  THR  44          3HG2      THR  44   9.287   0.993   2.571
  320    H    GLU  45           HN       GLU  45  12.602   1.299  -1.372
  321    HA   GLU  45           HA       GLU  45  14.727   0.916   0.155
  322   1HB   GLU  45          2HB       GLU  45  15.973   2.352  -1.353
  323   2HB   GLU  45          3HB       GLU  45  14.715   1.556  -2.276
  324   1HG   GLU  45          2HG       GLU  45  13.322   3.544  -2.269
  325   2HG   GLU  45          3HG       GLU  45  14.330   4.328  -1.069
  326    H    ASP  46           HN       ASP  46  12.459   3.621   0.390
  327    HA   ASP  46           HA       ASP  46  14.190   4.765   2.438
  328   1HB   ASP  46          2HB       ASP  46  12.326   5.958   0.404
  329   2HB   ASP  46          3HB       ASP  46  12.386   6.749   1.966
  330    H    CYS  47           HN       CYS  47  13.369   4.556   4.530
  331    HA   CYS  47           HA       CYS  47  10.975   5.151   5.470
  332   1HB   CYS  47          2HB       CYS  47   9.604   3.790   4.198
  333   2HB   CYS  47          3HB       CYS  47  10.770   2.485   4.114
  334    H    VAL  48           HN       VAL  48  10.791   4.509   7.736
  335    HA   VAL  48           HA       VAL  48  12.724   2.576   8.700
  336    HB   VAL  48           HB       VAL  48  13.933   4.731   8.550
  337   1HG1  VAL  48          1HG1      VAL  48  11.508   5.710   9.847
  338   2HG1  VAL  48          2HG1      VAL  48  12.980   6.194  10.722
  339   3HG1  VAL  48          3HG1      VAL  48  12.793   6.604   9.001
  340   1HG2  VAL  48          1HG2      VAL  48  15.006   3.561  10.159
  341   2HG2  VAL  48          2HG2      VAL  48  14.282   4.765  11.253
  342   3HG2  VAL  48          3HG2      VAL  48  13.503   3.179  11.034
  343    H    GLY  49           HN       GLY  49   9.851   2.547   8.446
  344   1HA   GLY  49          1HA       GLY  49   7.993   2.169   9.655
  345   2HA   GLY  49          2HA       GLY  49   9.077   1.642  10.928
  346    H    CYS  50           HN       CYS  50   7.482   4.544   9.498
  347    HA   CYS  50           HA       CYS  50   8.153   6.159  11.753
  348   1HB   CYS  50          2HB       CYS  50   6.913   7.905  10.655
  349   2HB   CYS  50          3HB       CYS  50   7.896   7.085   9.458
  350    H    LYS  51           HN       LYS  51   5.258   7.341  11.553
  351    HA   LYS  51           HA       LYS  51   4.205   6.451  13.842
  352   1HB   LYS  51          2HB       LYS  51   3.220   7.825  11.472
  353   2HB   LYS  51          3HB       LYS  51   1.959   6.869  12.224
  354   1HG   LYS  51          2HG       LYS  51   3.144   8.000  14.448
  355   2HG   LYS  51          3HG       LYS  51   3.398   9.266  13.264
  356   1HD   LYS  51          2HD       LYS  51   0.869   8.967  12.672
  357   2HD   LYS  51          3HD       LYS  51   0.755   8.058  14.166
  358   1HE   LYS  51          2HE       LYS  51   0.689   9.972  15.381
  359   2HE   LYS  51          3HE       LYS  51   2.217  10.499  14.703
  360   1HZ   LYS  51          1HZ       LYS  51   0.129  10.757  12.827
  361   2HZ   LYS  51          2HZ       LYS  51  -0.225  11.569  14.198
  362   3HZ   LYS  51          3HZ       LYS  51   1.156  11.895  13.390
  363    H    ARG  52           HN       ARG  52   2.882   5.223  10.689
  364    HA   ARG  52           HA       ARG  52   3.305   2.587  11.193
  365   1HB   ARG  52          2HB       ARG  52   1.380   3.516  13.005
  366   2HB   ARG  52          3HB       ARG  52   0.397   2.835  11.725
  367   1HG   ARG  52          2HG       ARG  52   2.344   0.884  12.005
  368   2HG   ARG  52          3HG       ARG  52   2.207   1.468  13.652
  369   1HD   ARG  52          2HD       ARG  52  -0.392   1.016  12.239
  370   2HD   ARG  52          3HD       ARG  52   0.546  -0.428  12.560
  371    HE   ARG  52           HE       ARG  52  -0.842   1.187  14.525
  372   1HH1  ARG  52          1HH1      ARG  52   0.589  -0.415  17.275
  373   2HH1  ARG  52          2HH1      ARG  52  -0.682   0.631  16.735
  374   1HH2  ARG  52          1HH2      ARG  52   2.129  -1.251  15.754
  375   2HH2  ARG  52          2HH2      ARG  52   2.008  -0.830  14.078
  376    H    CYS  53           HN       CYS  53   1.503   1.182   9.874
  377    HA   CYS  53           HA       CYS  53   0.076   2.656   7.912
  378   1HB   CYS  53          2HB       CYS  53   1.442   1.489   6.001
  379   2HB   CYS  53          3HB       CYS  53   1.968   3.027   6.655
  380    H    GLU  54           HN       GLU  54  -0.916   0.930   9.749
  381    HA   GLU  54           HA       GLU  54  -0.872  -1.718   8.604
  382   1HB   GLU  54          2HB       GLU  54  -0.963  -0.809  11.212
  383   2HB   GLU  54          3HB       GLU  54  -2.651  -1.179  10.924
  384   1HG   GLU  54          2HG       GLU  54  -0.852  -3.272   9.872
  385   2HG   GLU  54          3HG       GLU  54  -0.646  -3.024  11.595
  386    H    THR  55           HN       THR  55  -2.412   1.075   7.844
  387    HA   THR  55           HA       THR  55  -5.098  -0.027   7.625
  388    HB   THR  55           HB       THR  55  -4.549   2.363   8.385
  389    HG1  THR  55           1HG      THR  55  -6.556   1.452   7.209
  390   1HG2  THR  55          1HG2      THR  55  -3.847   3.987   6.807
  391   2HG2  THR  55          2HG2      THR  55  -2.795   2.609   6.402
  392   3HG2  THR  55          3HG2      THR  55  -4.242   2.943   5.420
  393    H    ALA  56           HN       ALA  56  -2.634  -1.090   6.121
  394    HA   ALA  56           HA       ALA  56  -2.642  -0.403   3.491
  395   1HB   ALA  56          1HB       ALA  56  -1.877  -2.731   3.100
  396   2HB   ALA  56          2HB       ALA  56  -1.100  -2.011   4.529
  397   3HB   ALA  56          3HB       ALA  56  -2.430  -3.177   4.732
  398    H    CYS  57           HN       CYS  57  -4.807  -2.816   5.127
  399    HA   CYS  57           HA       CYS  57  -7.083  -2.107   3.829
  400   1HB   CYS  57          2HB       CYS  57  -5.354  -3.331   1.943
  401   2HB   CYS  57          3HB       CYS  57  -6.595  -4.514   2.308
  402    HA   PRO  58           HA       PRO  58  -8.392  -5.318   6.466
  403   1HB   PRO  58          2HB       PRO  58 -10.794  -6.107   5.429
  404   2HB   PRO  58          3HB       PRO  58 -10.595  -4.654   6.386
  405   1HG   PRO  58          2HG       PRO  58 -10.961  -4.913   3.464
  406   2HG   PRO  58          3HG       PRO  58 -11.184  -3.500   4.477
  407   1HD   PRO  58          2HD       PRO  58  -8.961  -4.036   2.746
  408   2HD   PRO  58          3HD       PRO  58  -9.131  -2.682   3.845
  409    H    THR  59           HN       THR  59  -9.658  -7.676   6.385
  410    HA   THR  59           HA       THR  59  -7.616  -9.291   5.193
  411    HB   THR  59           HB       THR  59 -10.250  -9.978   6.601
  412    HG1  THR  59           1HG      THR  59  -7.443  -9.550   7.327
  413   1HG2  THR  59          1HG2      THR  59  -7.824 -11.714   6.799
  414   2HG2  THR  59          2HG2      THR  59  -9.539 -12.178   6.697
  415   3HG2  THR  59          3HG2      THR  59  -8.645 -11.746   5.220
  416    H    ASP  60           HN       ASP  60 -10.441  -7.793   3.996
  417    HA   ASP  60           HA       ASP  60 -11.618  -9.624   2.441
  418   1HB   ASP  60          2HB       ASP  60 -11.270  -6.736   2.441
  419   2HB   ASP  60          3HB       ASP  60 -11.242  -7.311   0.786
  420    H    PHE  61           HN       PHE  61  -8.361  -8.269   2.198
  421    HA   PHE  61           HA       PHE  61  -7.846 -10.009  -0.074
  422   1HB   PHE  61          2HB       PHE  61  -8.282  -7.245  -0.328
  423   2HB   PHE  61          3HB       PHE  61  -6.544  -7.306  -0.115
  424    HD1  PHE  61           1HD      PHE  61  -8.858  -6.996  -2.537
  425    HD2  PHE  61           2HD      PHE  61  -5.589  -9.525  -1.575
  426    HE1  PHE  61           1HE      PHE  61  -8.581  -7.562  -4.967
  427    HE2  PHE  61           2HE      PHE  61  -5.312 -10.090  -4.004
  428    HZ   PHE  61           HZ       PHE  61  -6.811  -9.102  -5.671
  429    H    LEU  62           HN       LEU  62  -6.165  -7.379   1.802
  430    HA   LEU  62           HA       LEU  62  -3.709  -8.646   1.841
  431   1HB   LEU  62          2HB       LEU  62  -4.776  -6.249   2.684
  432   2HB   LEU  62          3HB       LEU  62  -4.305  -7.007   4.192
  433    HG   LEU  62           HG       LEU  62  -2.390  -6.800   1.868
  434   1HD1  LEU  62          1HD1      LEU  62  -2.654  -4.561   2.064
  435   2HD1  LEU  62          2HD1      LEU  62  -3.300  -4.664   3.719
  436   3HD1  LEU  62          3HD1      LEU  62  -1.548  -4.793   3.439
  437   1HD2  LEU  62          1HD2      LEU  62  -1.055  -6.591   4.319
  438   2HD2  LEU  62          2HD2      LEU  62  -2.282  -7.858   4.559
  439   3HD2  LEU  62          3HD2      LEU  62  -1.107  -7.996   3.228
  440    H    SER  63           HN       SER  63  -2.764 -10.225   3.077
  441    HA   SER  63           HA       SER  63  -4.581 -11.639   4.804
  442   1HB   SER  63          2HB       SER  63  -2.823 -12.553   2.967
  443   2HB   SER  63          3HB       SER  63  -1.756 -12.562   4.359
  444    HG   SER  63           HG       SER  63  -3.403 -14.479   3.738
  445    H    ILE  64           HN       ILE  64  -3.500  -8.985   5.612
  446    HA   ILE  64           HA       ILE  64  -2.229  -7.998   7.188
  447    HB   ILE  64           HB       ILE  64  -2.888  -8.857   9.472
  448   1HG1  ILE  64          2HG1      ILE  64  -3.185 -11.253   8.554
  449   2HG1  ILE  64          3HG1      ILE  64  -4.315 -10.661   9.755
  450   1HG2  ILE  64          1HG2      ILE  64  -4.643  -7.840   7.317
  451   2HG2  ILE  64          2HG2      ILE  64  -5.468  -8.476   8.760
  452   3HG2  ILE  64          3HG2      ILE  64  -4.274  -7.166   8.922
  453   1HD1  ILE  64          1HD1      ILE  64  -6.078 -10.729   8.308
  454   2HD1  ILE  64          2HD1      ILE  64  -5.128 -10.024   6.979
  455   3HD1  ILE  64          3HD1      ILE  64  -5.026 -11.768   7.318
  456    H    ARG  65           HN       ARG  65  -0.142  -8.634   6.238
  457    HA   ARG  65           HA       ARG  65   1.089 -10.978   7.201
  458   1HB   ARG  65          2HB       ARG  65   2.013  -8.553   5.620
  459   2HB   ARG  65          3HB       ARG  65   3.195  -9.709   6.200
  460   1HG   ARG  65          2HG       ARG  65   0.749 -10.519   4.565
  461   2HG   ARG  65          3HG       ARG  65   2.295 -10.132   3.836
  462   1HD   ARG  65          2HD       ARG  65   3.350 -12.044   4.704
  463   2HD   ARG  65          3HD       ARG  65   2.270 -12.150   6.081
  464    HE   ARG  65           HE       ARG  65   1.018 -12.600   3.438
  465   1HH1  ARG  65          1HH1      ARG  65   0.336 -15.930   4.223
  466   2HH1  ARG  65          2HH1      ARG  65   0.052 -14.642   3.100
  467   1HH2  ARG  65          1HH2      ARG  65   1.697 -15.581   6.069
  468   2HH2  ARG  65          2HH2      ARG  65   2.430 -14.032   6.325
  469    H    VAL  66           HN       VAL  66   1.053 -10.836   9.530
  470    HA   VAL  66           HA       VAL  66   1.708  -8.674  11.056
  471    HB   VAL  66           HB       VAL  66   2.176 -11.627  11.483
  472   1HG1  VAL  66          1HG1      VAL  66   3.683 -10.334  12.944
  473   2HG1  VAL  66          2HG1      VAL  66   2.293  -9.402  13.549
  474   3HG1  VAL  66          3HG1      VAL  66   2.402 -11.150  13.873
  475   1HG2  VAL  66          1HG2      VAL  66  -0.174 -10.148  11.329
  476   2HG2  VAL  66          2HG2      VAL  66   0.017 -11.756  12.067
  477   3HG2  VAL  66          3HG2      VAL  66   0.121 -10.296  13.078
  478    H    TYR  67           HN       TYR  67   3.382  -7.363  10.294
  479    HA   TYR  67           HA       TYR  67   6.045  -8.560  10.584
  480   1HB   TYR  67          2HB       TYR  67   4.671  -7.094   8.311
  481   2HB   TYR  67          3HB       TYR  67   6.342  -6.656   8.600
  482    HD1  TYR  67           HD1      TYR  67   7.942  -7.779   7.358
  483    HD2  TYR  67           HD2      TYR  67   4.288  -9.792   8.305
  484    HE1  TYR  67           HE1      TYR  67   8.697  -9.798   6.011
  485    HE2  TYR  67           HE2      TYR  67   5.055 -11.804   6.954
  486    HH   TYR  67           HH       TYR  67   7.826 -11.652   4.910
  487    H    LEU  68           HN       LEU  68   4.015  -5.575  10.367
  488    HA   LEU  68           HA       LEU  68   5.800  -3.684  11.078
  489   1HB   LEU  68          2HB       LEU  68   2.912  -4.054  11.842
  490   2HB   LEU  68          3HB       LEU  68   3.816  -2.623  12.298
  491    HG   LEU  68           HG       LEU  68   3.518  -3.541   9.429
  492   1HD1  LEU  68          1HD1      LEU  68   1.322  -3.030  10.627
  493   2HD1  LEU  68          2HD1      LEU  68   1.892  -1.345  10.708
  494   3HD1  LEU  68          3HD1      LEU  68   1.665  -2.133   9.128
  495   1HD2  LEU  68          1HD2      LEU  68   4.340  -1.421   8.804
  496   2HD2  LEU  68          2HD2      LEU  68   4.177  -0.778  10.455
  497   3HD2  LEU  68          3HD2      LEU  68   5.423  -1.997  10.094
  498    H    GLY  69           HN       GLY  69   7.436  -3.951  12.526
  499   1HA   GLY  69          1HA       GLY  69   8.494  -4.614  14.425
  500   2HA   GLY  69          2HA       GLY  69   7.250  -3.629  15.167
  501    H    ALA  70           HN       ALA  70   7.628  -6.962  13.752
  502    HA   ALA  70           HA       ALA  70   6.316  -7.987  16.161
  503   1HB   ALA  70          1HB       ALA  70   4.860  -7.712  13.936
  504   2HB   ALA  70          2HB       ALA  70   5.678  -9.234  13.508
  505   3HB   ALA  70          3HB       ALA  70   4.695  -9.138  14.988
  506    H    GLU  71           HN       GLU  71   7.944  -8.929  13.045
  507    HA   GLU  71           HA       GLU  71   8.931 -11.307  14.049
  508   1HB   GLU  71          2HB       GLU  71   9.265  -9.652  11.643
  509   2HB   GLU  71          3HB       GLU  71  10.748 -10.485  12.068
  510   1HG   GLU  71          2HG       GLU  71   9.464 -11.946  10.607
  511   2HG   GLU  71          3HG       GLU  71   9.452 -12.648  12.214
  512    H    THR  72           HN       THR  72  10.775  -8.236  13.373
  513    HA   THR  72           HA       THR  72  12.821  -7.635  14.121
  514    HB   THR  72           HB       THR  72  12.665  -7.158  16.618
  515    HG1  THR  72           1HG      THR  72  11.403  -8.763  17.516
  516   1HG2  THR  72          1HG2      THR  72  10.990  -6.140  14.566
  517   2HG2  THR  72          2HG2      THR  72   9.883  -6.552  15.898
  518   3HG2  THR  72          3HG2      THR  72  11.235  -5.427  16.178
  519    H    THR  73           HN       THR  73  13.567  -9.844  13.170
  520    HA   THR  73           HA       THR  73  15.333 -10.951  15.153
  521    HB   THR  73           HB       THR  73  13.290 -12.299  15.550
  522    HG1  THR  73           1HG      THR  73  15.488 -13.288  15.416
  523   1HG2  THR  73          1HG2      THR  73  12.590 -11.949  12.957
  524   2HG2  THR  73          2HG2      THR  73  13.495 -13.472  12.779
  525   3HG2  THR  73          3HG2      THR  73  12.088 -13.394  13.867
  526    H    ARG  74           HN       ARG  74  13.968 -11.129  11.820
  527    HA   ARG  74           HA       ARG  74  16.560 -12.002  10.919
  528   1HB   ARG  74          2HB       ARG  74  15.436 -12.316   8.723
  529   2HB   ARG  74          3HB       ARG  74  14.536 -13.114   9.998
  530   1HG   ARG  74          2HG       ARG  74  13.637 -10.350   9.739
  531   2HG   ARG  74          3HG       ARG  74  13.581 -11.139   8.175
  532   1HD   ARG  74          2HD       ARG  74  12.373 -12.334  10.715
  533   2HD   ARG  74          3HD       ARG  74  11.458 -11.392   9.554
  534    HE   ARG  74           HE       ARG  74  12.448 -14.138   9.194
  535   1HH1  ARG  74          1HH1      ARG  74  11.019 -14.398   6.022
  536   2HH1  ARG  74          2HH1      ARG  74  11.768 -15.260   7.324
  537   1HH2  ARG  74          1HH2      ARG  74  10.706 -12.103   6.178
  538   2HH2  ARG  74          2HH2      ARG  74  11.222 -11.253   7.596
  539    H    SER  75           HN       SER  75  14.535  -9.140  11.162
  540    HA   SER  75           HA       SER  75  16.577  -7.685   9.691
  541   1HB   SER  75          2HB       SER  75  13.756  -7.949   8.991
  542   2HB   SER  75          3HB       SER  75  14.141  -6.270   9.318
  543    HG   SER  75           HG       SER  75  14.584  -6.624   7.133
  544    H    MET  76           HN       MET  76  15.605  -8.304  12.627
  545    HA   MET  76           HA       MET  76  14.436  -6.331  13.897
  546   1HB   MET  76          2HB       MET  76  15.368  -8.088  15.221
  547   2HB   MET  76          3HB       MET  76  16.960  -7.909  14.511
  548   1HG   MET  76          2HG       MET  76  17.249  -5.724  15.692
  549   2HG   MET  76          3HG       MET  76  15.648  -5.879  16.386
  550   1HE   MET  76          1HE       MET  76  19.496  -6.889  17.516
  551   2HE   MET  76          2HE       MET  76  18.485  -5.434  17.344
  552   3HE   MET  76          3HE       MET  76  18.577  -6.274  18.911
  553    H    GLY  77           HN       GLY  77  17.964  -6.233  13.006
  554   1HA   GLY  77          1HA       GLY  77  17.950  -3.543  12.240
  555   2HA   GLY  77          2HA       GLY  77  18.406  -3.610  13.931
  556    H    LEU  78           HN       LEU  78  19.768  -6.154  13.965
  557    HA   LEU  78           HA       LEU  78  22.070  -5.482  12.267
  558   1HB   LEU  78          2HB       LEU  78  22.974  -5.166  14.300
  559   2HB   LEU  78          3HB       LEU  78  21.800  -6.178  15.117
  560    HG   LEU  78           HG       LEU  78  24.243  -6.929  15.127
  561   1HD1  LEU  78          1HD1      LEU  78  23.083  -9.338  14.178
  562   2HD1  LEU  78          2HD1      LEU  78  23.291  -8.790  15.859
  563   3HD1  LEU  78          3HD1      LEU  78  21.796  -8.400  14.974
  564   1HD2  LEU  78          1HD2      LEU  78  23.838  -6.784  12.302
  565   2HD2  LEU  78          2HD2      LEU  78  25.314  -7.197  13.206
  566   3HD2  LEU  78          3HD2      LEU  78  24.164  -8.476  12.747
  567    H    ALA  79           HN       ALA  79  20.150  -8.150  13.779
  568    HA   ALA  79           HA       ALA  79  21.329 -10.333  12.784
  569   1HB   ALA  79          1HB       ALA  79  18.775 -11.051  12.395
  570   2HB   ALA  79          2HB       ALA  79  19.447 -10.803  14.024
  571   3HB   ALA  79          3HB       ALA  79  18.484  -9.520  13.254
  572    H    TYR  80           HN       TYR  80  19.571  -7.838  10.946
  573    HA   TYR  80           HA       TYR  80  19.104  -9.197   8.598
  574   1HB   TYR  80          2HB       TYR  80  18.753  -6.966   7.825
  575   2HB   TYR  80          3HB       TYR  80  18.692  -6.709   9.557
  576    HD1  TYR  80           HD1      TYR  80  20.404  -5.911   6.488
  577    HD2  TYR  80           HD2      TYR  80  20.799  -5.897  10.749
  578    HE1  TYR  80           HE1      TYR  80  22.310  -4.237   6.313
  579    HE2  TYR  80           HE2      TYR  80  22.703  -4.223  10.559
  580    HH   TYR  80           HH       TYR  80  24.446  -3.691   8.647
  Start of MODEL   18
    1    H    SER   1           HN       SER   1  -7.413  -2.833  10.388
    2    HA   SER   1           HA       SER   1  -6.238  -4.822  10.710
    3   1HB   SER   1          2HB       SER   1  -6.080  -5.616   8.486
    4   2HB   SER   1          3HB       SER   1  -7.213  -4.285   8.376
    5    HG   SER   1           HG       SER   1  -4.478  -4.406   7.518
    6    H    HIS   2           HN       HIS   2  -4.103  -6.042   9.759
    7    HA   HIS   2           HA       HIS   2  -1.861  -4.251  10.362
    8   1HB   HIS   2          2HB       HIS   2  -0.722  -6.175  11.360
    9   2HB   HIS   2          3HB       HIS   2  -2.218  -5.792  12.190
   10    HD1  HIS   2           HD1      HIS   2  -2.149  -8.307  13.090
   11    HD2  HIS   2           HD2      HIS   2  -2.709  -7.880   8.954
   12    HE1  HIS   2           HE1      HIS   2  -2.978 -10.568  12.244
   13    H    SER   3           HN       SER   3   0.307  -5.519   9.540
   14    HA   SER   3           HA       SER   3   1.499  -6.048   7.806
   15   1HB   SER   3          2HB       SER   3   0.880  -7.925   6.475
   16   2HB   SER   3          3HB       SER   3   0.084  -8.179   8.015
   17    HG   SER   3           HG       SER   3  -1.096  -7.196   5.565
   18    H    VAL   4           HN       VAL   4   1.917  -5.516   5.500
   19    HA   VAL   4           HA       VAL   4  -0.200  -4.018   4.183
   20    HB   VAL   4           HB       VAL   4   2.497  -2.875   4.933
   21   1HG1  VAL   4          1HG1      VAL   4   2.156  -1.068   3.522
   22   2HG1  VAL   4          2HG1      VAL   4   1.526  -2.414   2.542
   23   3HG1  VAL   4          3HG1      VAL   4   0.401  -1.345   3.413
   24   1HG2  VAL   4          1HG2      VAL   4   0.943  -1.053   5.899
   25   2HG2  VAL   4          2HG2      VAL   4  -0.341  -2.280   5.777
   26   3HG2  VAL   4          3HG2      VAL   4   1.092  -2.587   6.788
   27    H    LYS   5           HN       LYS   5   3.325  -4.908   4.046
   28    HA   LYS   5           HA       LYS   5   4.573  -5.535   2.310
   29   1HB   LYS   5          2HB       LYS   5   2.897  -7.525   3.053
   30   2HB   LYS   5          3HB       LYS   5   2.472  -7.410   1.357
   31   1HG   LYS   5          2HG       LYS   5   5.118  -7.359   1.004
   32   2HG   LYS   5          3HG       LYS   5   5.148  -8.086   2.598
   33   1HD   LYS   5          2HD       LYS   5   5.111  -9.897   0.993
   34   2HD   LYS   5          3HD       LYS   5   3.536  -9.860   1.761
   35   1HE   LYS   5          2HE       LYS   5   2.482  -8.900  -0.146
   36   2HE   LYS   5          3HE       LYS   5   3.993  -8.312  -0.809
   37   1HZ   LYS   5          1HZ       LYS   5   4.595 -10.439  -1.450
   38   2HZ   LYS   5          2HZ       LYS   5   3.510 -11.178  -0.479
   39   3HZ   LYS   5          3HZ       LYS   5   3.003 -10.381  -1.812
   40    H    ILE   6           HN       ILE   6   4.036  -6.444  -0.299
   41    HA   ILE   6           HA       ILE   6   2.818  -4.028  -1.441
   42    HB   ILE   6           HB       ILE   6   5.057  -5.761  -2.494
   43   1HG1  ILE   6          2HG1      ILE   6   5.865  -3.078  -2.224
   44   2HG1  ILE   6          3HG1      ILE   6   5.009  -3.452  -0.741
   45   1HG2  ILE   6          1HG2      ILE   6   4.612  -3.209  -3.831
   46   2HG2  ILE   6          2HG2      ILE   6   4.833  -4.840  -4.509
   47   3HG2  ILE   6          3HG2      ILE   6   3.220  -4.307  -3.980
   48   1HD1  ILE   6          1HD1      ILE   6   6.508  -5.757  -1.116
   49   2HD1  ILE   6          2HD1      ILE   6   7.594  -4.492  -1.736
   50   3HD1  ILE   6          3HD1      ILE   6   6.974  -4.394  -0.071
   51    H    TYR   7           HN       TYR   7   0.801  -5.459  -0.938
   52    HA   TYR   7           HA       TYR   7   0.455  -7.528  -2.966
   53   1HB   TYR   7          2HB       TYR   7  -0.962  -6.489  -0.454
   54   2HB   TYR   7          3HB       TYR   7  -1.823  -7.557  -1.545
   55    HD1  TYR   7           HD1      TYR   7   0.028  -9.604  -2.314
   56    HD2  TYR   7           HD2      TYR   7  -0.320  -7.621   1.461
   57    HE1  TYR   7           HE1      TYR   7   1.065 -11.615  -1.153
   58    HE2  TYR   7           HE2      TYR   7   0.718  -9.639   2.608
   59    HH   TYR   7           HH       TYR   7   1.033 -12.615   1.082
   60    H    ASP   8           HN       ASP   8  -1.703  -7.575  -4.137
   61    HA   ASP   8           HA       ASP   8  -2.090  -4.973  -5.261
   62   1HB   ASP   8          2HB       ASP   8  -3.753  -6.337  -6.735
   63   2HB   ASP   8          3HB       ASP   8  -2.040  -6.663  -6.907
   64    H    THR   9           HN       THR   9  -2.943  -5.043  -2.562
   65    HA   THR   9           HA       THR   9  -5.849  -5.418  -2.679
   66    HB   THR   9           HB       THR   9  -4.489  -6.535  -0.864
   67    HG1  THR   9           1HG      THR   9  -6.753  -5.602  -0.659
   68   1HG2  THR   9          1HG2      THR   9  -3.312  -5.301   0.765
   69   2HG2  THR   9          2HG2      THR   9  -2.920  -4.371  -0.701
   70   3HG2  THR   9          3HG2      THR   9  -4.196  -3.799   0.401
   71    H    CYS  10           HN       CYS  10  -6.614  -3.647  -3.797
   72    HA   CYS  10           HA       CYS  10  -6.536  -1.212  -2.268
   73   1HB   CYS  10          2HB       CYS  10  -4.532  -1.189  -3.900
   74   2HB   CYS  10          3HB       CYS  10  -5.724  -1.018  -5.173
   75    H    ILE  11           HN       ILE  11  -8.254   0.313  -3.088
   76    HA   ILE  11           HA       ILE  11 -10.130  -0.970  -4.925
   77    HB   ILE  11           HB       ILE  11 -11.996  -0.419  -3.451
   78   1HG1  ILE  11          2HG1      ILE  11 -11.061  -0.107  -0.923
   79   2HG1  ILE  11          3HG1      ILE  11  -9.840   0.787  -1.807
   80   1HG2  ILE  11          1HG2      ILE  11  -9.854  -2.278  -2.421
   81   2HG2  ILE  11          2HG2      ILE  11 -11.451  -2.147  -1.647
   82   3HG2  ILE  11          3HG2      ILE  11 -11.325  -2.665  -3.346
   83   1HD1  ILE  11          1HD1      ILE  11 -11.462   2.271  -2.774
   84   2HD1  ILE  11          2HD1      ILE  11 -12.814   1.218  -2.296
   85   3HD1  ILE  11          3HD1      ILE  11 -11.908   2.120  -1.058
   86    H    GLY  12           HN       GLY  12  -9.046   1.951  -3.116
   87   1HA   GLY  12          1HA       GLY  12  -8.614   3.767  -4.875
   88   2HA   GLY  12          2HA       GLY  12 -10.336   3.630  -5.165
   89    H    CYS  13           HN       CYS  13  -8.506   3.399  -2.045
   90    HA   CYS  13           HA       CYS  13 -10.161   5.621  -1.101
   91   1HB   CYS  13          2HB       CYS  13 -10.451   4.568   0.871
   92   2HB   CYS  13          3HB       CYS  13 -10.036   3.126  -0.034
   93    H    THR  14           HN       THR  14  -9.019   7.103   0.499
   94    HA   THR  14           HA       THR  14  -6.248   7.488  -0.379
   95    HB   THR  14           HB       THR  14  -7.820   9.360  -0.764
   96    HG1  THR  14           1HG      THR  14  -6.254  10.705   0.093
   97   1HG2  THR  14          1HG2      THR  14  -9.552   9.338   0.826
   98   2HG2  THR  14          2HG2      THR  14  -8.465   8.844   2.145
   99   3HG2  THR  14          3HG2      THR  14  -8.461  10.529   1.571
  100    H    GLN  15           HN       GLN  15  -6.409   5.332   1.265
  101    HA   GLN  15           HA       GLN  15  -5.356   6.471   3.732
  102   1HB   GLN  15          2HB       GLN  15  -6.676   5.159   5.044
  103   2HB   GLN  15          3HB       GLN  15  -7.699   5.045   3.626
  104   1HG   GLN  15          2HG       GLN  15  -6.309   2.999   2.921
  105   2HG   GLN  15          3HG       GLN  15  -5.549   3.065   4.500
  106   1HE2  GLN  15          1HE2      GLN  15  -6.638   0.819   4.208
  107   2HE2  GLN  15          2HE2      GLN  15  -8.195   0.634   4.942
  108    H    CYS  16           HN       CYS  16  -3.439   5.517   4.535
  109    HA   CYS  16           HA       CYS  16  -1.734   4.082   4.632
  110   1HB   CYS  16          2HB       CYS  16  -1.832   1.978   3.814
  111   2HB   CYS  16          3HB       CYS  16  -3.504   2.389   3.489
  112    H    VAL  17           HN       VAL  17  -2.846   4.981   1.297
  113    HA   VAL  17           HA       VAL  17  -0.137   5.420   0.435
  114    HB   VAL  17           HB       VAL  17  -2.690   6.169  -0.984
  115   1HG1  VAL  17          1HG1      VAL  17  -1.425   6.461  -2.828
  116   2HG1  VAL  17          2HG1      VAL  17  -0.078   6.611  -1.675
  117   3HG1  VAL  17          3HG1      VAL  17  -0.398   5.051  -2.471
  118   1HG2  VAL  17          1HG2      VAL  17  -2.497   3.873  -2.053
  119   2HG2  VAL  17          2HG2      VAL  17  -1.384   3.448  -0.731
  120   3HG2  VAL  17          3HG2      VAL  17  -3.065   3.904  -0.367
  121    H    ARG  18           HN       ARG  18  -1.992   7.032   2.586
  122    HA   ARG  18           HA       ARG  18  -0.937   9.578   1.657
  123   1HB   ARG  18          2HB       ARG  18  -3.703   8.856   2.230
  124   2HB   ARG  18          3HB       ARG  18  -3.186  10.085   3.367
  125   1HG   ARG  18          2HG       ARG  18  -4.013  11.318   1.503
  126   2HG   ARG  18          3HG       ARG  18  -2.270  11.394   1.334
  127   1HD   ARG  18          2HD       ARG  18  -2.863   9.054  -0.048
  128   2HD   ARG  18          3HD       ARG  18  -4.276  10.033  -0.389
  129    HE   ARG  18           HE       ARG  18  -1.518  10.563  -1.268
  130   1HH1  ARG  18          1HH1      ARG  18  -2.473  13.419  -3.031
  131   2HH1  ARG  18          2HH1      ARG  18  -1.203  12.276  -2.747
  132   1HH2  ARG  18          1HH2      ARG  18  -4.495  13.211  -1.911
  133   2HH2  ARG  18          2HH2      ARG  18  -4.733  11.912  -0.790
  134    H    ALA  19           HN       ALA  19  -2.158   7.623   4.458
  135    HA   ALA  19           HA       ALA  19  -1.440   9.130   6.562
  136   1HB   ALA  19          1HB       ALA  19  -2.431   6.723   6.374
  137   2HB   ALA  19          2HB       ALA  19  -0.735   6.190   6.480
  138   3HB   ALA  19          3HB       ALA  19  -1.455   7.135   7.805
  139    H    CYS  20           HN       CYS  20   0.785   6.725   4.973
  140    HA   CYS  20           HA       CYS  20   3.028   7.186   6.330
  141   1HB   CYS  20          2HB       CYS  20   2.842   5.568   4.492
  142   2HB   CYS  20          3HB       CYS  20   2.829   6.868   3.318
  143    HA   PRO  21           HA       PRO  21   3.582  11.506   5.610
  144   1HB   PRO  21          2HB       PRO  21   5.530  11.914   7.482
  145   2HB   PRO  21          3HB       PRO  21   3.819  11.968   7.853
  146   1HG   PRO  21          2HG       PRO  21   5.783   9.846   8.469
  147   2HG   PRO  21          3HG       PRO  21   4.205  10.122   9.181
  148   1HD   PRO  21          2HD       PRO  21   4.887   8.123   7.241
  149   2HD   PRO  21          3HD       PRO  21   3.288   8.474   7.865
  150    H    LEU  22           HN       LEU  22   6.241   9.236   5.811
  151    HA   LEU  22           HA       LEU  22   8.179  10.792   4.647
  152   1HB   LEU  22          2HB       LEU  22   7.623   7.869   4.820
  153   2HB   LEU  22          3HB       LEU  22   8.876   8.406   3.719
  154    HG   LEU  22           HG       LEU  22   9.591   9.773   5.959
  155   1HD1  LEU  22          1HD1      LEU  22   7.638   8.467   7.096
  156   2HD1  LEU  22          2HD1      LEU  22   8.801   7.119   7.116
  157   3HD1  LEU  22          3HD1      LEU  22   9.197   8.649   7.935
  158   1HD2  LEU  22          1HD2      LEU  22  11.204   7.832   6.343
  159   2HD2  LEU  22          2HD2      LEU  22  10.376   7.025   4.990
  160   3HD2  LEU  22          3HD2      LEU  22  11.199   8.582   4.730
  161    H    ASP  23           HN       ASP  23   7.126   8.099   2.595
  162    HA   ASP  23           HA       ASP  23   5.631   9.476   0.774
  163   1HB   ASP  23          2HB       ASP  23   8.129  10.550   0.649
  164   2HB   ASP  23          3HB       ASP  23   8.368   9.195  -0.437
  165    H    VAL  24           HN       VAL  24   5.747   6.888   1.964
  166    HA   VAL  24           HA       VAL  24   6.794   5.144  -0.134
  167    HB   VAL  24           HB       VAL  24   5.803   4.591   2.670
  168   1HG1  VAL  24          1HG1      VAL  24   6.851   2.754   0.505
  169   2HG1  VAL  24          2HG1      VAL  24   6.904   2.323   2.231
  170   3HG1  VAL  24          3HG1      VAL  24   5.340   2.627   1.437
  171   1HG2  VAL  24          1HG2      VAL  24   7.865   5.075   3.362
  172   2HG2  VAL  24          2HG2      VAL  24   8.544   3.876   2.235
  173   3HG2  VAL  24          3HG2      VAL  24   8.304   5.559   1.707
  174    H    LEU  25           HN       LEU  25   5.329   3.160  -0.607
  175    HA   LEU  25           HA       LEU  25   3.430   2.326  -1.369
  176   1HB   LEU  25          2HB       LEU  25   1.967   4.373   0.299
  177   2HB   LEU  25          3HB       LEU  25   1.322   2.883  -0.362
  178    HG   LEU  25           HG       LEU  25   3.473   2.016   1.169
  179   1HD1  LEU  25          1HD1      LEU  25   2.923   4.614   2.059
  180   2HD1  LEU  25          2HD1      LEU  25   2.157   3.535   3.248
  181   3HD1  LEU  25          3HD1      LEU  25   3.891   3.366   2.880
  182   1HD2  LEU  25          1HD2      LEU  25   0.860   1.397   0.885
  183   2HD2  LEU  25          2HD2      LEU  25   1.910   0.729   2.159
  184   3HD2  LEU  25          3HD2      LEU  25   0.841   2.106   2.517
  185    H    GLU  26           HN       GLU  26   4.399   3.308  -3.377
  186    HA   GLU  26           HA       GLU  26   2.851   5.606  -4.254
  187   1HB   GLU  26          2HB       GLU  26   5.282   4.384  -5.620
  188   2HB   GLU  26          3HB       GLU  26   4.570   5.954  -5.933
  189   1HG   GLU  26          2HG       GLU  26   5.182   5.759  -3.103
  190   2HG   GLU  26          3HG       GLU  26   6.600   5.289  -4.017
  191    H    MET  27           HN       MET  27   3.063   5.231  -7.065
  192    HA   MET  27           HA       MET  27   0.992   3.317  -7.390
  193   1HB   MET  27          2HB       MET  27   2.567   4.987  -9.430
  194   2HB   MET  27          3HB       MET  27   1.081   4.128  -9.782
  195   1HG   MET  27          2HG       MET  27   0.151   6.192  -9.301
  196   2HG   MET  27          3HG       MET  27   0.188   5.559  -7.667
  197   1HE   MET  27          1HE       MET  27   0.108   8.714  -7.887
  198   2HE   MET  27          2HE       MET  27   0.166   7.634  -6.473
  199   3HE   MET  27          3HE       MET  27   1.314   8.988  -6.607
  200    H    VAL  28           HN       VAL  28   1.054   1.310  -8.454
  201    HA   VAL  28           HA       VAL  28   3.642   0.489  -9.532
  202    HB   VAL  28           HB       VAL  28   3.741  -1.472  -8.267
  203   1HG1  VAL  28          1HG1      VAL  28   2.874   0.823  -6.484
  204   2HG1  VAL  28          2HG1      VAL  28   3.601  -0.683  -5.874
  205   3HG1  VAL  28          3HG1      VAL  28   4.528   0.375  -6.964
  206   1HG2  VAL  28          1HG2      VAL  28   1.487  -1.379  -6.510
  207   2HG2  VAL  28          2HG2      VAL  28   0.896  -1.249  -8.184
  208   3HG2  VAL  28          3HG2      VAL  28   1.918  -2.625  -7.705
  209    HA   PRO  29           HA       PRO  29   1.175  -1.392 -12.540
  210   1HB   PRO  29          2HB       PRO  29   2.588  -3.617 -13.261
  211   2HB   PRO  29          3HB       PRO  29   2.993  -2.004 -13.812
  212   1HG   PRO  29          2HG       PRO  29   4.344  -3.659 -11.769
  213   2HG   PRO  29          3HG       PRO  29   4.956  -2.260 -12.629
  214   1HD   PRO  29          2HD       PRO  29   4.015  -2.334  -9.919
  215   2HD   PRO  29          3HD       PRO  29   4.517  -0.914 -10.815
  216    H    TRP  30           HN       TRP  30  -0.821  -2.157 -12.324
  217    HA   TRP  30           HA       TRP  30  -0.977  -4.746 -10.947
  218   1HB   TRP  30          2HB       TRP  30  -1.610  -3.084  -9.327
  219   2HB   TRP  30          3HB       TRP  30  -2.700  -2.313 -10.461
  220    HD1  TRP  30           HD1      TRP  30  -5.121  -2.847  -9.650
  221    HE1  TRP  30           HE1      TRP  30  -6.514  -4.922  -8.801
  222    HE3  TRP  30           HE3      TRP  30  -1.231  -6.121  -9.646
  223    HZ2  TRP  30           HZ2      TRP  30  -5.847  -7.638  -8.238
  224    HZ3  TRP  30           HZ3      TRP  30  -1.687  -8.466  -8.934
  225    HH2  TRP  30           HH2      TRP  30  -3.900  -9.242  -8.245
  226    H    ASP  31           HN       ASP  31  -4.010  -3.360 -11.648
  227    HA   ASP  31           HA       ASP  31  -4.294  -3.481 -14.316
  228   1HB   ASP  31          2HB       ASP  31  -3.594  -6.046 -13.495
  229   2HB   ASP  31          3HB       ASP  31  -5.344  -6.142 -13.501
  230    H    GLY  32           HN       GLY  32  -5.703  -5.103 -11.369
  231   1HA   GLY  32          1HA       GLY  32  -8.391  -4.775 -11.933
  232   2HA   GLY  32          2HA       GLY  32  -7.683  -4.879 -10.333
  233    H    CYS  33           HN       CYS  33  -5.981  -2.345 -11.303
  234    HA   CYS  33           HA       CYS  33  -7.785  -0.489 -10.097
  235   1HB   CYS  33          2HB       CYS  33  -4.925  -0.640 -10.645
  236   2HB   CYS  33          3HB       CYS  33  -5.571   0.936 -11.056
  237    HG   CYS  33           HG       CYS  33  -5.367   1.705  -8.822
  238    H    LYS  34           HN       LYS  34  -8.387   1.601 -11.174
  239    HA   LYS  34           HA       LYS  34  -9.519   1.171 -13.676
  240   1HB   LYS  34          2HB       LYS  34  -9.585   3.138 -11.655
  241   2HB   LYS  34          3HB       LYS  34  -9.110   3.980 -13.116
  242   1HG   LYS  34          2HG       LYS  34 -11.368   1.987 -13.305
  243   2HG   LYS  34          3HG       LYS  34 -11.694   3.525 -12.532
  244   1HD   LYS  34          2HD       LYS  34 -10.187   3.752 -15.087
  245   2HD   LYS  34          3HD       LYS  34 -11.792   3.071 -15.265
  246   1HE   LYS  34          2HE       LYS  34 -12.678   5.046 -13.885
  247   2HE   LYS  34          3HE       LYS  34 -11.076   5.750 -13.987
  248   1HZ   LYS  34          1HZ       LYS  34 -11.867   6.602 -15.864
  249   2HZ   LYS  34          2HZ       LYS  34 -11.571   5.139 -16.529
  250   3HZ   LYS  34          3HZ       LYS  34 -13.075   5.513 -16.014
  251    H    ALA  35           HN       ALA  35  -6.297   2.217 -12.686
  252    HA   ALA  35           HA       ALA  35  -5.689   2.771 -15.509
  253   1HB   ALA  35          1HB       ALA  35  -3.585   3.799 -14.095
  254   2HB   ALA  35          2HB       ALA  35  -5.020   4.735 -14.576
  255   3HB   ALA  35          3HB       ALA  35  -4.918   4.041 -12.940
  256    H    GLY  36           HN       GLY  36  -5.855   0.181 -13.738
  257   1HA   GLY  36          1HA       GLY  36  -4.715  -1.746 -13.553
  258   2HA   GLY  36          2HA       GLY  36  -3.845  -1.254 -14.993
  259    H    GLN  37           HN       GLN  37  -3.880   0.440 -11.806
  260    HA   GLN  37           HA       GLN  37  -1.219  -0.540 -11.294
  261   1HB   GLN  37          2HB       GLN  37  -0.372   1.808 -10.902
  262   2HB   GLN  37          3HB       GLN  37  -0.696   1.433 -12.583
  263   1HG   GLN  37          2HG       GLN  37  -2.074   3.229 -12.675
  264   2HG   GLN  37          3HG       GLN  37  -3.160   2.411 -11.568
  265   1HE2  GLN  37          1HE2      GLN  37  -3.418   3.136  -9.564
  266   2HE2  GLN  37          2HE2      GLN  37  -2.539   4.432  -8.825
  267    H    ILE  38           HN       ILE  38  -1.104  -1.101  -9.161
  268    HA   ILE  38           HA       ILE  38  -3.142   0.023  -7.398
  269    HB   ILE  38           HB       ILE  38  -2.638  -2.512  -7.833
  270   1HG1  ILE  38          2HG1      ILE  38  -2.969  -2.342  -4.987
  271   2HG1  ILE  38          3HG1      ILE  38  -3.821  -1.002  -5.728
  272   1HG2  ILE  38          1HG2      ILE  38  -1.153  -3.360  -5.929
  273   2HG2  ILE  38          2HG2      ILE  38  -0.347  -2.678  -7.362
  274   3HG2  ILE  38          3HG2      ILE  38  -0.487  -1.710  -5.875
  275   1HD1  ILE  38          1HD1      ILE  38  -4.857  -2.676  -7.359
  276   2HD1  ILE  38          2HD1      ILE  38  -4.147  -3.966  -6.360
  277   3HD1  ILE  38          3HD1      ILE  38  -5.358  -2.865  -5.662
  278    H    ALA  39           HN       ALA  39  -2.601   0.972  -5.372
  279    HA   ALA  39           HA       ALA  39  -0.035   2.288  -5.437
  280   1HB   ALA  39          1HB       ALA  39  -1.902   3.664  -4.889
  281   2HB   ALA  39          2HB       ALA  39  -2.524   2.483  -3.711
  282   3HB   ALA  39          3HB       ALA  39  -1.040   3.399  -3.354
  283    H    SER  40           HN       SER  40   1.730   1.217  -4.698
  284    HA   SER  40           HA       SER  40   1.531   0.054  -2.083
  285   1HB   SER  40          2HB       SER  40   1.753  -1.561  -4.556
  286   2HB   SER  40          3HB       SER  40   3.000  -1.922  -3.379
  287    HG   SER  40           HG       SER  40   1.501  -2.618  -1.913
  288    H    SER  41           HN       SER  41   4.022  -1.081  -1.800
  289    HA   SER  41           HA       SER  41   5.681   1.227  -2.123
  290   1HB   SER  41          2HB       SER  41   6.380  -1.468  -0.882
  291   2HB   SER  41          3HB       SER  41   7.252   0.036  -0.667
  292    HG   SER  41           HG       SER  41   5.421   0.924   0.440
  293    HA   PRO  42           HA       PRO  42   7.655  -0.393  -5.667
  294   1HB   PRO  42          2HB       PRO  42   9.681   1.426  -5.900
  295   2HB   PRO  42          3HB       PRO  42   8.058   1.718  -6.493
  296   1HG   PRO  42          2HG       PRO  42   9.379   2.818  -4.089
  297   2HG   PRO  42          3HG       PRO  42   7.953   3.404  -4.922
  298   1HD   PRO  42          2HD       PRO  42   8.018   1.932  -2.461
  299   2HD   PRO  42          3HD       PRO  42   6.591   2.417  -3.355
  300    H    ARG  43           HN       ARG  43   9.982   0.678  -3.224
  301    HA   ARG  43           HA       ARG  43  11.007  -2.008  -3.253
  302   1HB   ARG  43          2HB       ARG  43  12.782   0.431  -3.772
  303   2HB   ARG  43          3HB       ARG  43  13.373  -1.199  -3.518
  304   1HG   ARG  43          2HG       ARG  43  12.152  -1.982  -5.537
  305   2HG   ARG  43          3HG       ARG  43  11.481  -0.382  -5.774
  306   1HD   ARG  43          2HD       ARG  43  13.871   0.509  -5.957
  307   2HD   ARG  43          3HD       ARG  43  14.435  -1.150  -5.914
  308    HE   ARG  43           HE       ARG  43  13.021   0.168  -8.139
  309   1HH1  ARG  43          1HH1      ARG  43  13.311  -2.656 -10.167
  310   2HH1  ARG  43          2HH1      ARG  43  12.901  -0.974 -10.114
  311   1HH2  ARG  43          1HH2      ARG  43  13.982  -3.749  -8.233
  312   2HH2  ARG  43          2HH2      ARG  43  14.073  -2.882  -6.735
  313    H    THR  44           HN       THR  44   9.630   0.242  -1.509
  314    HA   THR  44           HA       THR  44   9.872   1.200   0.523
  315    HB   THR  44           HB       THR  44  10.843  -1.643   1.124
  316    HG1  THR  44           1HG      THR  44   8.701  -2.161   0.685
  317   1HG2  THR  44          1HG2      THR  44   8.887   0.073   2.708
  318   2HG2  THR  44          2HG2      THR  44   9.774  -1.375   3.246
  319   3HG2  THR  44          3HG2      THR  44  10.636   0.167   3.021
  320    H    GLU  45           HN       GLU  45  12.275   1.472  -1.241
  321    HA   GLU  45           HA       GLU  45  14.558   1.068   0.269
  322   1HB   GLU  45          2HB       GLU  45  15.622   2.654  -1.312
  323   2HB   GLU  45          3HB       GLU  45  14.606   1.499  -2.153
  324   1HG   GLU  45          2HG       GLU  45  12.876   3.106  -2.530
  325   2HG   GLU  45          3HG       GLU  45  13.485   4.189  -1.294
  326    H    ASP  46           HN       ASP  46  12.060   3.579   0.343
  327    HA   ASP  46           HA       ASP  46  13.697   5.018   2.278
  328   1HB   ASP  46          2HB       ASP  46  11.877   5.863   0.109
  329   2HB   ASP  46          3HB       ASP  46  11.492   6.638   1.632
  330    H    CYS  47           HN       CYS  47  13.010   3.663   4.090
  331    HA   CYS  47           HA       CYS  47  10.859   4.484   5.506
  332   1HB   CYS  47          2HB       CYS  47   9.185   3.717   4.095
  333   2HB   CYS  47          3HB       CYS  47  10.089   2.302   3.594
  334    H    VAL  48           HN       VAL  48  10.705   3.248   7.537
  335    HA   VAL  48           HA       VAL  48  12.474   0.945   7.732
  336    HB   VAL  48           HB       VAL  48  13.576   1.919   9.717
  337   1HG1  VAL  48          1HG1      VAL  48  13.903   3.287   7.038
  338   2HG1  VAL  48          2HG1      VAL  48  14.996   3.597   8.409
  339   3HG1  VAL  48          3HG1      VAL  48  14.860   1.956   7.731
  340   1HG2  VAL  48          1HG2      VAL  48  12.218   3.598  10.561
  341   2HG2  VAL  48          2HG2      VAL  48  13.489   4.537   9.741
  342   3HG2  VAL  48          3HG2      VAL  48  11.909   4.305   8.957
  343    H    GLY  49           HN       GLY  49  10.234   3.251   9.404
  344   1HA   GLY  49          1HA       GLY  49   8.167   1.767  10.025
  345   2HA   GLY  49          2HA       GLY  49   9.326   1.077  11.143
  346    H    CYS  50           HN       CYS  50   7.946   4.250  10.062
  347    HA   CYS  50           HA       CYS  50   8.814   5.546  12.445
  348   1HB   CYS  50          2HB       CYS  50   7.642   7.495  11.580
  349   2HB   CYS  50          3HB       CYS  50   8.617   6.767  10.318
  350    H    LYS  51           HN       LYS  51   5.976   3.774  11.255
  351    HA   LYS  51           HA       LYS  51   4.356   2.838  12.506
  352   1HB   LYS  51          2HB       LYS  51   5.966   3.624  14.536
  353   2HB   LYS  51          3HB       LYS  51   4.588   4.662  14.840
  354   1HG   LYS  51          2HG       LYS  51   3.423   2.166  14.244
  355   2HG   LYS  51          3HG       LYS  51   4.839   1.748  15.186
  356   1HD   LYS  51          2HD       LYS  51   4.041   3.656  16.817
  357   2HD   LYS  51          3HD       LYS  51   2.503   3.514  15.989
  358   1HE   LYS  51          2HE       LYS  51   3.176   0.844  16.511
  359   2HE   LYS  51          3HE       LYS  51   3.763   1.677  17.936
  360   1HZ   LYS  51          1HZ       LYS  51   1.700   2.043  18.593
  361   2HZ   LYS  51          2HZ       LYS  51   1.206   2.601  17.141
  362   3HZ   LYS  51          3HZ       LYS  51   1.198   0.996  17.444
  363    H    ARG  52           HN       ARG  52   3.728   4.365  10.482
  364    HA   ARG  52           HA       ARG  52   1.462   5.799  11.484
  365   1HB   ARG  52          2HB       ARG  52   3.842   7.140  10.346
  366   2HB   ARG  52          3HB       ARG  52   2.374   7.556   9.485
  367   1HG   ARG  52          2HG       ARG  52   1.678   8.891  11.183
  368   2HG   ARG  52          3HG       ARG  52   1.837   7.586  12.342
  369   1HD   ARG  52          2HD       ARG  52   4.490   8.529  11.596
  370   2HD   ARG  52          3HD       ARG  52   3.506   9.897  12.077
  371    HE   ARG  52           HE       ARG  52   2.997   7.947  14.020
  372   1HH1  ARG  52          1HH1      ARG  52   5.720   8.473  16.137
  373   2HH1  ARG  52          2HH1      ARG  52   4.126   7.810  16.002
  374   1HH2  ARG  52          1HH2      ARG  52   6.710   9.500  14.306
  375   2HH2  ARG  52          2HH2      ARG  52   5.853   9.604  12.804
  376    H    CYS  53           HN       CYS  53   1.440   3.345  10.219
  377    HA   CYS  53           HA       CYS  53   0.138   4.024   7.738
  378   1HB   CYS  53          2HB       CYS  53   1.383   2.103   6.567
  379   2HB   CYS  53          3HB       CYS  53   2.212   3.638   6.729
  380    H    GLU  54           HN       GLU  54  -0.712   3.199  10.411
  381    HA   GLU  54           HA       GLU  54  -1.262   0.387  10.134
  382   1HB   GLU  54          2HB       GLU  54  -1.086   2.295  12.320
  383   2HB   GLU  54          3HB       GLU  54  -2.625   1.460  12.395
  384   1HG   GLU  54          2HG       GLU  54  -0.244  -0.262  11.818
  385   2HG   GLU  54          3HG       GLU  54  -0.297   0.446  13.420
  386    H    THR  55           HN       THR  55  -2.431   1.608   8.011
  387    HA   THR  55           HA       THR  55  -5.267   1.433   8.700
  388    HB   THR  55           HB       THR  55  -4.422   3.883   8.664
  389    HG1  THR  55           1HG      THR  55  -6.416   4.354   7.605
  390   1HG2  THR  55          1HG2      THR  55  -3.563   2.974   6.003
  391   2HG2  THR  55          2HG2      THR  55  -4.730   4.313   5.883
  392   3HG2  THR  55          3HG2      THR  55  -3.229   4.521   6.817
  393    H    ALA  56           HN       ALA  56  -3.230  -0.377   7.467
  394    HA   ALA  56           HA       ALA  56  -3.328  -0.456   4.745
  395   1HB   ALA  56          1HB       ALA  56  -2.556  -2.633   4.979
  396   2HB   ALA  56          2HB       ALA  56  -2.224  -1.992   6.606
  397   3HB   ALA  56          3HB       ALA  56  -3.666  -2.996   6.323
  398    H    CYS  57           HN       CYS  57  -4.602  -2.374   3.520
  399    HA   CYS  57           HA       CYS  57  -7.292  -1.522   3.542
  400   1HB   CYS  57          2HB       CYS  57  -5.567  -2.985   1.793
  401   2HB   CYS  57          3HB       CYS  57  -6.995  -3.963   2.067
  402    HA   PRO  58           HA       PRO  58  -9.070  -4.666   5.997
  403   1HB   PRO  58          2HB       PRO  58 -11.198  -5.653   4.596
  404   2HB   PRO  58          3HB       PRO  58 -11.237  -4.120   5.444
  405   1HG   PRO  58          2HG       PRO  58 -11.024  -4.627   2.539
  406   2HG   PRO  58          3HG       PRO  58 -11.486  -3.152   3.366
  407   1HD   PRO  58          2HD       PRO  58  -8.953  -3.711   2.139
  408   2HD   PRO  58          3HD       PRO  58  -9.378  -2.284   3.065
  409    H    THR  59           HN       THR  59  -9.629  -6.971   6.451
  410    HA   THR  59           HA       THR  59  -7.539  -8.555   5.431
  411    HB   THR  59           HB       THR  59 -10.110  -9.180   6.974
  412    HG1  THR  59           1HG      THR  59  -8.635  -7.891   8.164
  413   1HG2  THR  59          1HG2      THR  59  -9.528 -11.386   6.881
  414   2HG2  THR  59          2HG2      THR  59  -8.167 -10.993   5.803
  415   3HG2  THR  59          3HG2      THR  59  -7.940 -10.969   7.569
  416    H    ASP  60           HN       ASP  60 -10.478  -7.574   3.989
  417    HA   ASP  60           HA       ASP  60 -11.426  -9.727   2.728
  418   1HB   ASP  60          2HB       ASP  60 -11.364  -6.862   2.279
  419   2HB   ASP  60          3HB       ASP  60 -11.192  -7.667   0.732
  420    H    PHE  61           HN       PHE  61  -8.289  -8.156   2.339
  421    HA   PHE  61           HA       PHE  61  -7.680 -10.016   0.154
  422   1HB   PHE  61          2HB       PHE  61  -7.595  -7.080   0.345
  423   2HB   PHE  61          3HB       PHE  61  -5.973  -7.691   0.090
  424    HD1  PHE  61           1HD      PHE  61  -5.976  -9.696  -1.787
  425    HD2  PHE  61           2HD      PHE  61  -8.705  -6.454  -1.564
  426    HE1  PHE  61           1HE      PHE  61  -6.447  -9.922  -4.242
  427    HE2  PHE  61           2HE      PHE  61  -9.176  -6.680  -4.019
  428    HZ   PHE  61           HZ       PHE  61  -8.040  -8.411  -5.329
  429    H    LEU  62           HN       LEU  62  -5.760  -7.604   2.058
  430    HA   LEU  62           HA       LEU  62  -3.562  -9.252   2.338
  431   1HB   LEU  62          2HB       LEU  62  -2.876  -7.682   4.101
  432   2HB   LEU  62          3HB       LEU  62  -3.386  -6.902   2.618
  433    HG   LEU  62           HG       LEU  62  -5.620  -7.141   4.450
  434   1HD1  LEU  62          1HD1      LEU  62  -3.415  -5.400   5.534
  435   2HD1  LEU  62          2HD1      LEU  62  -4.921  -5.938   6.317
  436   3HD1  LEU  62          3HD1      LEU  62  -3.597  -7.095   6.048
  437   1HD2  LEU  62          1HD2      LEU  62  -4.428  -5.238   2.610
  438   2HD2  LEU  62          2HD2      LEU  62  -6.118  -5.418   3.138
  439   3HD2  LEU  62          3HD2      LEU  62  -4.981  -4.450   4.107
  440    H    SER  63           HN       SER  63  -3.284 -11.133   3.398
  441    HA   SER  63           HA       SER  63  -3.991 -11.456   6.039
  442   1HB   SER  63          2HB       SER  63  -6.324 -11.552   5.140
  443   2HB   SER  63          3HB       SER  63  -5.870 -12.902   4.118
  444    HG   SER  63           HG       SER  63  -5.096 -13.776   6.422
  445    H    ILE  64           HN       ILE  64  -1.685 -11.836   4.486
  446    HA   ILE  64           HA       ILE  64  -1.456 -14.765   4.514
  447    HB   ILE  64           HB       ILE  64  -0.283 -12.781   2.569
  448   1HG1  ILE  64          2HG1      ILE  64  -1.592 -15.142   1.487
  449   2HG1  ILE  64          3HG1      ILE  64  -2.674 -14.243   2.532
  450   1HG2  ILE  64          1HG2      ILE  64   0.325 -15.742   2.747
  451   2HG2  ILE  64          2HG2      ILE  64   0.990 -14.566   1.588
  452   3HG2  ILE  64          3HG2      ILE  64   1.408 -14.449   3.315
  453   1HD1  ILE  64          1HD1      ILE  64  -2.678 -12.370   1.167
  454   2HD1  ILE  64          2HD1      ILE  64  -1.008 -12.640   0.613
  455   3HD1  ILE  64          3HD1      ILE  64  -2.339 -13.608  -0.067
  456    H    ARG  65           HN       ARG  65   0.778 -11.912   4.260
  457    HA   ARG  65           HA       ARG  65   2.409 -13.191   6.248
  458   1HB   ARG  65          2HB       ARG  65   2.757 -10.959   4.253
  459   2HB   ARG  65          3HB       ARG  65   3.771 -10.905   5.681
  460   1HG   ARG  65          2HG       ARG  65   5.144 -12.272   4.450
  461   2HG   ARG  65          3HG       ARG  65   4.077 -13.539   5.022
  462   1HD   ARG  65          2HD       ARG  65   2.622 -12.906   2.890
  463   2HD   ARG  65          3HD       ARG  65   4.107 -12.175   2.315
  464    HE   ARG  65           HE       ARG  65   3.578 -15.042   2.630
  465   1HH1  ARG  65          1HH1      ARG  65   6.773 -15.931   1.546
  466   2HH1  ARG  65          2HH1      ARG  65   5.177 -16.502   1.899
  467   1HH2  ARG  65          1HH2      ARG  65   7.288 -13.684   1.816
  468   2HH2  ARG  65          2HH2      ARG  65   6.075 -12.578   2.370
  469    H    VAL  66           HN       VAL  66   3.320 -11.818   8.095
  470    HA   VAL  66           HA       VAL  66   1.411  -9.743   8.910
  471    HB   VAL  66           HB       VAL  66   0.839 -11.799  10.052
  472   1HG1  VAL  66          1HG1      VAL  66   2.331 -13.315  10.730
  473   2HG1  VAL  66          2HG1      VAL  66   3.605 -12.302  10.009
  474   3HG1  VAL  66          3HG1      VAL  66   3.183 -12.112  11.728
  475   1HG2  VAL  66          1HG2      VAL  66   0.900 -11.006  12.324
  476   2HG2  VAL  66          2HG2      VAL  66   2.305  -9.969  11.979
  477   3HG2  VAL  66          3HG2      VAL  66   0.724  -9.598  11.249
  478    H    TYR  67           HN       TYR  67   2.439  -7.841   9.213
  479    HA   TYR  67           HA       TYR  67   5.315  -7.973   9.806
  480   1HB   TYR  67          2HB       TYR  67   3.445  -6.369   8.096
  481   2HB   TYR  67          3HB       TYR  67   4.568  -5.369   8.996
  482    HD1  TYR  67           HD1      TYR  67   4.113  -6.635   5.896
  483    HD2  TYR  67           HD2      TYR  67   7.091  -6.684   8.969
  484    HE1  TYR  67           HE1      TYR  67   5.913  -7.078   4.156
  485    HE2  TYR  67           HE2      TYR  67   8.880  -7.128   7.218
  486    HH   TYR  67           HH       TYR  67   9.098  -7.998   5.051
  487    H    LEU  68           HN       LEU  68   2.648  -5.537  10.218
  488    HA   LEU  68           HA       LEU  68   3.644  -4.184  12.307
  489   1HB   LEU  68          2HB       LEU  68   1.002  -4.723  11.204
  490   2HB   LEU  68          3HB       LEU  68   0.945  -4.391  12.924
  491    HG   LEU  68           HG       LEU  68   0.598  -2.342  11.746
  492   1HD1  LEU  68          1HD1      LEU  68   2.120  -2.408  13.801
  493   2HD1  LEU  68          2HD1      LEU  68   3.465  -2.157  12.663
  494   3HD1  LEU  68          3HD1      LEU  68   2.167  -0.946  12.788
  495   1HD2  LEU  68          1HD2      LEU  68   1.633  -3.061   9.604
  496   2HD2  LEU  68          2HD2      LEU  68   2.093  -1.416  10.105
  497   3HD2  LEU  68          3HD2      LEU  68   3.235  -2.765  10.319
  498    H    GLY  69           HN       GLY  69   4.343  -4.643  14.321
  499   1HA   GLY  69          1HA       GLY  69   4.580  -5.685  16.299
  500   2HA   GLY  69          2HA       GLY  69   2.962  -6.328  16.104
  501    H    ALA  70           HN       ALA  70   6.183  -6.777  14.459
  502    HA   ALA  70           HA       ALA  70   6.132  -9.574  15.172
  503   1HB   ALA  70          1HB       ALA  70   6.168  -8.723  12.251
  504   2HB   ALA  70          2HB       ALA  70   6.222 -10.384  12.885
  505   3HB   ALA  70          3HB       ALA  70   4.748  -9.405  13.082
  506    H    GLU  71           HN       GLU  71   7.680  -7.196  12.890
  507    HA   GLU  71           HA       GLU  71  10.153  -8.242  12.878
  508   1HB   GLU  71          2HB       GLU  71  10.942  -5.839  12.509
  509   2HB   GLU  71          3HB       GLU  71   9.659  -6.389  11.450
  510   1HG   GLU  71          2HG       GLU  71   8.818  -5.086  14.025
  511   2HG   GLU  71          3HG       GLU  71   9.536  -4.042  12.814
  512    H    THR  72           HN       THR  72   8.581  -6.361  15.470
  513    HA   THR  72           HA       THR  72   9.367  -5.595  17.441
  514    HB   THR  72           HB       THR  72  10.204  -7.543  18.825
  515    HG1  THR  72           1HG      THR  72  10.392  -9.552  17.435
  516   1HG2  THR  72          1HG2      THR  72   7.747  -7.463  17.293
  517   2HG2  THR  72          2HG2      THR  72   8.338  -9.142  17.314
  518   3HG2  THR  72          3HG2      THR  72   8.044  -8.284  18.844
  519    H    THR  73           HN       THR  73  11.013  -4.649  15.365
  520    HA   THR  73           HA       THR  73  13.740  -5.184  15.857
  521    HB   THR  73           HB       THR  73  12.742  -4.214  13.748
  522    HG1  THR  73           1HG      THR  73  14.829  -3.488  13.692
  523   1HG2  THR  73          1HG2      THR  73  12.247  -1.893  15.653
  524   2HG2  THR  73          2HG2      THR  73  12.583  -1.588  13.932
  525   3HG2  THR  73          3HG2      THR  73  11.162  -2.551  14.405
  526    H    ARG  74           HN       ARG  74  11.405  -3.660  17.805
  527    HA   ARG  74           HA       ARG  74  13.430  -1.968  19.000
  528   1HB   ARG  74          2HB       ARG  74  11.561  -0.867  20.172
  529   2HB   ARG  74          3HB       ARG  74  11.204  -0.948  18.459
  530   1HG   ARG  74          2HG       ARG  74  10.277  -3.312  20.017
  531   2HG   ARG  74          3HG       ARG  74   9.501  -1.806  20.462
  532   1HD   ARG  74          2HD       ARG  74   9.415  -1.609  17.715
  533   2HD   ARG  74          3HD       ARG  74   9.322  -3.349  17.909
  534    HE   ARG  74           HE       ARG  74   7.469  -2.558  19.730
  535   1HH1  ARG  74          1HH1      ARG  74   4.783  -1.407  17.822
  536   2HH1  ARG  74          2HH1      ARG  74   5.276  -2.035  19.360
  537   1HH2  ARG  74          1HH2      ARG  74   6.350  -1.098  16.138
  538   2HH2  ARG  74          2HH2      ARG  74   8.013  -1.494  16.419
  539    H    SER  75           HN       SER  75  11.864  -5.027  19.309
  540    HA   SER  75           HA       SER  75  12.651  -5.128  22.117
  541   1HB   SER  75          2HB       SER  75  10.120  -5.425  21.352
  542   2HB   SER  75          3HB       SER  75  10.638  -7.045  20.930
  543    HG   SER  75           HG       SER  75  10.029  -6.046  23.389
  544    H    MET  76           HN       MET  76  13.653  -5.906  19.082
  545    HA   MET  76           HA       MET  76  15.047  -8.237  20.082
  546   1HB   MET  76          2HB       MET  76  12.928  -8.278  18.097
  547   2HB   MET  76          3HB       MET  76  14.431  -8.648  17.274
  548   1HG   MET  76          2HG       MET  76  14.415 -10.108  19.767
  549   2HG   MET  76          3HG       MET  76  12.865 -10.365  18.989
  550   1HE   MET  76          1HE       MET  76  13.982 -10.767  15.416
  551   2HE   MET  76          2HE       MET  76  13.074 -12.117  16.140
  552   3HE   MET  76          3HE       MET  76  12.678 -10.440  16.583
  553    H    GLY  77           HN       GLY  77  14.634  -5.716  17.539
  554   1HA   GLY  77          1HA       GLY  77  17.311  -6.085  16.519
  555   2HA   GLY  77          2HA       GLY  77  16.134  -4.878  16.041
  556    H    LEU  78           HN       LEU  78  17.476  -5.670  19.319
  557    HA   LEU  78           HA       LEU  78  18.347  -2.870  19.466
  558   1HB   LEU  78          2HB       LEU  78  17.945  -4.559  21.890
  559   2HB   LEU  78          3HB       LEU  78  17.808  -2.823  21.694
  560    HG   LEU  78           HG       LEU  78  15.811  -4.960  20.957
  561   1HD1  LEU  78          1HD1      LEU  78  16.094  -3.602  23.260
  562   2HD1  LEU  78          2HD1      LEU  78  15.054  -2.464  22.371
  563   3HD1  LEU  78          3HD1      LEU  78  14.522  -4.143  22.624
  564   1HD2  LEU  78          1HD2      LEU  78  14.946  -2.262  20.295
  565   2HD2  LEU  78          2HD2      LEU  78  16.341  -2.778  19.317
  566   3HD2  LEU  78          3HD2      LEU  78  14.858  -3.763  19.342
  567    H    ALA  79           HN       ALA  79  19.172  -6.226  20.589
  568    HA   ALA  79           HA       ALA  79  21.984  -5.481  20.208
  569   1HB   ALA  79          1HB       ALA  79  21.982  -7.329  22.286
  570   2HB   ALA  79          2HB       ALA  79  22.198  -5.570  22.454
  571   3HB   ALA  79          3HB       ALA  79  20.584  -6.292  22.660
  572    H    TYR  80           HN       TYR  80  19.475  -8.062  20.511
  573    HA   TYR  80           HA       TYR  80  20.944 -10.239  19.776
  574   1HB   TYR  80          2HB       TYR  80  18.147  -9.389  18.799
  575   2HB   TYR  80          3HB       TYR  80  18.698 -11.044  18.970
  576    HD1  TYR  80           HD1      TYR  80  17.381  -8.115  20.706
  577    HD2  TYR  80           HD2      TYR  80  18.993 -12.044  21.227
  578    HE1  TYR  80           HE1      TYR  80  16.487  -8.173  23.085
  579    HE2  TYR  80           HE2      TYR  80  18.092 -12.089  23.605
  580    HH   TYR  80           HH       TYR  80  16.478  -9.247  24.976
  Start of MODEL   19
    1    H    SER   1           HN       SER   1  -5.046  -3.971   9.752
    2    HA   SER   1           HA       SER   1  -4.803  -2.857  12.383
    3   1HB   SER   1          2HB       SER   1  -4.056  -5.189  12.981
    4   2HB   SER   1          3HB       SER   1  -5.640  -5.123  12.234
    5    HG   SER   1           HG       SER   1  -3.386  -6.438  11.384
    6    H    HIS   2           HN       HIS   2  -2.584  -4.704  10.153
    7    HA   HIS   2           HA       HIS   2  -0.537  -2.768  10.458
    8   1HB   HIS   2          2HB       HIS   2  -0.575  -5.114  12.255
    9   2HB   HIS   2          3HB       HIS   2   0.942  -4.858  11.418
   10    HD1  HIS   2           HD1      HIS   2   1.003  -1.726  11.436
   11    HD2  HIS   2           HD2      HIS   2   0.053  -4.125  14.745
   12    HE1  HIS   2           HE1      HIS   2   1.476  -0.310  13.506
   13    H    SER   3           HN       SER   3   1.690  -4.263   9.705
   14    HA   SER   3           HA       SER   3   2.645  -5.154   7.974
   15   1HB   SER   3          2HB       SER   3   1.805  -7.209   7.056
   16   2HB   SER   3          3HB       SER   3   1.304  -7.177   8.735
   17    HG   SER   3           HG       SER   3  -0.286  -6.704   6.380
   18    H    VAL   4           HN       VAL   4   2.908  -4.801   5.687
   19    HA   VAL   4           HA       VAL   4   0.610  -3.717   4.270
   20    HB   VAL   4           HB       VAL   4   2.028  -1.802   3.497
   21   1HG1  VAL   4          1HG1      VAL   4   0.346  -1.174   4.977
   22   2HG1  VAL   4          2HG1      VAL   4   1.054  -2.084   6.334
   23   3HG1  VAL   4          3HG1      VAL   4   1.809  -0.568   5.788
   24   1HG2  VAL   4          1HG2      VAL   4   3.799  -2.717   5.786
   25   2HG2  VAL   4          2HG2      VAL   4   4.235  -2.577   4.065
   26   3HG2  VAL   4          3HG2      VAL   4   3.897  -1.113   5.021
   27    H    LYS   5           HN       LYS   5   1.823  -6.275   4.066
   28    HA   LYS   5           HA       LYS   5   3.904  -6.636   2.409
   29   1HB   LYS   5          2HB       LYS   5   1.524  -8.108   3.159
   30   2HB   LYS   5          3HB       LYS   5   1.940  -8.435   1.488
   31   1HG   LYS   5          2HG       LYS   5   4.194  -8.408   3.484
   32   2HG   LYS   5          3HG       LYS   5   3.083  -9.761   3.552
   33   1HD   LYS   5          2HD       LYS   5   3.703  -9.311   0.778
   34   2HD   LYS   5          3HD       LYS   5   5.219  -9.278   1.658
   35   1HE   LYS   5          2HE       LYS   5   4.477 -11.461   2.802
   36   2HE   LYS   5          3HE       LYS   5   3.141 -11.515   1.667
   37   1HZ   LYS   5          1HZ       LYS   5   4.600 -12.549   0.380
   38   2HZ   LYS   5          2HZ       LYS   5   5.246 -11.081   0.076
   39   3HZ   LYS   5          3HZ       LYS   5   5.905 -12.041   1.220
   40    H    ILE   6           HN       ILE   6   4.066  -7.062   0.041
   41    HA   ILE   6           HA       ILE   6   2.764  -4.904  -1.363
   42    HB   ILE   6           HB       ILE   6   4.722  -6.897  -2.481
   43   1HG1  ILE   6          2HG1      ILE   6   5.713  -6.109  -0.423
   44   2HG1  ILE   6          3HG1      ILE   6   6.531  -5.378  -1.789
   45   1HG2  ILE   6          1HG2      ILE   6   4.870  -4.078  -3.274
   46   2HG2  ILE   6          2HG2      ILE   6   4.848  -5.557  -4.265
   47   3HG2  ILE   6          3HG2      ILE   6   3.320  -4.858  -3.676
   48   1HD1  ILE   6          1HD1      ILE   6   5.384  -3.272  -1.476
   49   2HD1  ILE   6          2HD1      ILE   6   4.257  -3.993  -0.304
   50   3HD1  ILE   6          3HD1      ILE   6   5.972  -3.784   0.124
   51    H    TYR   7           HN       TYR   7   0.588  -5.448  -1.598
   52    HA   TYR   7           HA       TYR   7   0.133  -7.798  -3.306
   53   1HB   TYR   7          2HB       TYR   7  -1.189  -6.713  -0.774
   54   2HB   TYR   7          3HB       TYR   7  -2.191  -7.578  -1.923
   55    HD1  TYR   7           HD1      TYR   7   1.181  -8.051  -0.321
   56    HD2  TYR   7           HD2      TYR   7  -2.556  -9.809  -1.439
   57    HE1  TYR   7           HE1      TYR   7   1.907 -10.263   0.700
   58    HE2  TYR   7           HE2      TYR   7  -1.817 -12.016  -0.414
   59    HH   TYR   7           HH       TYR   7  -0.246 -13.092   0.593
   60    H    ASP   8           HN       ASP   8  -1.959  -7.641  -4.559
   61    HA   ASP   8           HA       ASP   8  -2.140  -4.958  -5.567
   62   1HB   ASP   8          2HB       ASP   8  -3.791  -6.210  -7.199
   63   2HB   ASP   8          3HB       ASP   8  -2.066  -6.476  -7.346
   64    H    THR   9           HN       THR   9  -3.216  -5.541  -2.870
   65    HA   THR   9           HA       THR   9  -6.099  -5.679  -3.233
   66    HB   THR   9           HB       THR   9  -4.940  -6.979  -1.429
   67    HG1  THR   9           1HG      THR   9  -6.440  -4.637  -0.492
   68   1HG2  THR   9          1HG2      THR   9  -3.493  -4.553  -1.032
   69   2HG2  THR   9          2HG2      THR   9  -4.573  -4.708   0.374
   70   3HG2  THR   9          3HG2      THR   9  -3.427  -6.012  -0.014
   71    H    CYS  10           HN       CYS  10  -6.819  -3.823  -4.207
   72    HA   CYS  10           HA       CYS  10  -6.769  -1.513  -2.503
   73   1HB   CYS  10          2HB       CYS  10  -4.677  -1.417  -4.035
   74   2HB   CYS  10          3HB       CYS  10  -5.806  -1.087  -5.333
   75    H    ILE  11           HN       ILE  11  -8.742  -0.430  -2.724
   76    HA   ILE  11           HA       ILE  11 -10.428  -1.351  -4.947
   77    HB   ILE  11           HB       ILE  11 -12.331  -0.967  -3.493
   78   1HG1  ILE  11          2HG1      ILE  11 -11.535  -0.739  -0.928
   79   2HG1  ILE  11          3HG1      ILE  11 -10.262   0.192  -1.693
   80   1HG2  ILE  11          1HG2      ILE  11 -10.383  -3.012  -3.228
   81   2HG2  ILE  11          2HG2      ILE  11 -10.996  -2.647  -1.597
   82   3HG2  ILE  11          3HG2      ILE  11 -12.131  -3.091  -2.895
   83   1HD1  ILE  11          1HD1      ILE  11 -11.763   1.784  -2.581
   84   2HD1  ILE  11          2HD1      ILE  11 -13.152   0.676  -2.467
   85   3HD1  ILE  11          3HD1      ILE  11 -12.477   1.412  -0.993
   86    H    GLY  12           HN       GLY  12  -8.871   1.337  -3.333
   87   1HA   GLY  12          1HA       GLY  12  -8.580   3.293  -4.746
   88   2HA   GLY  12          2HA       GLY  12 -10.277   3.184  -5.169
   89    H    CYS  13           HN       CYS  13  -8.606   2.837  -1.963
   90    HA   CYS  13           HA       CYS  13 -10.401   4.930  -0.986
   91   1HB   CYS  13          2HB       CYS  13 -10.664   3.784   0.937
   92   2HB   CYS  13          3HB       CYS  13 -10.135   2.408  -0.012
   93    H    THR  14           HN       THR  14  -9.408   6.450   0.653
   94    HA   THR  14           HA       THR  14  -6.654   7.052  -0.137
   95    HB   THR  14           HB       THR  14  -8.303   8.845  -0.455
   96    HG1  THR  14           1HG      THR  14  -7.256  10.335   1.136
   97   1HG2  THR  14          1HG2      THR  14  -9.228   9.820   1.827
   98   2HG2  THR  14          2HG2      THR  14 -10.107   8.480   1.052
   99   3HG2  THR  14          3HG2      THR  14  -9.014   8.156   2.420
  100    H    GLN  15           HN       GLN  15  -6.490   4.852   1.322
  101    HA   GLN  15           HA       GLN  15  -5.566   5.920   3.861
  102   1HB   GLN  15          2HB       GLN  15  -6.850   4.542   5.130
  103   2HB   GLN  15          3HB       GLN  15  -7.845   4.364   3.698
  104   1HG   GLN  15          2HG       GLN  15  -6.149   2.455   3.038
  105   2HG   GLN  15          3HG       GLN  15  -5.678   2.502   4.725
  106   1HE2  GLN  15          1HE2      GLN  15  -6.651   0.216   3.872
  107   2HE2  GLN  15          2HE2      GLN  15  -8.263  -0.090   4.429
  108    H    CYS  16           HN       CYS  16  -3.684   4.846   4.727
  109    HA   CYS  16           HA       CYS  16  -1.943   3.457   4.729
  110   1HB   CYS  16          2HB       CYS  16  -1.939   1.459   3.665
  111   2HB   CYS  16          3HB       CYS  16  -3.618   1.854   3.357
  112    H    VAL  17           HN       VAL  17  -2.938   4.668   1.452
  113    HA   VAL  17           HA       VAL  17  -0.177   5.409   0.915
  114    HB   VAL  17           HB       VAL  17  -2.690   5.473  -0.766
  115   1HG1  VAL  17          1HG1      VAL  17  -0.074   6.704  -1.160
  116   2HG1  VAL  17          2HG1      VAL  17  -0.477   5.557  -2.461
  117   3HG1  VAL  17          3HG1      VAL  17  -1.582   6.901  -2.087
  118   1HG2  VAL  17          1HG2      VAL  17  -0.876   3.704  -1.903
  119   2HG2  VAL  17          2HG2      VAL  17  -0.721   3.399  -0.156
  120   3HG2  VAL  17          3HG2      VAL  17  -2.312   3.272  -0.945
  121    H    ARG  18           HN       ARG  18  -1.925   6.694   3.050
  122    HA   ARG  18           HA       ARG  18  -1.616   9.385   1.999
  123   1HB   ARG  18          2HB       ARG  18  -4.071   8.100   2.930
  124   2HB   ARG  18          3HB       ARG  18  -3.695   9.467   3.958
  125   1HG   ARG  18          2HG       ARG  18  -5.055  10.286   2.121
  126   2HG   ARG  18          3HG       ARG  18  -3.429  10.899   1.887
  127   1HD   ARG  18          2HD       ARG  18  -3.403   8.410   0.560
  128   2HD   ARG  18          3HD       ARG  18  -4.988   9.060   0.193
  129    HE   ARG  18           HE       ARG  18  -2.791  10.992  -0.122
  130   1HH1  ARG  18          1HH1      ARG  18  -3.103  11.000  -3.597
  131   2HH1  ARG  18          2HH1      ARG  18  -2.389  11.783  -2.228
  132   1HH2  ARG  18          1HH2      ARG  18  -4.469   9.148  -3.294
  133   2HH2  ARG  18          2HH2      ARG  18  -4.773   8.549  -1.696
  134    H    ALA  19           HN       ALA  19  -2.362   7.507   5.038
  135    HA   ALA  19           HA       ALA  19  -1.404   9.297   6.861
  136   1HB   ALA  19          1HB       ALA  19  -1.010   6.296   7.072
  137   2HB   ALA  19          2HB       ALA  19  -1.360   7.461   8.372
  138   3HB   ALA  19          3HB       ALA  19  -2.617   7.055   7.179
  139    H    CYS  20           HN       CYS  20   0.430   6.667   5.157
  140    HA   CYS  20           HA       CYS  20   2.835   6.904   6.288
  141   1HB   CYS  20          2HB       CYS  20   2.297   5.332   4.469
  142   2HB   CYS  20          3HB       CYS  20   2.316   6.643   3.307
  143    HA   PRO  21           HA       PRO  21   3.681  11.169   5.508
  144   1HB   PRO  21          2HB       PRO  21   5.809  11.404   7.206
  145   2HB   PRO  21          3HB       PRO  21   4.146  11.605   7.721
  146   1HG   PRO  21          2HG       PRO  21   5.964   9.321   8.181
  147   2HG   PRO  21          3HG       PRO  21   4.483   9.732   9.022
  148   1HD   PRO  21          2HD       PRO  21   4.823   7.684   7.042
  149   2HD   PRO  21          3HD       PRO  21   3.319   8.172   7.798
  150    H    LEU  22           HN       LEU  22   6.534   9.113   5.917
  151    HA   LEU  22           HA       LEU  22   8.230  10.475   4.317
  152   1HB   LEU  22          2HB       LEU  22   7.902   7.490   4.633
  153   2HB   LEU  22          3HB       LEU  22   9.275   8.247   3.852
  154    HG   LEU  22           HG       LEU  22   9.267   9.577   6.233
  155   1HD1  LEU  22          1HD1      LEU  22   8.945   6.928   7.399
  156   2HD1  LEU  22          2HD1      LEU  22   8.290   8.500   7.918
  157   3HD1  LEU  22          3HD1      LEU  22   7.434   7.541   6.687
  158   1HD2  LEU  22          1HD2      LEU  22  10.811   7.250   6.670
  159   2HD2  LEU  22          2HD2      LEU  22  10.831   7.561   4.917
  160   3HD2  LEU  22          3HD2      LEU  22  11.346   8.831   6.053
  161    H    ASP  23           HN       ASP  23   5.379   8.602   3.367
  162    HA   ASP  23           HA       ASP  23   4.277   8.643   1.477
  163   1HB   ASP  23          2HB       ASP  23   5.819  10.886   1.118
  164   2HB   ASP  23          3HB       ASP  23   6.416   9.899  -0.201
  165    H    VAL  24           HN       VAL  24   5.761   6.419   2.215
  166    HA   VAL  24           HA       VAL  24   7.542   5.624   0.114
  167    HB   VAL  24           HB       VAL  24   6.360   4.230   2.519
  168   1HG1  VAL  24          1HG1      VAL  24   6.906   2.704   0.534
  169   2HG1  VAL  24          2HG1      VAL  24   8.608   3.145   0.810
  170   3HG1  VAL  24          3HG1      VAL  24   7.683   2.322   2.090
  171   1HG2  VAL  24          1HG2      VAL  24   8.629   5.980   2.098
  172   2HG2  VAL  24          2HG2      VAL  24   7.971   5.320   3.614
  173   3HG2  VAL  24          3HG2      VAL  24   9.166   4.386   2.681
  174    H    LEU  25           HN       LEU  25   4.194   4.797   1.216
  175    HA   LEU  25           HA       LEU  25   3.763   2.886  -0.796
  176   1HB   LEU  25          2HB       LEU  25   1.939   4.506   0.971
  177   2HB   LEU  25          3HB       LEU  25   1.326   3.358  -0.203
  178    HG   LEU  25           HG       LEU  25   3.173   1.834   1.151
  179   1HD1  LEU  25          1HD1      LEU  25   1.791   3.515   3.255
  180   2HD1  LEU  25          2HD1      LEU  25   2.965   2.200   3.501
  181   3HD1  LEU  25          3HD1      LEU  25   3.486   3.733   2.758
  182   1HD2  LEU  25          1HD2      LEU  25   1.309   0.628   0.974
  183   2HD2  LEU  25          2HD2      LEU  25   0.811   1.365   2.516
  184   3HD2  LEU  25          3HD2      LEU  25   0.271   2.074   0.974
  185    H    GLU  26           HN       GLU  26   4.042   3.369  -2.920
  186    HA   GLU  26           HA       GLU  26   2.705   5.801  -3.823
  187   1HB   GLU  26          2HB       GLU  26   5.215   4.518  -4.989
  188   2HB   GLU  26          3HB       GLU  26   4.422   5.947  -5.621
  189   1HG   GLU  26          2HG       GLU  26   5.394   5.806  -2.738
  190   2HG   GLU  26          3HG       GLU  26   6.454   6.306  -4.041
  191    H    MET  27           HN       MET  27   2.961   5.295  -6.630
  192    HA   MET  27           HA       MET  27   0.957   3.246  -6.843
  193   1HB   MET  27          2HB       MET  27   0.697   4.154  -9.151
  194   2HB   MET  27          3HB       MET  27   0.702   5.466  -7.989
  195   1HG   MET  27          2HG       MET  27   2.419   6.412  -9.134
  196   2HG   MET  27          3HG       MET  27   3.437   5.070  -8.649
  197   1HE   MET  27          1HE       MET  27   2.857   7.119 -10.985
  198   2HE   MET  27          2HE       MET  27   3.425   6.293 -12.456
  199   3HE   MET  27          3HE       MET  27   1.681   6.524 -12.182
  200    H    VAL  28           HN       VAL  28   1.189   1.262  -7.888
  201    HA   VAL  28           HA       VAL  28   3.822   0.758  -9.085
  202    HB   VAL  28           HB       VAL  28   4.095  -1.198  -7.930
  203   1HG1  VAL  28          1HG1      VAL  28   4.263  -0.490  -5.798
  204   2HG1  VAL  28          2HG1      VAL  28   3.605   1.039  -6.428
  205   3HG1  VAL  28          3HG1      VAL  28   2.521  -0.150  -5.666
  206   1HG2  VAL  28          1HG2      VAL  28   1.774  -1.875  -6.526
  207   2HG2  VAL  28          2HG2      VAL  28   1.197  -1.378  -8.135
  208   3HG2  VAL  28          3HG2      VAL  28   2.413  -2.670  -7.986
  209    HA   PRO  29           HA       PRO  29   1.615  -1.027 -12.347
  210   1HB   PRO  29          2HB       PRO  29   3.076  -3.217 -13.081
  211   2HB   PRO  29          3HB       PRO  29   3.521  -1.578 -13.514
  212   1HG   PRO  29          2HG       PRO  29   4.718  -3.345 -11.468
  213   2HG   PRO  29          3HG       PRO  29   5.391  -1.905 -12.204
  214   1HD   PRO  29          2HD       PRO  29   4.254  -2.119  -9.580
  215   2HD   PRO  29          3HD       PRO  29   4.822  -0.656 -10.360
  216    H    TRP  30           HN       TRP  30  -0.405  -1.756 -12.250
  217    HA   TRP  30           HA       TRP  30  -0.660  -4.416 -11.028
  218   1HB   TRP  30          2HB       TRP  30  -1.441  -2.828  -9.410
  219   2HB   TRP  30          3HB       TRP  30  -2.414  -1.995 -10.606
  220    HD1  TRP  30           HD1      TRP  30  -4.896  -2.520  -9.979
  221    HE1  TRP  30           HE1      TRP  30  -6.383  -4.617  -9.380
  222    HE3  TRP  30           HE3      TRP  30  -1.071  -5.870  -9.916
  223    HZ2  TRP  30           HZ2      TRP  30  -5.804  -7.378  -8.955
  224    HZ3  TRP  30           HZ3      TRP  30  -1.618  -8.246  -9.399
  225    HH2  TRP  30           HH2      TRP  30  -3.890  -9.019  -8.930
  226    H    ASP  31           HN       ASP  31  -3.624  -3.002 -11.947
  227    HA   ASP  31           HA       ASP  31  -3.682  -3.029 -14.626
  228   1HB   ASP  31          2HB       ASP  31  -3.046  -5.630 -13.824
  229   2HB   ASP  31          3HB       ASP  31  -4.783  -5.721 -14.044
  230    H    GLY  32           HN       GLY  32  -5.323  -4.799 -11.891
  231   1HA   GLY  32          1HA       GLY  32  -7.955  -4.460 -12.669
  232   2HA   GLY  32          2HA       GLY  32  -7.388  -4.635 -11.020
  233    H    CYS  33           HN       CYS  33  -5.632  -2.051 -11.700
  234    HA   CYS  33           HA       CYS  33  -7.556  -0.264 -10.577
  235   1HB   CYS  33          2HB       CYS  33  -4.657  -0.374 -10.870
  236   2HB   CYS  33          3HB       CYS  33  -5.278   1.216 -11.264
  237    HG   CYS  33           HG       CYS  33  -4.757  -0.128  -8.526
  238    H    LYS  34           HN       LYS  34  -8.107   1.857 -11.601
  239    HA   LYS  34           HA       LYS  34  -8.988   1.546 -14.217
  240   1HB   LYS  34          2HB       LYS  34  -9.073   3.552 -12.127
  241   2HB   LYS  34          3HB       LYS  34  -8.816   4.307 -13.686
  242   1HG   LYS  34          2HG       LYS  34 -11.160   4.155 -13.614
  243   2HG   LYS  34          3HG       LYS  34 -10.741   2.717 -14.525
  244   1HD   LYS  34          2HD       LYS  34 -10.868   2.466 -11.525
  245   2HD   LYS  34          3HD       LYS  34 -12.387   2.631 -12.385
  246   1HE   LYS  34          2HE       LYS  34 -11.519   0.727 -13.939
  247   2HE   LYS  34          3HE       LYS  34 -10.279   0.459 -12.730
  248   1HZ   LYS  34          1HZ       LYS  34 -12.376   0.499 -11.183
  249   2HZ   LYS  34          2HZ       LYS  34 -13.125   0.006 -12.548
  250   3HZ   LYS  34          3HZ       LYS  34 -11.890  -0.868 -11.934
  251    H    ALA  35           HN       ALA  35  -5.883   2.547 -12.884
  252    HA   ALA  35           HA       ALA  35  -5.030   3.271 -15.603
  253   1HB   ALA  35          1HB       ALA  35  -4.705   5.185 -14.284
  254   2HB   ALA  35          2HB       ALA  35  -4.236   4.239 -12.852
  255   3HB   ALA  35          3HB       ALA  35  -3.114   4.390 -14.226
  256    H    GLY  36           HN       GLY  36  -5.320   0.588 -13.981
  257   1HA   GLY  36          1HA       GLY  36  -4.179  -1.339 -13.802
  258   2HA   GLY  36          2HA       GLY  36  -3.193  -0.766 -15.132
  259    H    GLN  37           HN       GLN  37  -3.517   0.786 -11.893
  260    HA   GLN  37           HA       GLN  37  -0.899  -0.207 -11.198
  261   1HB   GLN  37          2HB       GLN  37  -0.163   2.152 -10.582
  262   2HB   GLN  37          3HB       GLN  37  -0.260   1.825 -12.301
  263   1HG   GLN  37          2HG       GLN  37  -1.688   3.568 -12.530
  264   2HG   GLN  37          3HG       GLN  37  -2.861   2.715 -11.544
  265   1HE2  GLN  37          1HE2      GLN  37  -3.194   3.262  -9.454
  266   2HE2  GLN  37          2HE2      GLN  37  -2.473   4.622  -8.660
  267    H    ILE  38           HN       ILE  38  -0.944  -0.871  -9.092
  268    HA   ILE  38           HA       ILE  38  -3.125   0.169  -7.443
  269    HB   ILE  38           HB       ILE  38  -2.691  -2.342  -8.005
  270   1HG1  ILE  38          2HG1      ILE  38  -3.193  -2.435  -5.206
  271   2HG1  ILE  38          3HG1      ILE  38  -3.877  -0.934  -5.798
  272   1HG2  ILE  38          1HG2      ILE  38  -1.132  -2.479  -5.501
  273   2HG2  ILE  38          2HG2      ILE  38  -1.027  -3.457  -6.984
  274   3HG2  ILE  38          3HG2      ILE  38  -0.251  -1.858  -6.916
  275   1HD1  ILE  38          1HD1      ILE  38  -4.337  -3.525  -7.312
  276   2HD1  ILE  38          2HD1      ILE  38  -5.345  -3.093  -5.909
  277   3HD1  ILE  38          3HD1      ILE  38  -5.307  -2.031  -7.338
  278    H    ALA  39           HN       ALA  39  -2.750   1.215  -5.498
  279    HA   ALA  39           HA       ALA  39  -0.194   2.413  -5.218
  280   1HB   ALA  39          1HB       ALA  39  -2.091   2.517  -2.941
  281   2HB   ALA  39          2HB       ALA  39  -1.315   3.838  -3.847
  282   3HB   ALA  39          3HB       ALA  39  -2.765   3.041  -4.503
  283    H    SER  40           HN       SER  40   1.567   1.335  -4.482
  284    HA   SER  40           HA       SER  40   1.401   0.062  -1.963
  285   1HB   SER  40          2HB       SER  40   1.826  -1.620  -4.463
  286   2HB   SER  40          3HB       SER  40   2.385  -2.145  -2.887
  287    HG   SER  40           HG       SER  40   0.065  -2.704  -3.781
  288    H    SER  41           HN       SER  41   3.719  -0.969  -1.462
  289    HA   SER  41           HA       SER  41   5.551   1.054  -1.827
  290   1HB   SER  41          2HB       SER  41   6.374  -0.128  -0.084
  291   2HB   SER  41          3HB       SER  41   5.423  -1.536  -0.516
  292    HG   SER  41           HG       SER  41   7.077  -2.297  -1.843
  293    HA   PRO  42           HA       PRO  42   7.020   0.014  -5.818
  294   1HB   PRO  42          2HB       PRO  42   8.961   1.925  -6.035
  295   2HB   PRO  42          3HB       PRO  42   7.272   2.231  -6.387
  296   1HG   PRO  42          2HG       PRO  42   8.851   3.049  -4.026
  297   2HG   PRO  42          3HG       PRO  42   7.322   3.685  -4.598
  298   1HD   PRO  42          2HD       PRO  42   7.719   1.900  -2.388
  299   2HD   PRO  42          3HD       PRO  42   6.183   2.444  -3.033
  300    H    ARG  43           HN       ARG  43   9.542   0.770  -3.458
  301    HA   ARG  43           HA       ARG  43  10.618  -1.829  -3.955
  302   1HB   ARG  43          2HB       ARG  43  12.255   0.695  -4.520
  303   2HB   ARG  43          3HB       ARG  43  12.931  -0.920  -4.441
  304   1HG   ARG  43          2HG       ARG  43  11.425  -1.636  -6.315
  305   2HG   ARG  43          3HG       ARG  43  10.765  -0.015  -6.398
  306   1HD   ARG  43          2HD       ARG  43  13.063   0.880  -6.900
  307   2HD   ARG  43          3HD       ARG  43  13.698  -0.752  -6.851
  308    HE   ARG  43           HE       ARG  43  11.503  -0.718  -8.677
  309   1HH1  ARG  43          1HH1      ARG  43  13.364  -0.087 -11.560
  310   2HH1  ARG  43          2HH1      ARG  43  11.851  -0.653 -10.935
  311   1HH2  ARG  43          1HH2      ARG  43  15.036   0.603 -10.106
  312   2HH2  ARG  43          2HH2      ARG  43  14.771   0.554  -8.395
  313    H    THR  44           HN       THR  44   9.426   0.027  -1.785
  314    HA   THR  44           HA       THR  44   9.861   0.735   0.305
  315    HB   THR  44           HB       THR  44  11.363  -1.935   0.340
  316    HG1  THR  44           1HG      THR  44   8.556  -1.090   0.503
  317   1HG2  THR  44          1HG2      THR  44  11.461  -0.770   2.521
  318   2HG2  THR  44          2HG2      THR  44   9.720  -0.410   2.429
  319   3HG2  THR  44          3HG2      THR  44  10.271  -2.091   2.616
  320    H    GLU  45           HN       GLU  45  11.896   1.512  -1.819
  321    HA   GLU  45           HA       GLU  45  14.427   1.401  -0.817
  322   1HB   GLU  45          2HB       GLU  45  14.871   3.402  -2.216
  323   2HB   GLU  45          3HB       GLU  45  13.899   2.220  -3.070
  324   1HG   GLU  45          2HG       GLU  45  11.891   3.494  -2.804
  325   2HG   GLU  45          3HG       GLU  45  12.572   4.470  -1.518
  326    H    ASP  46           HN       ASP  46  11.660   3.380   0.189
  327    HA   ASP  46           HA       ASP  46  13.414   4.923   1.904
  328   1HB   ASP  46          2HB       ASP  46  10.925   5.426   0.510
  329   2HB   ASP  46          3HB       ASP  46  10.640   5.635   2.226
  330    H    CYS  47           HN       CYS  47  11.475   5.520   3.961
  331    HA   CYS  47           HA       CYS  47  10.441   4.723   5.743
  332   1HB   CYS  47          2HB       CYS  47   9.201   3.170   4.240
  333   2HB   CYS  47          3HB       CYS  47  10.466   1.976   4.450
  334    H    VAL  48           HN       VAL  48  11.563   4.541   7.661
  335    HA   VAL  48           HA       VAL  48  13.878   2.732   7.668
  336    HB   VAL  48           HB       VAL  48  14.666   4.995   7.443
  337   1HG1  VAL  48          1HG1      VAL  48  14.133   6.501   9.587
  338   2HG1  VAL  48          2HG1      VAL  48  13.104   6.514   8.133
  339   3HG1  VAL  48          3HG1      VAL  48  12.628   5.552   9.552
  340   1HG2  VAL  48          1HG2      VAL  48  15.610   3.253   9.216
  341   2HG2  VAL  48          2HG2      VAL  48  16.280   4.895   9.071
  342   3HG2  VAL  48          3HG2      VAL  48  15.115   4.522  10.363
  343    H    GLY  49           HN       GLY  49  11.145   2.111   8.421
  344   1HA   GLY  49          1HA       GLY  49  10.258   0.870  10.107
  345   2HA   GLY  49          2HA       GLY  49  11.650   1.219  11.111
  346    H    CYS  50           HN       CYS  50   8.518   2.498   9.911
  347    HA   CYS  50           HA       CYS  50   8.427   4.140  12.325
  348   1HB   CYS  50          2HB       CYS  50   8.389   6.046  11.174
  349   2HB   CYS  50          3HB       CYS  50   8.609   5.166   9.674
  350    H    LYS  51           HN       LYS  51   6.130   4.583  12.996
  351    HA   LYS  51           HA       LYS  51   4.361   2.465  11.990
  352   1HB   LYS  51          2HB       LYS  51   4.707   3.640  14.753
  353   2HB   LYS  51          3HB       LYS  51   3.283   2.728  14.299
  354   1HG   LYS  51          2HG       LYS  51   5.044   0.937  13.429
  355   2HG   LYS  51          3HG       LYS  51   6.153   1.779  14.492
  356   1HD   LYS  51          2HD       LYS  51   4.204   1.521  16.281
  357   2HD   LYS  51          3HD       LYS  51   3.635   0.255  15.211
  358   1HE   LYS  51          2HE       LYS  51   5.212  -1.181  15.985
  359   2HE   LYS  51          3HE       LYS  51   6.495  -0.063  15.565
  360   1HZ   LYS  51          1HZ       LYS  51   4.944   0.543  17.929
  361   2HZ   LYS  51          2HZ       LYS  51   5.982  -0.714  18.026
  362   3HZ   LYS  51          3HZ       LYS  51   6.535   0.774  17.642
  363    H    ARG  52           HN       ARG  52   3.394   3.639  10.304
  364    HA   ARG  52           HA       ARG  52   1.346   5.354  11.178
  365   1HB   ARG  52          2HB       ARG  52   3.859   6.555  10.211
  366   2HB   ARG  52          3HB       ARG  52   2.498   7.041   9.219
  367   1HG   ARG  52          2HG       ARG  52   2.565   7.239  12.267
  368   2HG   ARG  52          3HG       ARG  52   2.905   8.572  11.183
  369   1HD   ARG  52          2HD       ARG  52   0.542   7.999  10.135
  370   2HD   ARG  52          3HD       ARG  52   0.268   7.137  11.636
  371    HE   ARG  52           HE       ARG  52   1.296   9.834  12.079
  372   1HH1  ARG  52          1HH1      ARG  52  -1.808  11.090  13.062
  373   2HH1  ARG  52          2HH1      ARG  52  -0.102  11.381  13.016
  374   1HH2  ARG  52          1HH2      ARG  52  -2.676   9.129  12.174
  375   2HH2  ARG  52          2HH2      ARG  52  -1.616   7.957  11.465
  376    H    CYS  53           HN       CYS  53   1.032   2.985   9.946
  377    HA   CYS  53           HA       CYS  53  -0.208   3.680   7.513
  378   1HB   CYS  53          2HB       CYS  53   1.073   2.307   5.963
  379   2HB   CYS  53          3HB       CYS  53   2.084   3.572   6.632
  380    H    GLU  54           HN       GLU  54  -1.006   2.622  10.036
  381    HA   GLU  54           HA       GLU  54  -1.155  -0.224   9.718
  382   1HB   GLU  54          2HB       GLU  54  -2.255  -0.196  11.910
  383   2HB   GLU  54          3HB       GLU  54  -0.810   0.796  11.959
  384   1HG   GLU  54          2HG       GLU  54  -2.571   2.724  11.246
  385   2HG   GLU  54          3HG       GLU  54  -3.699   1.639  12.032
  386    H    THR  55           HN       THR  55  -2.297   0.478   7.487
  387    HA   THR  55           HA       THR  55  -5.023  -0.260   7.790
  388    HB   THR  55           HB       THR  55  -5.146   2.170   8.434
  389    HG1  THR  55           1HG      THR  55  -6.942   1.296   7.284
  390   1HG2  THR  55          1HG2      THR  55  -4.959   3.659   6.216
  391   2HG2  THR  55          2HG2      THR  55  -3.526   3.399   7.240
  392   3HG2  THR  55          3HG2      THR  55  -3.748   2.436   5.760
  393    H    ALA  56           HN       ALA  56  -2.951  -1.548   6.544
  394    HA   ALA  56           HA       ALA  56  -2.510  -0.866   3.895
  395   1HB   ALA  56          1HB       ALA  56  -1.423  -2.889   3.807
  396   2HB   ALA  56          2HB       ALA  56  -1.573  -2.747   5.575
  397   3HB   ALA  56          3HB       ALA  56  -2.726  -3.749   4.661
  398    H    CYS  57           HN       CYS  57  -4.650  -3.595   4.975
  399    HA   CYS  57           HA       CYS  57  -6.965  -2.727   3.824
  400   1HB   CYS  57          2HB       CYS  57  -5.097  -3.379   1.770
  401   2HB   CYS  57          3HB       CYS  57  -6.314  -4.641   1.783
  402    HA   PRO  58           HA       PRO  58  -6.863  -6.641   6.132
  403   1HB   PRO  58          2HB       PRO  58  -8.466  -5.878   8.211
  404   2HB   PRO  58          3HB       PRO  58  -6.717  -5.787   8.266
  405   1HG   PRO  58          2HG       PRO  58  -8.677  -3.599   7.932
  406   2HG   PRO  58          3HG       PRO  58  -6.993  -3.502   8.410
  407   1HD   PRO  58          2HD       PRO  58  -8.085  -2.869   5.834
  408   2HD   PRO  58          3HD       PRO  58  -6.390  -2.883   6.280
  409    H    THR  59           HN       THR  59  -8.230  -8.382   6.000
  410    HA   THR  59           HA       THR  59 -10.087  -9.477   5.440
  411    HB   THR  59           HB       THR  59 -11.568  -6.810   5.679
  412    HG1  THR  59           1HG      THR  59 -11.709  -7.643   7.967
  413   1HG2  THR  59          1HG2      THR  59 -12.582  -9.269   4.984
  414   2HG2  THR  59          2HG2      THR  59 -12.617  -9.400   6.759
  415   3HG2  THR  59          3HG2      THR  59 -13.490  -8.079   5.946
  416    H    ASP  60           HN       ASP  60 -10.145  -6.209   3.868
  417    HA   ASP  60           HA       ASP  60 -11.433  -6.619   1.667
  418   1HB   ASP  60          2HB       ASP  60  -9.026  -5.111   2.362
  419   2HB   ASP  60          3HB       ASP  60  -8.960  -5.599   0.680
  420    H    PHE  61           HN       PHE  61  -8.104  -7.886   2.327
  421    HA   PHE  61           HA       PHE  61  -8.558 -10.071   0.535
  422   1HB   PHE  61          2HB       PHE  61  -6.792  -7.675  -0.048
  423   2HB   PHE  61          3HB       PHE  61  -6.137  -9.243  -0.475
  424    HD1  PHE  61           1HD      PHE  61  -7.140 -10.569  -2.255
  425    HD2  PHE  61           2HD      PHE  61  -8.707  -6.760  -1.234
  426    HE1  PHE  61           1HE      PHE  61  -8.433 -10.524  -4.405
  427    HE2  PHE  61           2HE      PHE  61  -9.999  -6.715  -3.385
  428    HZ   PHE  61           HZ       PHE  61  -9.847  -8.597  -4.946
  429    H    LEU  62           HN       LEU  62  -5.461  -8.468   1.477
  430    HA   LEU  62           HA       LEU  62  -4.425 -10.860   2.521
  431   1HB   LEU  62          2HB       LEU  62  -2.493  -9.694   2.831
  432   2HB   LEU  62          3HB       LEU  62  -3.262  -8.765   1.560
  433    HG   LEU  62           HG       LEU  62  -3.791  -7.882   4.353
  434   1HD1  LEU  62          1HD1      LEU  62  -1.279  -8.541   4.080
  435   2HD1  LEU  62          2HD1      LEU  62  -1.186  -7.045   3.119
  436   3HD1  LEU  62          3HD1      LEU  62  -1.718  -6.980   4.816
  437   1HD2  LEU  62          1HD2      LEU  62  -4.219  -5.876   3.403
  438   2HD2  LEU  62          2HD2      LEU  62  -2.903  -6.026   2.215
  439   3HD2  LEU  62          3HD2      LEU  62  -4.445  -6.874   1.947
  440    H    SER  63           HN       SER  63  -4.311 -11.688   4.594
  441    HA   SER  63           HA       SER  63  -6.063 -10.350   6.473
  442   1HB   SER  63          2HB       SER  63  -5.224 -13.171   5.971
  443   2HB   SER  63          3HB       SER  63  -5.449 -12.746   7.657
  444    HG   SER  63           HG       SER  63  -7.544 -11.692   6.335
  445    H    ILE  64           HN       ILE  64  -3.405  -9.262   5.949
  446    HA   ILE  64           HA       ILE  64  -1.686  -8.444   7.067
  447    HB   ILE  64           HB       ILE  64  -3.246  -9.491   9.419
  448   1HG1  ILE  64          2HG1      ILE  64  -2.935  -6.661   9.380
  449   2HG1  ILE  64          3HG1      ILE  64  -3.405  -7.152   7.764
  450   1HG2  ILE  64          1HG2      ILE  64  -0.593  -8.056   9.375
  451   2HG2  ILE  64          2HG2      ILE  64  -1.702  -7.965  10.764
  452   3HG2  ILE  64          3HG2      ILE  64  -1.051  -9.538  10.247
  453   1HD1  ILE  64          1HD1      ILE  64  -5.335  -6.693   9.374
  454   2HD1  ILE  64          2HD1      ILE  64  -5.382  -8.281   8.573
  455   3HD1  ILE  64          3HD1      ILE  64  -4.836  -8.154  10.262
  456    H    ARG  65           HN       ARG  65   0.115  -9.467   6.337
  457    HA   ARG  65           HA       ARG  65   0.529 -12.182   7.204
  458   1HB   ARG  65          2HB       ARG  65   0.999 -10.880   4.794
  459   2HB   ARG  65          3HB       ARG  65   2.602 -10.882   5.501
  460   1HG   ARG  65          2HG       ARG  65   1.141 -13.471   5.740
  461   2HG   ARG  65          3HG       ARG  65   1.509 -12.993   4.094
  462   1HD   ARG  65          2HD       ARG  65   3.933 -12.503   5.047
  463   2HD   ARG  65          3HD       ARG  65   3.436 -13.529   6.377
  464    HE   ARG  65           HE       ARG  65   3.989 -14.380   3.628
  465   1HH1  ARG  65          1HH1      ARG  65   3.193 -17.710   4.303
  466   2HH1  ARG  65          2HH1      ARG  65   3.925 -16.618   3.174
  467   1HH2  ARG  65          1HH2      ARG  65   2.278 -16.898   6.275
  468   2HH2  ARG  65          2HH2      ARG  65   2.327 -15.201   6.619
  469    H    VAL  66           HN       VAL  66   0.976  -9.332   8.659
  470    HA   VAL  66           HA       VAL  66   2.346  -8.506  10.182
  471    HB   VAL  66           HB       VAL  66   3.312 -11.369  10.255
  472   1HG1  VAL  66          1HG1      VAL  66   4.664  -9.216  11.321
  473   2HG1  VAL  66          2HG1      VAL  66   3.654  -9.753  12.686
  474   3HG1  VAL  66          3HG1      VAL  66   4.769 -10.897  11.900
  475   1HG2  VAL  66          1HG2      VAL  66   1.651 -11.822  11.748
  476   2HG2  VAL  66          2HG2      VAL  66   1.651 -10.173  12.420
  477   3HG2  VAL  66          3HG2      VAL  66   0.844 -10.501  10.868
  478    H    TYR  67           HN       TYR  67   3.644  -6.969   9.292
  479    HA   TYR  67           HA       TYR  67   6.229  -7.890   8.288
  480   1HB   TYR  67          2HB       TYR  67   3.988  -6.923   6.752
  481   2HB   TYR  67          3HB       TYR  67   5.095  -5.568   6.849
  482    HD1  TYR  67           HD1      TYR  67   4.978  -9.195   5.940
  483    HD2  TYR  67           HD2      TYR  67   6.914  -5.422   5.376
  484    HE1  TYR  67           HE1      TYR  67   6.365 -10.181   4.051
  485    HE2  TYR  67           HE2      TYR  67   8.295  -6.420   3.489
  486    HH   TYR  67           HH       TYR  67   7.938  -9.847   2.614
  487    H    LEU  68           HN       LEU  68   4.100  -5.129   9.256
  488    HA   LEU  68           HA       LEU  68   6.189  -3.302   9.612
  489   1HB   LEU  68          2HB       LEU  68   3.372  -3.497  10.646
  490   2HB   LEU  68          3HB       LEU  68   4.435  -2.190  11.128
  491    HG   LEU  68           HG       LEU  68   3.838  -2.812   8.229
  492   1HD1  LEU  68          1HD1      LEU  68   2.208  -0.926   8.334
  493   2HD1  LEU  68          2HD1      LEU  68   1.706  -2.377   9.236
  494   3HD1  LEU  68          3HD1      LEU  68   2.348  -0.964  10.109
  495   1HD2  LEU  68          1HD2      LEU  68   4.534  -0.452   7.904
  496   2HD2  LEU  68          2HD2      LEU  68   4.973  -0.376   9.628
  497   3HD2  LEU  68          3HD2      LEU  68   5.829  -1.494   8.538
  498    H    GLY  69           HN       GLY  69   4.444  -5.448  11.962
  499   1HA   GLY  69          1HA       GLY  69   6.455  -4.814  13.991
  500   2HA   GLY  69          2HA       GLY  69   4.945  -5.674  14.218
  501    H    ALA  70           HN       ALA  70   7.808  -6.092  12.005
  502    HA   ALA  70           HA       ALA  70   8.178  -8.751  13.164
  503   1HB   ALA  70          1HB       ALA  70   8.042  -8.162  10.179
  504   2HB   ALA  70          2HB       ALA  70   8.346  -9.744  10.938
  505   3HB   ALA  70          3HB       ALA  70   6.759  -8.959  11.121
  506    H    GLU  71           HN       GLU  71   9.428  -6.386  10.697
  507    HA   GLU  71           HA       GLU  71  12.038  -7.241  10.857
  508   1HB   GLU  71          2HB       GLU  71  12.595  -5.232   9.654
  509   2HB   GLU  71          3HB       GLU  71  11.008  -5.728   9.102
  510   1HG   GLU  71          2HG       GLU  71  10.085  -4.128  10.967
  511   2HG   GLU  71          3HG       GLU  71  11.707  -3.466  11.010
  512    H    THR  72           HN       THR  72  13.416  -4.658  11.368
  513    HA   THR  72           HA       THR  72  14.631  -3.908  13.106
  514    HB   THR  72           HB       THR  72  12.772  -2.300  12.979
  515    HG1  THR  72           1HG      THR  72  14.341  -2.527  14.914
  516   1HG2  THR  72          1HG2      THR  72  10.801  -3.737  13.266
  517   2HG2  THR  72          2HG2      THR  72  11.380  -4.274  14.862
  518   3HG2  THR  72          3HG2      THR  72  10.848  -2.591  14.628
  519    H    THR  73           HN       THR  73  14.918  -6.500  13.332
  520    HA   THR  73           HA       THR  73  15.290  -6.902  16.075
  521    HB   THR  73           HB       THR  73  12.682  -7.138  15.732
  522    HG1  THR  73           1HG      THR  73  14.413  -9.252  16.812
  523   1HG2  THR  73          1HG2      THR  73  13.006  -8.779  13.748
  524   2HG2  THR  73          2HG2      THR  73  13.598  -9.947  14.955
  525   3HG2  THR  73          3HG2      THR  73  11.930  -9.333  15.053
  526    H    ARG  74           HN       ARG  74  14.815  -8.307  12.814
  527    HA   ARG  74           HA       ARG  74  17.257  -9.773  13.305
  528   1HB   ARG  74          2HB       ARG  74  16.197 -11.754  12.020
  529   2HB   ARG  74          3HB       ARG  74  15.659 -11.521  13.671
  530   1HG   ARG  74          2HG       ARG  74  13.888  -9.903  12.263
  531   2HG   ARG  74          3HG       ARG  74  14.147 -11.219  11.134
  532   1HD   ARG  74          2HD       ARG  74  13.838 -12.426  13.714
  533   2HD   ARG  74          3HD       ARG  74  12.583 -11.210  13.589
  534    HE   ARG  74           HE       ARG  74  12.880 -12.920  11.205
  535   1HH1  ARG  74          1HH1      ARG  74   9.804 -14.465  11.776
  536   2HH1  ARG  74          2HH1      ARG  74  11.099 -14.240  10.648
  537   1HH2  ARG  74          1HH2      ARG  74   9.876 -13.427  13.850
  538   2HH2  ARG  74          2HH2      ARG  74  11.226 -12.427  14.271
  539    H    SER  75           HN       SER  75  14.699  -8.677  11.001
  540    HA   SER  75           HA       SER  75  16.618  -8.848   8.847
  541   1HB   SER  75          2HB       SER  75  13.817  -9.205   9.032
  542   2HB   SER  75          3HB       SER  75  14.015  -7.712   8.136
  543    HG   SER  75           HG       SER  75  15.715  -9.846   7.368
  544    H    MET  76           HN       MET  76  15.478  -6.634  11.207
  545    HA   MET  76           HA       MET  76  15.343  -4.424  11.310
  546   1HB   MET  76          2HB       MET  76  18.119  -5.030  10.175
  547   2HB   MET  76          3HB       MET  76  17.693  -3.414  10.701
  548   1HG   MET  76          2HG       MET  76  17.329  -4.139  12.981
  549   2HG   MET  76          3HG       MET  76  17.333  -5.831  12.524
  550   1HE   MET  76          1HE       MET  76  19.230  -7.095  13.485
  551   2HE   MET  76          2HE       MET  76  20.660  -6.280  14.163
  552   3HE   MET  76          3HE       MET  76  19.030  -5.814  14.704
  553    H    GLY  77           HN       GLY  77  17.583  -4.150   8.539
  554   1HA   GLY  77          1HA       GLY  77  15.413  -3.286   6.775
  555   2HA   GLY  77          2HA       GLY  77  16.623  -2.098   7.214
  556    H    LEU  78           HN       LEU  78  18.938  -3.829   7.372
  557    HA   LEU  78           HA       LEU  78  19.294  -4.279   4.512
  558   1HB   LEU  78          2HB       LEU  78  20.951  -2.871   5.223
  559   2HB   LEU  78          3HB       LEU  78  21.070  -3.608   6.808
  560    HG   LEU  78           HG       LEU  78  22.985  -3.892   5.045
  561   1HD1  LEU  78          1HD1      LEU  78  23.206  -6.380   5.984
  562   2HD1  LEU  78          2HD1      LEU  78  23.463  -4.942   7.002
  563   3HD1  LEU  78          3HD1      LEU  78  21.906  -5.804   7.057
  564   1HD2  LEU  78          1HD2      LEU  78  21.883  -6.470   4.254
  565   2HD2  LEU  78          2HD2      LEU  78  20.937  -5.104   3.615
  566   3HD2  LEU  78          3HD2      LEU  78  22.681  -5.212   3.279
  567    H    ALA  79           HN       ALA  79  19.695  -5.882   7.727
  568    HA   ALA  79           HA       ALA  79  20.770  -8.246   6.995
  569   1HB   ALA  79          1HB       ALA  79  19.765  -9.143   8.974
  570   2HB   ALA  79          2HB       ALA  79  20.046  -7.414   9.295
  571   3HB   ALA  79          3HB       ALA  79  18.411  -7.991   8.892
  572    H    TYR  80           HN       TYR  80  17.552  -6.984   6.214
  573    HA   TYR  80           HA       TYR  80  16.366  -9.445   5.529
  574   1HB   TYR  80          2HB       TYR  80  14.620  -7.952   5.016
  575   2HB   TYR  80          3HB       TYR  80  15.644  -6.797   5.845
  576    HD1  TYR  80           HD1      TYR  80  17.715  -6.077   3.996
  577    HD2  TYR  80           HD2      TYR  80  13.611  -6.967   3.178
  578    HE1  TYR  80           HE1      TYR  80  17.822  -4.664   1.884
  579    HE2  TYR  80           HE2      TYR  80  13.732  -5.553   1.069
  580    HH   TYR  80           HH       TYR  80  15.024  -4.449  -0.284
  Start of MODEL   20
    1    H    SER   1           HN       SER   1  -4.767  -1.766   8.696
    2    HA   SER   1           HA       SER   1  -4.160  -4.310   9.946
    3   1HB   SER   1          2HB       SER   1  -4.010  -3.210   7.163
    4   2HB   SER   1          3HB       SER   1  -2.781  -4.380   7.599
    5    HG   SER   1           HG       SER   1  -4.423  -5.659   6.871
    6    H    HIS   2           HN       HIS   2  -1.571  -4.802   9.025
    7    HA   HIS   2           HA       HIS   2  -0.089  -2.719  10.443
    8   1HB   HIS   2          2HB       HIS   2   0.933  -5.499   9.904
    9   2HB   HIS   2          3HB       HIS   2   1.444  -4.357  11.132
   10    HD1  HIS   2           HD1      HIS   2  -1.819  -6.203  10.267
   11    HD2  HIS   2           HD2      HIS   2   0.459  -5.012  13.582
   12    HE1  HIS   2           HE1      HIS   2  -3.034  -7.094  12.326
   13    H    SER   3           HN       SER   3   2.449  -4.055   9.326
   14    HA   SER   3           HA       SER   3   3.244  -2.331   7.563
   15   1HB   SER   3          2HB       SER   3   4.705  -4.124   8.224
   16   2HB   SER   3          3HB       SER   3   3.673  -5.339   7.497
   17    HG   SER   3           HG       SER   3   4.198  -3.879   5.434
   18    H    VAL   4           HN       VAL   4   3.251  -1.999   5.231
   19    HA   VAL   4           HA       VAL   4   0.815  -3.033   3.994
   20    HB   VAL   4           HB       VAL   4   1.110  -1.184   2.426
   21   1HG1  VAL   4          1HG1      VAL   4  -0.248  -0.392   4.070
   22   2HG1  VAL   4          2HG1      VAL   4   0.914  -0.767   5.366
   23   3HG1  VAL   4          3HG1      VAL   4   1.138   0.686   4.364
   24   1HG2  VAL   4          1HG2      VAL   4   3.134  -0.315   2.077
   25   2HG2  VAL   4          2HG2      VAL   4   3.045   0.443   3.686
   26   3HG2  VAL   4          3HG2      VAL   4   3.792  -1.163   3.497
   27    H    LYS   5           HN       LYS   5   2.533  -5.074   4.165
   28    HA   LYS   5           HA       LYS   5   4.615  -5.408   2.527
   29   1HB   LYS   5          2HB       LYS   5   2.613  -7.097   3.739
   30   2HB   LYS   5          3HB       LYS   5   3.030  -7.724   2.157
   31   1HG   LYS   5          2HG       LYS   5   5.228  -6.831   4.046
   32   2HG   LYS   5          3HG       LYS   5   4.483  -8.403   4.261
   33   1HD   LYS   5          2HD       LYS   5   5.135  -7.958   1.442
   34   2HD   LYS   5          3HD       LYS   5   6.555  -7.723   2.441
   35   1HE   LYS   5          2HE       LYS   5   6.031  -9.959   3.567
   36   2HE   LYS   5          3HE       LYS   5   4.762 -10.195   2.381
   37   1HZ   LYS   5          1HZ       LYS   5   7.471 -10.663   2.083
   38   2HZ   LYS   5          2HZ       LYS   5   6.287 -10.888   0.979
   39   3HZ   LYS   5          3HZ       LYS   5   7.082  -9.464   1.044
   40    H    ILE   6           HN       ILE   6   4.903  -6.270   0.319
   41    HA   ILE   6           HA       ILE   6   3.453  -4.728  -1.531
   42    HB   ILE   6           HB       ILE   6   5.223  -7.106  -2.090
   43   1HG1  ILE   6          2HG1      ILE   6   6.559  -5.830  -0.660
   44   2HG1  ILE   6          3HG1      ILE   6   7.036  -5.313  -2.265
   45   1HG2  ILE   6          1HG2      ILE   6   3.831  -6.072  -3.949
   46   2HG2  ILE   6          2HG2      ILE   6   4.833  -4.614  -3.752
   47   3HG2  ILE   6          3HG2      ILE   6   5.589  -6.157  -4.217
   48   1HD1  ILE   6          1HD1      ILE   6   4.973  -3.856  -0.550
   49   2HD1  ILE   6          2HD1      ILE   6   6.689  -3.399  -0.667
   50   3HD1  ILE   6          3HD1      ILE   6   5.642  -3.303  -2.104
   51    H    TYR   7           HN       TYR   7   1.361  -5.044  -2.062
   52    HA   TYR   7           HA       TYR   7   0.565  -7.656  -2.970
   53   1HB   TYR   7          2HB       TYR   7  -0.465  -6.215  -0.463
   54   2HB   TYR   7          3HB       TYR   7  -1.498  -7.348  -1.310
   55    HD1  TYR   7           HD1      TYR   7   0.543  -7.073   1.432
   56    HD2  TYR   7           HD2      TYR   7  -0.082  -9.667  -1.913
   57    HE1  TYR   7           HE1      TYR   7   1.588  -8.999   2.722
   58    HE2  TYR   7           HE2      TYR   7   0.965 -11.584  -0.612
   59    HH   TYR   7           HH       TYR   7   2.603 -11.046   2.385
   60    H    ASP   8           HN       ASP   8  -1.534  -7.603  -4.085
   61    HA   ASP   8           HA       ASP   8  -1.957  -4.971  -5.170
   62   1HB   ASP   8          2HB       ASP   8  -3.570  -6.347  -6.697
   63   2HB   ASP   8          3HB       ASP   8  -1.844  -6.581  -6.887
   64    H    THR   9           HN       THR   9  -2.813  -5.188  -2.477
   65    HA   THR   9           HA       THR   9  -5.681  -5.739  -2.574
   66    HB   THR   9           HB       THR   9  -4.445  -6.744  -0.720
   67    HG1  THR   9           1HG      THR   9  -6.530  -5.322  -0.477
   68   1HG2  THR   9          1HG2      THR   9  -3.682  -4.456   0.819
   69   2HG2  THR   9          2HG2      THR   9  -2.605  -5.702   0.145
   70   3HG2  THR   9          3HG2      THR   9  -2.964  -4.233  -0.794
   71    H    CYS  10           HN       CYS  10  -6.572  -4.058  -3.755
   72    HA   CYS  10           HA       CYS  10  -6.842  -1.641  -2.268
   73   1HB   CYS  10          2HB       CYS  10  -4.658  -1.362  -3.597
   74   2HB   CYS  10          3HB       CYS  10  -5.659  -1.324  -5.036
   75    H    ILE  11           HN       ILE  11  -8.874  -0.748  -2.750
   76    HA   ILE  11           HA       ILE  11 -10.299  -2.057  -4.958
   77    HB   ILE  11           HB       ILE  11 -12.234  -2.017  -3.723
   78   1HG1  ILE  11          2HG1      ILE  11 -11.849   0.480  -3.120
   79   2HG1  ILE  11          3HG1      ILE  11 -12.874  -0.509  -2.099
   80   1HG2  ILE  11          1HG2      ILE  11  -9.967  -2.422  -1.757
   81   2HG2  ILE  11          2HG2      ILE  11 -11.663  -2.860  -1.438
   82   3HG2  ILE  11          3HG2      ILE  11 -10.774  -3.649  -2.762
   83   1HD1  ILE  11          1HD1      ILE  11 -10.795  -0.979  -0.660
   84   2HD1  ILE  11          2HD1      ILE  11  -9.982   0.299  -1.595
   85   3HD1  ILE  11          3HD1      ILE  11 -11.415   0.690  -0.613
   86    H    GLY  12           HN       GLY  12  -8.901   0.876  -3.798
   87   1HA   GLY  12          1HA       GLY  12  -8.906   2.475  -5.795
   88   2HA   GLY  12          2HA       GLY  12 -10.639   2.503  -5.537
   89    H    CYS  13           HN       CYS  13  -9.775   2.005  -2.472
   90    HA   CYS  13           HA       CYS  13 -10.096   4.709  -1.756
   91   1HB   CYS  13          2HB       CYS  13 -10.866   3.643   0.048
   92   2HB   CYS  13          3HB       CYS  13 -10.109   2.137  -0.434
   93    H    THR  14           HN       THR  14  -8.474   5.873  -0.271
   94    HA   THR  14           HA       THR  14  -5.705   5.119  -0.883
   95    HB   THR  14           HB       THR  14  -5.277   7.552  -1.400
   96    HG1  THR  14           1HG      THR  14  -6.967   8.831  -0.768
   97   1HG2  THR  14          1HG2      THR  14  -6.785   7.695  -3.508
   98   2HG2  THR  14          2HG2      THR  14  -5.705   6.284  -3.412
   99   3HG2  THR  14          3HG2      THR  14  -7.432   6.112  -3.016
  100    H    GLN  15           HN       GLN  15  -6.573   4.266   1.428
  101    HA   GLN  15           HA       GLN  15  -6.376   6.356   3.378
  102   1HB   GLN  15          2HB       GLN  15  -6.842   4.567   5.008
  103   2HB   GLN  15          3HB       GLN  15  -7.992   4.509   3.688
  104   1HG   GLN  15          2HG       GLN  15  -6.738   2.674   2.614
  105   2HG   GLN  15          3HG       GLN  15  -5.473   2.787   3.820
  106   1HE2  GLN  15          1HE2      GLN  15  -5.940   0.522   4.131
  107   2HE2  GLN  15          2HE2      GLN  15  -7.209   0.026   5.201
  108    H    CYS  16           HN       CYS  16  -4.452   3.582   2.137
  109    HA   CYS  16           HA       CYS  16  -2.364   4.128   4.053
  110   1HB   CYS  16          2HB       CYS  16  -1.322   2.140   3.285
  111   2HB   CYS  16          3HB       CYS  16  -3.036   1.788   3.374
  112    H    VAL  17           HN       VAL  17  -3.299   6.096   1.897
  113    HA   VAL  17           HA       VAL  17  -0.681   6.410   0.603
  114    HB   VAL  17           HB       VAL  17  -3.312   7.227  -0.619
  115   1HG1  VAL  17          1HG1      VAL  17  -0.893   6.552  -2.223
  116   2HG1  VAL  17          2HG1      VAL  17  -2.126   7.810  -2.477
  117   3HG1  VAL  17          3HG1      VAL  17  -0.842   8.053  -1.269
  118   1HG2  VAL  17          1HG2      VAL  17  -3.647   4.930  -0.557
  119   2HG2  VAL  17          2HG2      VAL  17  -2.823   5.141  -2.120
  120   3HG2  VAL  17          3HG2      VAL  17  -1.911   4.564  -0.704
  121    H    ARG  18           HN       ARG  18  -2.167   7.409   3.172
  122    HA   ARG  18           HA       ARG  18  -1.764  10.224   2.543
  123   1HB   ARG  18          2HB       ARG  18  -4.047   8.876   3.740
  124   2HB   ARG  18          3HB       ARG  18  -3.358   9.972   4.923
  125   1HG   ARG  18          2HG       ARG  18  -4.971  11.254   3.669
  126   2HG   ARG  18          3HG       ARG  18  -3.392  11.798   3.141
  127   1HD   ARG  18          2HD       ARG  18  -4.001   9.613   1.436
  128   2HD   ARG  18          3HD       ARG  18  -5.511  10.490   1.589
  129    HE   ARG  18           HE       ARG  18  -3.140  12.170   1.063
  130   1HH1  ARG  18          1HH1      ARG  18  -4.306  13.017  -2.115
  131   2HH1  ARG  18          2HH1      ARG  18  -3.135  13.361  -0.886
  132   1HH2  ARG  18          1HH2      ARG  18  -5.879  11.344  -1.781
  133   2HH2  ARG  18          2HH2      ARG  18  -5.883  10.440  -0.304
  134    H    ALA  19           HN       ALA  19  -1.951   7.889   5.340
  135    HA   ALA  19           HA       ALA  19  -0.176   9.450   6.920
  136   1HB   ALA  19          1HB       ALA  19  -2.073   7.588   7.445
  137   2HB   ALA  19          2HB       ALA  19  -0.621   6.561   7.517
  138   3HB   ALA  19          3HB       ALA  19  -0.758   7.984   8.578
  139    H    CYS  20           HN       CYS  20   1.807   9.777   5.890
  140    HA   CYS  20           HA       CYS  20   3.704   7.790   6.169
  141   1HB   CYS  20          2HB       CYS  20   2.511   6.719   4.250
  142   2HB   CYS  20          3HB       CYS  20   2.878   8.121   3.266
  143    HA   PRO  21           HA       PRO  21   5.418  11.854   5.754
  144   1HB   PRO  21          2HB       PRO  21   7.631  11.432   7.300
  145   2HB   PRO  21          3HB       PRO  21   6.089  11.947   7.954
  146   1HG   PRO  21          2HG       PRO  21   7.356   9.278   8.074
  147   2HG   PRO  21          3HG       PRO  21   6.056   9.921   9.057
  148   1HD   PRO  21          2HD       PRO  21   5.808   8.063   6.886
  149   2HD   PRO  21          3HD       PRO  21   4.500   8.795   7.794
  150    H    LEU  22           HN       LEU  22   7.663   9.120   5.701
  151    HA   LEU  22           HA       LEU  22   9.458  10.357   3.974
  152   1HB   LEU  22          2HB       LEU  22   8.944   7.396   4.237
  153   2HB   LEU  22          3HB       LEU  22  10.418   8.178   3.701
  154    HG   LEU  22           HG       LEU  22   9.977   9.252   6.241
  155   1HD1  LEU  22          1HD1      LEU  22   9.195   6.335   6.168
  156   2HD1  LEU  22          2HD1      LEU  22   9.819   7.133   7.632
  157   3HD1  LEU  22          3HD1      LEU  22   8.312   7.706   6.879
  158   1HD2  LEU  22          1HD2      LEU  22  11.957   7.956   6.872
  159   2HD2  LEU  22          2HD2      LEU  22  11.773   6.955   5.413
  160   3HD2  LEU  22          3HD2      LEU  22  12.139   8.690   5.260
  161    H    ASP  23           HN       ASP  23   6.317   8.874   3.434
  162    HA   ASP  23           HA       ASP  23   5.066   8.750   1.665
  163   1HB   ASP  23          2HB       ASP  23   7.042  10.781   0.883
  164   2HB   ASP  23          3HB       ASP  23   6.478   9.883  -0.513
  165    H    VAL  24           HN       VAL  24   5.606   6.394   1.694
  166    HA   VAL  24           HA       VAL  24   7.493   5.635  -0.425
  167    HB   VAL  24           HB       VAL  24   7.764   3.549   0.741
  168   1HG1  VAL  24          1HG1      VAL  24   8.256   4.868   3.164
  169   2HG1  VAL  24          2HG1      VAL  24   9.387   4.654   1.807
  170   3HG1  VAL  24          3HG1      VAL  24   8.398   6.129   1.917
  171   1HG2  VAL  24          1HG2      VAL  24   5.507   4.573   2.446
  172   2HG2  VAL  24          2HG2      VAL  24   5.734   2.971   1.705
  173   3HG2  VAL  24          3HG2      VAL  24   6.695   3.437   3.128
  174    H    LEU  25           HN       LEU  25   4.249   5.068   1.042
  175    HA   LEU  25           HA       LEU  25   3.434   3.143  -0.818
  176   1HB   LEU  25          2HB       LEU  25   1.749   5.091   0.759
  177   2HB   LEU  25          3HB       LEU  25   1.197   3.609   0.003
  178    HG   LEU  25           HG       LEU  25   3.287   2.779   1.660
  179   1HD1  LEU  25          1HD1      LEU  25   2.251   3.755   3.890
  180   2HD1  LEU  25          2HD1      LEU  25   3.554   4.597   3.017
  181   3HD1  LEU  25          3HD1      LEU  25   1.867   5.132   2.830
  182   1HD2  LEU  25          1HD2      LEU  25   1.694   1.437   2.630
  183   2HD2  LEU  25          2HD2      LEU  25   0.449   2.709   2.617
  184   3HD2  LEU  25          3HD2      LEU  25   0.885   1.875   1.106
  185    H    GLU  26           HN       GLU  26   3.590   3.490  -2.984
  186    HA   GLU  26           HA       GLU  26   2.291   5.919  -3.933
  187   1HB   GLU  26          2HB       GLU  26   4.839   4.675  -5.061
  188   2HB   GLU  26          3HB       GLU  26   3.985   6.030  -5.772
  189   1HG   GLU  26          2HG       GLU  26   4.293   7.291  -3.582
  190   2HG   GLU  26          3HG       GLU  26   5.280   5.962  -3.006
  191    H    MET  27           HN       MET  27   2.409   5.406  -6.698
  192    HA   MET  27           HA       MET  27   0.538   3.232  -6.821
  193   1HB   MET  27          2HB       MET  27   0.083   4.123  -9.088
  194   2HB   MET  27          3HB       MET  27   0.139   5.457  -7.954
  195   1HG   MET  27          2HG       MET  27   1.676   6.411  -9.338
  196   2HG   MET  27          3HG       MET  27   2.815   5.217  -8.747
  197   1HE   MET  27          1HE       MET  27   3.061   5.623 -12.706
  198   2HE   MET  27          2HE       MET  27   1.709   6.622 -12.120
  199   3HE   MET  27          3HE       MET  27   3.236   6.564 -11.207
  200    H    VAL  28           HN       VAL  28   0.847   1.258  -7.863
  201    HA   VAL  28           HA       VAL  28   3.455   0.907  -9.169
  202    HB   VAL  28           HB       VAL  28   3.889  -1.015  -8.020
  203   1HG1  VAL  28          1HG1      VAL  28   3.970  -0.402  -5.828
  204   2HG1  VAL  28          2HG1      VAL  28   3.404   1.147  -6.497
  205   3HG1  VAL  28          3HG1      VAL  28   2.241   0.016  -5.764
  206   1HG2  VAL  28          1HG2      VAL  28   2.051  -2.390  -8.443
  207   2HG2  VAL  28          2HG2      VAL  28   2.020  -2.215  -6.672
  208   3HG2  VAL  28          3HG2      VAL  28   0.904  -1.264  -7.680
  209    HA   PRO  29           HA       PRO  29   1.257  -1.052 -12.339
  210   1HB   PRO  29          2HB       PRO  29   2.720  -3.257 -13.016
  211   2HB   PRO  29          3HB       PRO  29   3.155  -1.633 -13.506
  212   1HG   PRO  29          2HG       PRO  29   4.379  -3.327 -11.415
  213   2HG   PRO  29          3HG       PRO  29   5.039  -1.908 -12.205
  214   1HD   PRO  29          2HD       PRO  29   3.927  -2.043  -9.564
  215   2HD   PRO  29          3HD       PRO  29   4.480  -0.603 -10.396
  216    H    TRP  30           HN       TRP  30  -0.762  -1.775 -12.183
  217    HA   TRP  30           HA       TRP  30  -1.004  -4.480 -11.112
  218   1HB   TRP  30          2HB       TRP  30  -1.399  -3.065  -9.197
  219   2HB   TRP  30          3HB       TRP  30  -2.539  -2.085 -10.096
  220    HD1  TRP  30           HD1      TRP  30  -4.994  -2.708  -9.493
  221    HE1  TRP  30           HE1      TRP  30  -6.380  -4.822  -8.736
  222    HE3  TRP  30           HE3      TRP  30  -1.079  -5.953  -9.565
  223    HZ2  TRP  30           HZ2      TRP  30  -5.699  -7.553  -8.263
  224    HZ3  TRP  30           HZ3      TRP  30  -1.526  -8.325  -8.942
  225    HH2  TRP  30           HH2      TRP  30  -3.740  -9.141  -8.307
  226    H    ASP  31           HN       ASP  31  -3.472  -5.158 -11.519
  227    HA   ASP  31           HA       ASP  31  -4.378  -3.882 -13.963
  228   1HB   ASP  31          2HB       ASP  31  -2.982  -6.160 -14.181
  229   2HB   ASP  31          3HB       ASP  31  -4.502  -6.893 -13.707
  230    H    GLY  32           HN       GLY  32  -5.731  -3.123 -11.871
  231   1HA   GLY  32          1HA       GLY  32  -8.206  -4.631 -11.909
  232   2HA   GLY  32          2HA       GLY  32  -7.383  -4.610 -10.362
  233    H    CYS  33           HN       CYS  33  -6.159  -1.906 -10.801
  234    HA   CYS  33           HA       CYS  33  -8.336  -0.408  -9.785
  235   1HB   CYS  33          2HB       CYS  33  -5.480  -0.180  -9.860
  236   2HB   CYS  33          3HB       CYS  33  -6.159   1.305 -10.497
  237    HG   CYS  33           HG       CYS  33  -8.136   1.109  -8.440
  238    H    LYS  34           HN       LYS  34  -8.785   1.885 -10.801
  239    HA   LYS  34           HA       LYS  34  -9.826   1.482 -13.362
  240   1HB   LYS  34          2HB       LYS  34 -10.230   3.266 -11.336
  241   2HB   LYS  34          3HB       LYS  34  -9.366   4.271 -12.481
  242   1HG   LYS  34          2HG       LYS  34 -11.095   3.030 -14.196
  243   2HG   LYS  34          3HG       LYS  34 -12.063   2.986 -12.736
  244   1HD   LYS  34          2HD       LYS  34 -12.361   5.271 -12.696
  245   2HD   LYS  34          3HD       LYS  34 -10.730   5.602 -13.247
  246   1HE   LYS  34          2HE       LYS  34 -12.238   6.297 -15.014
  247   2HE   LYS  34          3HE       LYS  34 -11.417   4.853 -15.572
  248   1HZ   LYS  34          1HZ       LYS  34 -14.064   5.172 -15.511
  249   2HZ   LYS  34          2HZ       LYS  34 -13.311   3.724 -15.573
  250   3HZ   LYS  34          3HZ       LYS  34 -13.825   4.317 -14.140
  251    H    ALA  35           HN       ALA  35  -6.667   2.536 -12.192
  252    HA   ALA  35           HA       ALA  35  -5.923   3.113 -14.980
  253   1HB   ALA  35          1HB       ALA  35  -5.335   5.109 -14.081
  254   2HB   ALA  35          2HB       ALA  35  -5.404   4.484 -12.416
  255   3HB   ALA  35          3HB       ALA  35  -3.948   4.223 -13.406
  256    H    GLY  36           HN       GLY  36  -6.156   0.460 -13.644
  257   1HA   GLY  36          1HA       GLY  36  -4.918  -1.377 -13.149
  258   2HA   GLY  36          2HA       GLY  36  -4.063  -0.902 -14.604
  259    H    GLN  37           HN       GLN  37  -4.212   0.476 -11.237
  260    HA   GLN  37           HA       GLN  37  -1.433  -0.181 -10.916
  261   1HB   GLN  37          2HB       GLN  37  -0.936   2.235 -10.201
  262   2HB   GLN  37          3HB       GLN  37  -1.099   1.952 -11.923
  263   1HG   GLN  37          2HG       GLN  37  -2.720   3.532 -11.989
  264   2HG   GLN  37          3HG       GLN  37  -3.737   2.487 -11.017
  265   1HE2  GLN  37          1HE2      GLN  37  -4.195   2.994  -8.977
  266   2HE2  GLN  37          2HE2      GLN  37  -3.566   4.349  -8.099
  267    H    ILE  38           HN       ILE  38  -1.218  -1.007  -8.883
  268    HA   ILE  38           HA       ILE  38  -3.309  -0.351  -6.960
  269    HB   ILE  38           HB       ILE  38  -2.608  -2.725  -7.658
  270   1HG1  ILE  38          2HG1      ILE  38  -2.585  -3.109  -4.886
  271   2HG1  ILE  38          3HG1      ILE  38  -3.434  -1.591  -5.104
  272   1HG2  ILE  38          1HG2      ILE  38  -0.792  -3.572  -6.010
  273   2HG2  ILE  38          2HG2      ILE  38  -0.296  -2.782  -7.525
  274   3HG2  ILE  38          3HG2      ILE  38  -0.253  -1.876  -5.993
  275   1HD1  ILE  38          1HD1      ILE  38  -5.101  -2.569  -6.492
  276   2HD1  ILE  38          2HD1      ILE  38  -4.100  -4.002  -6.829
  277   3HD1  ILE  38          3HD1      ILE  38  -4.829  -3.784  -5.219
  278    H    ALA  39           HN       ALA  39  -2.935   0.753  -5.063
  279    HA   ALA  39           HA       ALA  39  -0.506   2.247  -4.944
  280   1HB   ALA  39          1HB       ALA  39  -1.665   3.562  -3.462
  281   2HB   ALA  39          2HB       ALA  39  -3.054   2.742  -4.215
  282   3HB   ALA  39          3HB       ALA  39  -2.424   2.171  -2.651
  283    H    SER  40           HN       SER  40   1.334   1.116  -4.438
  284    HA   SER  40           HA       SER  40   1.279  -0.196  -1.861
  285   1HB   SER  40          2HB       SER  40   2.042  -1.485  -4.489
  286   2HB   SER  40          3HB       SER  40   2.855  -1.989  -3.021
  287    HG   SER  40           HG       SER  40   0.476  -2.152  -2.179
  288    H    SER  41           HN       SER  41   3.890  -1.059  -1.657
  289    HA   SER  41           HA       SER  41   5.359   1.395  -2.222
  290   1HB   SER  41          2HB       SER  41   4.880   0.147   0.233
  291   2HB   SER  41          3HB       SER  41   6.498  -0.393  -0.166
  292    HG   SER  41           HG       SER  41   5.932   2.371  -0.548
  293    HA   PRO  42           HA       PRO  42   7.504  -1.638  -4.703
  294   1HB   PRO  42          2HB       PRO  42   8.361   0.090  -6.639
  295   2HB   PRO  42          3HB       PRO  42   6.833  -0.764  -6.725
  296   1HG   PRO  42          2HG       PRO  42   7.334   2.080  -6.091
  297   2HG   PRO  42          3HG       PRO  42   5.840   1.314  -6.594
  298   1HD   PRO  42          2HD       PRO  42   6.535   2.142  -3.936
  299   2HD   PRO  42          3HD       PRO  42   5.091   1.272  -4.420
  300    H    ARG  43           HN       ARG  43   8.901   1.599  -4.377
  301    HA   ARG  43           HA       ARG  43  11.426   0.285  -3.924
  302   1HB   ARG  43          2HB       ARG  43  10.837   3.281  -4.113
  303   2HB   ARG  43          3HB       ARG  43  12.414   2.523  -4.218
  304   1HG   ARG  43          2HG       ARG  43  10.193   1.808  -6.171
  305   2HG   ARG  43          3HG       ARG  43  11.226   3.196  -6.443
  306   1HD   ARG  43          2HD       ARG  43  12.599   1.696  -7.501
  307   2HD   ARG  43          3HD       ARG  43  13.121   1.279  -5.881
  308    HE   ARG  43           HE       ARG  43  10.770  -0.232  -6.445
  309   1HH1  ARG  43          1HH1      ARG  43  12.364  -3.054  -7.738
  310   2HH1  ARG  43          2HH1      ARG  43  10.894  -2.426  -7.071
  311   1HH2  ARG  43          1HH2      ARG  43  14.207  -1.667  -7.998
  312   2HH2  ARG  43          2HH2      ARG  43  14.112  -0.004  -7.524
  313    H    THR  44           HN       THR  44  10.808  -0.552  -1.757
  314    HA   THR  44           HA       THR  44  10.304   1.450   0.290
  315    HB   THR  44           HB       THR  44  10.405  -1.609   0.231
  316    HG1  THR  44           1HG      THR  44   8.318   0.383   0.755
  317   1HG2  THR  44          1HG2      THR  44   8.956  -0.664   2.482
  318   2HG2  THR  44          2HG2      THR  44  10.508  -1.535   2.515
  319   3HG2  THR  44          3HG2      THR  44  10.488   0.244   2.506
  320    H    GLU  45           HN       GLU  45  12.863   1.545  -1.162
  321    HA   GLU  45           HA       GLU  45  14.874   0.338   0.263
  322   1HB   GLU  45          2HB       GLU  45  16.358   1.894  -0.827
  323   2HB   GLU  45          3HB       GLU  45  15.064   1.545  -1.956
  324   1HG   GLU  45          2HG       GLU  45  13.953   3.648  -1.480
  325   2HG   GLU  45          3HG       GLU  45  14.973   3.951  -0.088
  326    H    ASP  46           HN       ASP  46  12.748   2.971   1.133
  327    HA   ASP  46           HA       ASP  46  14.318   3.298   3.553
  328   1HB   ASP  46          2HB       ASP  46  13.386   5.406   1.620
  329   2HB   ASP  46          3HB       ASP  46  13.256   5.792   3.324
  330    H    CYS  47           HN       CYS  47  12.890   2.431   5.081
  331    HA   CYS  47           HA       CYS  47  10.652   3.628   5.921
  332   1HB   CYS  47          2HB       CYS  47   9.311   3.420   4.052
  333   2HB   CYS  47          3HB       CYS  47  10.007   1.886   3.570
  334    H    VAL  48           HN       VAL  48  11.591   2.827   7.867
  335    HA   VAL  48           HA       VAL  48  11.813  -0.068   8.122
  336    HB   VAL  48           HB       VAL  48  12.941   0.509  10.254
  337   1HG1  VAL  48          1HG1      VAL  48  14.661   0.234   8.838
  338   2HG1  VAL  48          2HG1      VAL  48  13.866   1.167   7.548
  339   3HG1  VAL  48          3HG1      VAL  48  14.770   2.010   8.828
  340   1HG2  VAL  48          1HG2      VAL  48  13.506   2.776  10.814
  341   2HG2  VAL  48          2HG2      VAL  48  12.777   3.389   9.311
  342   3HG2  VAL  48          3HG2      VAL  48  11.743   2.695  10.583
  343    H    GLY  49           HN       GLY  49   9.208   0.475   7.771
  344   1HA   GLY  49          1HA       GLY  49   7.155   0.445   8.701
  345   2HA   GLY  49          2HA       GLY  49   7.901  -0.570   9.918
  346    H    CYS  50           HN       CYS  50   7.972   2.967   9.041
  347    HA   CYS  50           HA       CYS  50   8.188   3.670  11.796
  348   1HB   CYS  50          2HB       CYS  50   8.651   5.790  11.071
  349   2HB   CYS  50          3HB       CYS  50   9.085   4.897   9.628
  350    H    LYS  51           HN       LYS  51   6.541   4.746  13.064
  351    HA   LYS  51           HA       LYS  51   3.950   3.780  12.644
  352   1HB   LYS  51          2HB       LYS  51   5.082   4.420  14.830
  353   2HB   LYS  51          3HB       LYS  51   4.744   6.091  14.428
  354   1HG   LYS  51          2HG       LYS  51   2.591   5.879  15.108
  355   2HG   LYS  51          3HG       LYS  51   2.331   4.540  14.010
  356   1HD   LYS  51          2HD       LYS  51   3.349   2.976  15.689
  357   2HD   LYS  51          3HD       LYS  51   3.578   4.319  16.791
  358   1HE   LYS  51          2HE       LYS  51   0.807   4.174  15.785
  359   2HE   LYS  51          3HE       LYS  51   1.288   2.701  16.604
  360   1HZ   LYS  51          1HZ       LYS  51   0.378   4.631  17.966
  361   2HZ   LYS  51          2HZ       LYS  51   1.685   3.838  18.541
  362   3HZ   LYS  51          3HZ       LYS  51   1.865   5.291  17.816
  363    H    ARG  52           HN       ARG  52   2.964   4.311  10.719
  364    HA   ARG  52           HA       ARG  52   1.625   6.628  10.521
  365   1HB   ARG  52          2HB       ARG  52   4.415   6.940   9.601
  366   2HB   ARG  52          3HB       ARG  52   3.264   7.350   8.345
  367   1HG   ARG  52          2HG       ARG  52   2.640   8.427  11.067
  368   2HG   ARG  52          3HG       ARG  52   4.069   9.093  10.303
  369   1HD   ARG  52          2HD       ARG  52   2.723   9.662   8.270
  370   2HD   ARG  52          3HD       ARG  52   1.293   8.983   9.023
  371    HE   ARG  52           HE       ARG  52   2.588  11.542   9.701
  372   1HH1  ARG  52          1HH1      ARG  52   0.118  12.321  12.039
  373   2HH1  ARG  52          2HH1      ARG  52   1.470  12.922  11.139
  374   1HH2  ARG  52          1HH2      ARG  52  -0.558  10.116  11.785
  375   2HH2  ARG  52          2HH2      ARG  52   0.289   9.070  10.695
  376    H    CYS  53           HN       CYS  53   0.415   4.541   9.953
  377    HA   CYS  53           HA       CYS  53  -0.245   4.479   7.305
  378   1HB   CYS  53          2HB       CYS  53   0.773   2.015   6.931
  379   2HB   CYS  53          3HB       CYS  53   1.557   3.477   6.367
  380    H    GLU  54           HN       GLU  54   0.544   1.536   9.252
  381    HA   GLU  54           HA       GLU  54  -0.825  -0.078   9.885
  382   1HB   GLU  54          2HB       GLU  54  -2.114   0.528  11.890
  383   2HB   GLU  54          3HB       GLU  54  -0.574   1.365  11.884
  384   1HG   GLU  54          2HG       GLU  54  -1.752   3.380  10.857
  385   2HG   GLU  54          3HG       GLU  54  -3.274   2.538  11.074
  386    H    THR  55           HN       THR  55  -1.709   1.132   7.366
  387    HA   THR  55           HA       THR  55  -4.621   0.773   7.655
  388    HB   THR  55           HB       THR  55  -4.339   2.158   5.322
  389    HG1  THR  55           1HG      THR  55  -2.549   3.743   6.006
  390   1HG2  THR  55          1HG2      THR  55  -3.932   3.853   7.772
  391   2HG2  THR  55          2HG2      THR  55  -5.142   4.014   6.475
  392   3HG2  THR  55          3HG2      THR  55  -5.373   2.807   7.763
  393    H    ALA  56           HN       ALA  56  -2.311   0.719   4.872
  394    HA   ALA  56           HA       ALA  56  -2.061  -0.757   3.241
  395   1HB   ALA  56          1HB       ALA  56  -2.271  -3.263   4.161
  396   2HB   ALA  56          2HB       ALA  56  -0.899  -2.215   4.596
  397   3HB   ALA  56          3HB       ALA  56  -2.257  -2.420   5.729
  398    H    CYS  57           HN       CYS  57  -4.344  -2.932   4.938
  399    HA   CYS  57           HA       CYS  57  -6.672  -2.070   3.730
  400   1HB   CYS  57          2HB       CYS  57  -4.988  -3.290   1.816
  401   2HB   CYS  57          3HB       CYS  57  -6.213  -4.484   2.197
  402    HA   PRO  58           HA       PRO  58  -7.999  -5.243   6.403
  403   1HB   PRO  58          2HB       PRO  58 -10.490  -5.871   5.468
  404   2HB   PRO  58          3HB       PRO  58 -10.162  -4.454   6.446
  405   1HG   PRO  58          2HG       PRO  58 -10.681  -4.622   3.541
  406   2HG   PRO  58          3HG       PRO  58 -10.775  -3.224   4.594
  407   1HD   PRO  58          2HD       PRO  58  -8.672  -3.841   2.743
  408   2HD   PRO  58          3HD       PRO  58  -8.711  -2.507   3.878
  409    H    THR  59           HN       THR  59  -9.506  -7.509   6.235
  410    HA   THR  59           HA       THR  59  -7.580  -9.228   4.982
  411    HB   THR  59           HB       THR  59 -10.210  -9.676   6.487
  412    HG1  THR  59           1HG      THR  59  -8.088  -8.753   7.434
  413   1HG2  THR  59          1HG2      THR  59 -10.042 -11.877   5.896
  414   2HG2  THR  59          2HG2      THR  59  -8.573 -11.545   4.948
  415   3HG2  THR  59          3HG2      THR  59  -8.447 -11.911   6.685
  416    H    ASP  60           HN       ASP  60 -10.272  -7.472   3.853
  417    HA   ASP  60           HA       ASP  60 -11.614  -9.149   2.257
  418   1HB   ASP  60          2HB       ASP  60 -11.013  -6.305   2.334
  419   2HB   ASP  60          3HB       ASP  60 -11.039  -6.833   0.664
  420    H    PHE  61           HN       PHE  61  -8.248  -8.103   2.039
  421    HA   PHE  61           HA       PHE  61  -7.900  -9.816  -0.283
  422   1HB   PHE  61          2HB       PHE  61  -8.042  -6.979  -0.400
  423   2HB   PHE  61          3HB       PHE  61  -6.320  -7.291  -0.332
  424    HD1  PHE  61           1HD      PHE  61  -8.971  -6.813  -2.496
  425    HD2  PHE  61           2HD      PHE  61  -5.578  -9.308  -1.981
  426    HE1  PHE  61           1HE      PHE  61  -8.965  -7.311  -4.956
  427    HE2  PHE  61           2HE      PHE  61  -5.571  -9.806  -4.441
  428    HZ   PHE  61           HZ       PHE  61  -7.265  -8.802  -5.899
  429    H    LEU  62           HN       LEU  62  -6.019  -7.401   1.692
  430    HA   LEU  62           HA       LEU  62  -3.818  -9.249   1.814
  431   1HB   LEU  62          2HB       LEU  62  -3.014  -7.146   1.581
  432   2HB   LEU  62          3HB       LEU  62  -4.327  -6.406   2.473
  433    HG   LEU  62           HG       LEU  62  -3.057  -7.788   4.466
  434   1HD1  LEU  62          1HD1      LEU  62  -0.766  -7.826   4.256
  435   2HD1  LEU  62          2HD1      LEU  62  -1.275  -8.269   2.608
  436   3HD1  LEU  62          3HD1      LEU  62  -0.750  -6.606   2.960
  437   1HD2  LEU  62          1HD2      LEU  62  -1.830  -5.207   4.245
  438   2HD2  LEU  62          2HD2      LEU  62  -3.525  -5.098   3.714
  439   3HD2  LEU  62          3HD2      LEU  62  -3.138  -5.747   5.326
  440    H    SER  63           HN       SER  63  -3.516 -10.775   3.344
  441    HA   SER  63           HA       SER  63  -4.234 -10.275   6.018
  442   1HB   SER  63          2HB       SER  63  -5.991 -11.871   6.340
  443   2HB   SER  63          3HB       SER  63  -6.475 -10.890   4.972
  444    HG   SER  63           HG       SER  63  -6.652 -13.344   4.805
  445    H    ILE  64           HN       ILE  64  -1.822 -10.890   4.656
  446    HA   ILE  64           HA       ILE  64  -1.350 -13.637   5.587
  447    HB   ILE  64           HB       ILE  64  -0.155 -12.203   3.215
  448   1HG1  ILE  64          2HG1      ILE  64  -1.376 -14.815   2.773
  449   2HG1  ILE  64          3HG1      ILE  64  -2.523 -13.667   3.431
  450   1HG2  ILE  64          1HG2      ILE  64   1.517 -13.547   4.467
  451   2HG2  ILE  64          2HG2      ILE  64   0.487 -14.980   4.238
  452   3HG2  ILE  64          3HG2      ILE  64   1.193 -14.158   2.827
  453   1HD1  ILE  64          1HD1      ILE  64  -0.769 -12.542   1.310
  454   2HD1  ILE  64          2HD1      ILE  64  -1.858 -13.841   0.766
  455   3HD1  ILE  64          3HD1      ILE  64  -2.528 -12.382   1.537
  456    H    ARG  65           HN       ARG  65   1.126 -11.374   4.408
  457    HA   ARG  65           HA       ARG  65   2.358 -11.554   6.977
  458   1HB   ARG  65          2HB       ARG  65   3.157 -10.556   4.239
  459   2HB   ARG  65          3HB       ARG  65   4.061  -9.961   5.618
  460   1HG   ARG  65          2HG       ARG  65   5.304 -11.864   5.328
  461   2HG   ARG  65          3HG       ARG  65   4.007 -12.633   6.221
  462   1HD   ARG  65          2HD       ARG  65   3.690 -13.978   4.413
  463   2HD   ARG  65          3HD       ARG  65   3.034 -12.582   3.581
  464    HE   ARG  65           HE       ARG  65   5.922 -12.545   3.462
  465   1HH1  ARG  65          1HH1      ARG  65   6.118 -13.903   0.254
  466   2HH1  ARG  65          2HH1      ARG  65   6.973 -13.052   1.498
  467   1HH2  ARG  65          1HH2      ARG  65   3.906 -14.525   0.583
  468   2HH2  ARG  65          2HH2      ARG  65   3.111 -14.139   2.073
  469    H    VAL  66           HN       VAL  66   2.165 -10.005   8.573
  470    HA   VAL  66           HA       VAL  66   1.730  -7.248   7.782
  471    HB   VAL  66           HB       VAL  66  -0.205  -6.977   9.202
  472   1HG1  VAL  66          1HG1      VAL  66  -0.417  -7.704   6.769
  473   2HG1  VAL  66          2HG1      VAL  66  -0.776  -9.334   7.387
  474   3HG1  VAL  66          3HG1      VAL  66  -1.843  -7.969   7.800
  475   1HG2  VAL  66          1HG2      VAL  66   0.598  -9.504  10.273
  476   2HG2  VAL  66          2HG2      VAL  66  -0.682  -8.407  10.842
  477   3HG2  VAL  66          3HG2      VAL  66  -1.057  -9.666   9.641
  478    H    TYR  67           HN       TYR  67   2.788  -5.844   9.144
  479    HA   TYR  67           HA       TYR  67   3.443  -6.687  11.822
  480   1HB   TYR  67          2HB       TYR  67   5.678  -5.829   9.926
  481   2HB   TYR  67          3HB       TYR  67   5.829  -6.741  11.415
  482    HD1  TYR  67           HD1      TYR  67   5.558  -6.931   7.838
  483    HD2  TYR  67           HD2      TYR  67   4.987  -9.167  11.441
  484    HE1  TYR  67           HE1      TYR  67   5.634  -9.099   6.513
  485    HE2  TYR  67           HE2      TYR  67   5.064 -11.328  10.102
  486    HH   TYR  67           HH       TYR  67   5.588 -12.218   8.156
  487    H    LEU  68           HN       LEU  68   3.083  -4.921  13.061
  488    HA   LEU  68           HA       LEU  68   3.020  -2.336  11.793
  489   1HB   LEU  68          2HB       LEU  68   2.068  -3.568  14.293
  490   2HB   LEU  68          3HB       LEU  68   2.590  -1.902  14.451
  491    HG   LEU  68           HG       LEU  68   0.465  -2.947  12.561
  492   1HD1  LEU  68          1HD1      LEU  68  -0.467  -2.930  14.713
  493   2HD1  LEU  68          2HD1      LEU  68   0.355  -1.415  15.158
  494   3HD1  LEU  68          3HD1      LEU  68  -0.982  -1.389  13.983
  495   1HD2  LEU  68          1HD2      LEU  68   0.638  -1.101  11.349
  496   2HD2  LEU  68          2HD2      LEU  68   0.478  -0.088  12.804
  497   3HD2  LEU  68          3HD2      LEU  68   2.085  -0.648  12.282
  498    H    GLY  69           HN       GLY  69   5.473  -2.831  11.265
  499   1HA   GLY  69          1HA       GLY  69   7.676  -2.536  11.744
  500   2HA   GLY  69          2HA       GLY  69   7.086  -0.989  12.320
  501    H    ALA  70           HN       ALA  70   7.098  -4.436  13.504
  502    HA   ALA  70           HA       ALA  70   7.877  -3.370  16.128
  503   1HB   ALA  70          1HB       ALA  70   6.082  -4.554  16.805
  504   2HB   ALA  70          2HB       ALA  70   5.923  -5.352  15.222
  505   3HB   ALA  70          3HB       ALA  70   7.031  -6.016  16.445
  506    H    GLU  71           HN       GLU  71   8.357  -6.113  13.801
  507    HA   GLU  71           HA       GLU  71  10.897  -6.599  15.123
  508   1HB   GLU  71          2HB       GLU  71   8.921  -8.357  14.310
  509   2HB   GLU  71          3HB       GLU  71  10.037  -8.447  12.961
  510   1HG   GLU  71          2HG       GLU  71  10.757 -10.121  14.531
  511   2HG   GLU  71          3HG       GLU  71  11.919  -8.816  14.651
  512    H    THR  72           HN       THR  72   9.593  -6.701  11.720
  513    HA   THR  72           HA       THR  72  10.637  -6.302   9.775
  514    HB   THR  72           HB       THR  72  11.459  -3.905   9.669
  515    HG1  THR  72           1HG      THR  72  11.908  -2.952  11.653
  516   1HG2  THR  72          1HG2      THR  72   9.394  -2.841  10.319
  517   2HG2  THR  72          2HG2      THR  72   8.927  -4.485   9.820
  518   3HG2  THR  72          3HG2      THR  72   9.059  -4.083  11.549
  519    H    THR  73           HN       THR  73  12.073  -8.224  10.942
  520    HA   THR  73           HA       THR  73  14.775  -7.487  10.141
  521    HB   THR  73           HB       THR  73  14.705  -7.080  12.595
  522    HG1  THR  73           1HG      THR  73  16.524  -8.234  11.448
  523   1HG2  THR  73          1HG2      THR  73  12.831  -9.007  12.846
  524   2HG2  THR  73          2HG2      THR  73  14.270 -10.032  13.061
  525   3HG2  THR  73          3HG2      THR  73  13.979  -8.665  14.163
  526    H    ARG  74           HN       ARG  74  12.473 -10.043  11.230
  527    HA   ARG  74           HA       ARG  74  14.001 -11.879   9.586
  528   1HB   ARG  74          2HB       ARG  74  12.877 -13.674  10.814
  529   2HB   ARG  74          3HB       ARG  74  13.489 -12.516  11.977
  530   1HG   ARG  74          2HG       ARG  74  11.086 -11.409  11.731
  531   2HG   ARG  74          3HG       ARG  74  10.628 -12.976  11.094
  532   1HD   ARG  74          2HD       ARG  74  12.234 -13.090  13.606
  533   2HD   ARG  74          3HD       ARG  74  10.665 -12.330  13.783
  534    HE   ARG  74           HE       ARG  74  11.166 -15.148  13.318
  535   1HH1  ARG  74          1HH1      ARG  74   7.815 -15.935  12.749
  536   2HH1  ARG  74          2HH1      ARG  74   9.389 -16.567  13.096
  537   1HH2  ARG  74          1HH2      ARG  74   7.510 -13.646  12.508
  538   2HH2  ARG  74          2HH2      ARG  74   8.857 -12.571  12.676
  539    H    SER  75           HN       SER  75  11.065 -10.010   9.757
  540    HA   SER  75           HA       SER  75   9.892 -11.658   7.660
  541   1HB   SER  75          2HB       SER  75   7.758 -10.957   8.354
  542   2HB   SER  75          3HB       SER  75   8.620 -11.109   9.872
  543    HG   SER  75           HG       SER  75   9.135  -8.697   9.491
  544    H    MET  76           HN       MET  76  11.756  -8.901   8.186
  545    HA   MET  76           HA       MET  76  10.586  -6.943   6.697
  546   1HB   MET  76          2HB       MET  76  13.226  -7.635   7.740
  547   2HB   MET  76          3HB       MET  76  13.418  -6.954   6.138
  548   1HG   MET  76          2HG       MET  76  11.636  -5.592   8.193
  549   2HG   MET  76          3HG       MET  76  13.368  -5.324   8.195
  550   1HE   MET  76          1HE       MET  76  14.189  -3.377   5.153
  551   2HE   MET  76          2HE       MET  76  14.156  -3.031   6.899
  552   3HE   MET  76          3HE       MET  76  14.716  -4.617   6.316
  553    H    GLY  77           HN       GLY  77  12.777  -9.614   5.586
  554   1HA   GLY  77          1HA       GLY  77  11.791 -10.493   3.373
  555   2HA   GLY  77          2HA       GLY  77  12.176  -8.883   2.800
  556    H    LEU  78           HN       LEU  78  13.994 -10.948   5.155
  557    HA   LEU  78           HA       LEU  78  16.265 -10.794   3.300
  558   1HB   LEU  78          2HB       LEU  78  16.572 -11.360   6.218
  559   2HB   LEU  78          3HB       LEU  78  17.709 -10.649   5.089
  560    HG   LEU  78           HG       LEU  78  15.351  -9.345   6.447
  561   1HD1  LEU  78          1HD1      LEU  78  17.409  -7.635   6.722
  562   2HD1  LEU  78          2HD1      LEU  78  17.070  -8.959   7.863
  563   3HD1  LEU  78          3HD1      LEU  78  18.309  -9.167   6.602
  564   1HD2  LEU  78          1HD2      LEU  78  15.092  -7.771   4.885
  565   2HD2  LEU  78          2HD2      LEU  78  16.845  -7.614   4.619
  566   3HD2  LEU  78          3HD2      LEU  78  15.930  -8.895   3.789
  567    H    ALA  79           HN       ALA  79  15.160 -12.908   6.046
  568    HA   ALA  79           HA       ALA  79  16.210 -15.195   4.622
  569   1HB   ALA  79          1HB       ALA  79  14.681 -15.577   7.133
  570   2HB   ALA  79          2HB       ALA  79  16.304 -16.149   6.684
  571   3HB   ALA  79          3HB       ALA  79  16.078 -14.483   7.268
  572    H    TYR  80           HN       TYR  80  13.067 -13.746   5.592
  573    HA   TYR  80           HA       TYR  80  11.280 -15.667   5.216
  574   1HB   TYR  80          2HB       TYR  80   9.831 -13.827   4.701
  575   2HB   TYR  80          3HB       TYR  80  11.200 -12.998   5.415
  576    HD1  TYR  80           HD1      TYR  80   8.989 -12.161   3.249
  577    HD2  TYR  80           HD2      TYR  80  13.134 -13.208   3.082
  578    HE1  TYR  80           HE1      TYR  80   9.260 -10.778   1.134
  579    HE2  TYR  80           HE2      TYR  80  13.391 -11.820   0.967
  580    HH   TYR  80           HH       TYR  80  12.354 -10.029  -0.144
  Start of MODEL   21
    1    H    SER   1           HN       SER   1  -5.845  -8.141  10.848
    2    HA   SER   1           HA       SER   1  -5.245  -7.112   8.197
    3   1HB   SER   1          2HB       SER   1  -5.149  -4.911   9.218
    4   2HB   SER   1          3HB       SER   1  -6.626  -5.694   9.740
    5    HG   SER   1           HG       SER   1  -4.253  -5.929  11.340
    6    H    HIS   2           HN       HIS   2  -3.303  -5.157   9.596
    7    HA   HIS   2           HA       HIS   2  -1.192  -5.032  10.227
    8   1HB   HIS   2          2HB       HIS   2  -1.104  -8.026  10.645
    9   2HB   HIS   2          3HB       HIS   2  -0.043  -6.812  11.334
   10    HD1  HIS   2           HD1      HIS   2  -1.267  -5.087  13.091
   11    HD2  HIS   2           HD2      HIS   2  -3.282  -8.658  12.202
   12    HE1  HIS   2           HE1      HIS   2  -2.998  -5.409  14.936
   13    H    SER   3           HN       SER   3   1.052  -5.569   9.370
   14    HA   SER   3           HA       SER   3   2.429  -5.950   7.734
   15   1HB   SER   3          2HB       SER   3   2.384  -7.991   6.678
   16   2HB   SER   3          3HB       SER   3   1.123  -8.306   7.855
   17    HG   SER   3           HG       SER   3   0.789  -8.651   5.350
   18    H    VAL   4           HN       VAL   4   2.769  -5.529   5.322
   19    HA   VAL   4           HA       VAL   4   0.467  -4.209   4.098
   20    HB   VAL   4           HB       VAL   4   3.190  -3.008   4.609
   21   1HG1  VAL   4          1HG1      VAL   4   1.739  -1.063   3.304
   22   2HG1  VAL   4          2HG1      VAL   4   3.014  -2.068   2.574
   23   3HG1  VAL   4          3HG1      VAL   4   1.305  -2.535   2.403
   24   1HG2  VAL   4          1HG2      VAL   4   1.912  -2.471   6.456
   25   2HG2  VAL   4          2HG2      VAL   4   1.550  -1.098   5.383
   26   3HG2  VAL   4          3HG2      VAL   4   0.390  -2.440   5.533
   27    H    LYS   5           HN       LYS   5   3.875  -5.384   3.789
   28    HA   LYS   5           HA       LYS   5   4.994  -6.091   1.988
   29   1HB   LYS   5          2HB       LYS   5   3.305  -7.950   2.853
   30   2HB   LYS   5          3HB       LYS   5   2.616  -7.758   1.255
   31   1HG   LYS   5          2HG       LYS   5   5.379  -7.838   0.755
   32   2HG   LYS   5          3HG       LYS   5   5.173  -8.997   2.052
   33   1HD   LYS   5          2HD       LYS   5   3.020  -9.601   0.393
   34   2HD   LYS   5          3HD       LYS   5   4.249  -9.134  -0.766
   35   1HE   LYS   5          2HE       LYS   5   5.848 -10.721   0.548
   36   2HE   LYS   5          3HE       LYS   5   4.406 -11.342   1.325
   37   1HZ   LYS   5          1HZ       LYS   5   3.641 -12.192  -0.630
   38   2HZ   LYS   5          2HZ       LYS   5   4.472 -11.153  -1.577
   39   3HZ   LYS   5          3HZ       LYS   5   5.248 -12.389  -0.845
   40    H    ILE   6           HN       ILE   6   4.080  -7.039  -0.576
   41    HA   ILE   6           HA       ILE   6   3.115  -4.498  -1.693
   42    HB   ILE   6           HB       ILE   6   5.103  -6.476  -2.809
   43   1HG1  ILE   6          2HG1      ILE   6   6.487  -4.252  -2.799
   44   2HG1  ILE   6          3HG1      ILE   6   5.329  -3.737  -1.588
   45   1HG2  ILE   6          1HG2      ILE   6   4.968  -5.544  -4.853
   46   2HG2  ILE   6          2HG2      ILE   6   3.321  -5.116  -4.330
   47   3HG2  ILE   6          3HG2      ILE   6   4.632  -3.917  -4.213
   48   1HD1  ILE   6          1HD1      ILE   6   5.916  -5.515  -0.094
   49   2HD1  ILE   6          2HD1      ILE   6   6.769  -6.409  -1.376
   50   3HD1  ILE   6          3HD1      ILE   6   7.464  -4.904  -0.727
   51    H    TYR   7           HN       TYR   7   0.932  -5.453  -1.213
   52    HA   TYR   7           HA       TYR   7   0.245  -7.561  -3.137
   53   1HB   TYR   7          2HB       TYR   7  -0.863  -6.423  -0.515
   54   2HB   TYR   7          3HB       TYR   7  -1.910  -7.374  -1.550
   55    HD1  TYR   7           HD1      TYR   7   0.203  -7.539   1.213
   56    HD2  TYR   7           HD2      TYR   7  -0.759  -9.703  -2.351
   57    HE1  TYR   7           HE1      TYR   7   1.098  -9.676   2.260
   58    HE2  TYR   7           HE2      TYR   7   0.141 -11.832  -1.293
   59    HH   TYR   7           HH       TYR   7   2.089 -11.846   1.347
   60    H    ASP   8           HN       ASP   8  -1.964  -7.352  -4.167
   61    HA   ASP   8           HA       ASP   8  -2.160  -4.690  -5.200
   62   1HB   ASP   8          2HB       ASP   8  -3.859  -5.726  -6.736
   63   2HB   ASP   8          3HB       ASP   8  -2.306  -6.537  -6.779
   64    H    THR   9           HN       THR   9  -2.853  -4.773  -2.453
   65    HA   THR   9           HA       THR   9  -5.736  -5.046  -2.262
   66    HB   THR   9           HB       THR   9  -4.182  -5.862  -0.464
   67    HG1  THR   9           1HG      THR   9  -5.786  -5.150   0.901
   68   1HG2  THR   9          1HG2      THR   9  -3.748  -3.008   0.403
   69   2HG2  THR   9          2HG2      THR   9  -2.758  -4.450   0.735
   70   3HG2  THR   9          3HG2      THR   9  -2.660  -3.650  -0.852
   71    H    CYS  10           HN       CYS  10  -6.710  -3.478  -3.505
   72    HA   CYS  10           HA       CYS  10  -6.716  -0.891  -2.332
   73   1HB   CYS  10          2HB       CYS  10  -4.653  -0.937  -3.913
   74   2HB   CYS  10          3HB       CYS  10  -5.825  -0.905  -5.216
   75    H    ILE  11           HN       ILE  11  -8.903  -0.505  -2.339
   76    HA   ILE  11           HA       ILE  11 -10.454  -1.665  -4.534
   77    HB   ILE  11           HB       ILE  11 -12.268  -1.782  -3.107
   78   1HG1  ILE  11          2HG1      ILE  11 -12.139   0.571  -2.318
   79   2HG1  ILE  11          3HG1      ILE  11 -12.584  -0.572  -1.066
   80   1HG2  ILE  11          1HG2      ILE  11 -10.796  -3.488  -2.449
   81   2HG2  ILE  11          2HG2      ILE  11  -9.727  -2.356  -1.585
   82   3HG2  ILE  11          3HG2      ILE  11 -11.335  -2.737  -0.926
   83   1HD1  ILE  11          1HD1      ILE  11  -9.992   0.931  -1.432
   84   2HD1  ILE  11          2HD1      ILE  11 -10.956   0.686   0.044
   85   3HD1  ILE  11          3HD1      ILE  11  -9.963  -0.642  -0.602
   86    H    GLY  12           HN       GLY  12  -9.192   1.296  -3.221
   87   1HA   GLY  12          1HA       GLY  12  -9.255   3.157  -4.791
   88   2HA   GLY  12          2HA       GLY  12 -10.955   2.818  -5.047
   89    H    CYS  13           HN       CYS  13  -8.882   3.052  -2.064
   90    HA   CYS  13           HA       CYS  13 -10.846   4.986  -1.067
   91   1HB   CYS  13          2HB       CYS  13 -10.911   3.955   0.933
   92   2HB   CYS  13          3HB       CYS  13 -10.296   2.566   0.059
   93    H    THR  14           HN       THR  14  -9.689   6.429   0.751
   94    HA   THR  14           HA       THR  14  -7.089   7.246  -0.373
   95    HB   THR  14           HB       THR  14  -7.754   9.502   0.061
   96    HG1  THR  14           1HG      THR  14  -9.724   8.103   1.721
   97   1HG2  THR  14          1HG2      THR  14 -10.583   8.626  -0.288
   98   2HG2  THR  14          2HG2      THR  14  -9.615   9.737  -1.285
   99   3HG2  THR  14          3HG2      THR  14  -9.460   7.978  -1.507
  100    H    GLN  15           HN       GLN  15  -6.248   5.432   1.034
  101    HA   GLN  15           HA       GLN  15  -5.342   6.651   3.432
  102   1HB   GLN  15          2HB       GLN  15  -6.488   5.486   5.020
  103   2HB   GLN  15          3HB       GLN  15  -7.678   5.254   3.755
  104   1HG   GLN  15          2HG       GLN  15  -6.184   3.160   3.100
  105   2HG   GLN  15          3HG       GLN  15  -5.554   3.323   4.728
  106   1HE2  GLN  15          1HE2      GLN  15  -6.504   1.178   4.943
  107   2HE2  GLN  15          2HE2      GLN  15  -8.165   1.013   5.402
  108    H    CYS  16           HN       CYS  16  -3.419   5.613   4.253
  109    HA   CYS  16           HA       CYS  16  -1.754   4.125   4.287
  110   1HB   CYS  16          2HB       CYS  16  -1.975   2.022   3.514
  111   2HB   CYS  16          3HB       CYS  16  -3.632   2.491   3.186
  112    H    VAL  17           HN       VAL  17  -2.981   5.011   0.984
  113    HA   VAL  17           HA       VAL  17  -0.317   5.368  -0.011
  114    HB   VAL  17           HB       VAL  17  -2.893   6.273  -1.284
  115   1HG1  VAL  17          1HG1      VAL  17  -1.697   5.781  -3.374
  116   2HG1  VAL  17          2HG1      VAL  17  -0.811   6.964  -2.383
  117   3HG1  VAL  17          3HG1      VAL  17  -0.270   5.269  -2.440
  118   1HG2  VAL  17          1HG2      VAL  17  -1.770   3.468  -1.084
  119   2HG2  VAL  17          2HG2      VAL  17  -3.398   4.042  -0.648
  120   3HG2  VAL  17          3HG2      VAL  17  -2.908   3.966  -2.358
  121    H    ARG  18           HN       ARG  18  -2.570   7.204   1.860
  122    HA   ARG  18           HA       ARG  18  -1.239   9.651   1.032
  123   1HB   ARG  18          2HB       ARG  18  -3.996   8.998   1.724
  124   2HB   ARG  18          3HB       ARG  18  -3.407  10.236   2.814
  125   1HG   ARG  18          2HG       ARG  18  -4.206  11.526   1.020
  126   2HG   ARG  18          3HG       ARG  18  -2.499  11.408   0.640
  127   1HD   ARG  18          2HD       ARG  18  -3.759   9.085  -0.489
  128   2HD   ARG  18          3HD       ARG  18  -4.763  10.460  -0.908
  129    HE   ARG  18           HE       ARG  18  -2.096   9.899  -1.917
  130   1HH1  ARG  18          1HH1      ARG  18  -1.782  12.970  -3.544
  131   2HH1  ARG  18          2HH1      ARG  18  -1.145  11.367  -3.388
  132   1HH2  ARG  18          1HH2      ARG  18  -3.600  13.628  -2.261
  133   2HH2  ARG  18          2HH2      ARG  18  -4.321  12.514  -1.146
  134    H    ALA  19           HN       ALA  19  -2.437   7.800   3.917
  135    HA   ALA  19           HA       ALA  19  -1.527   9.346   5.940
  136   1HB   ALA  19          1HB       ALA  19  -0.893   6.618   6.558
  137   2HB   ALA  19          2HB       ALA  19  -2.324   7.560   7.041
  138   3HB   ALA  19          3HB       ALA  19  -2.340   6.631   5.523
  139    H    CYS  20           HN       CYS  20   0.392   6.657   4.406
  140    HA   CYS  20           HA       CYS  20   2.717   6.951   5.657
  141   1HB   CYS  20          2HB       CYS  20   2.342   5.280   3.919
  142   2HB   CYS  20          3HB       CYS  20   2.341   6.517   2.677
  143    HA   PRO  21           HA       PRO  21   3.455  11.229   4.650
  144   1HB   PRO  21          2HB       PRO  21   5.036  11.792   6.808
  145   2HB   PRO  21          3HB       PRO  21   3.291  11.959   6.828
  146   1HG   PRO  21          2HG       PRO  21   4.967   9.856   8.057
  147   2HG   PRO  21          3HG       PRO  21   3.303  10.280   8.409
  148   1HD   PRO  21          2HD       PRO  21   4.214   8.028   6.884
  149   2HD   PRO  21          3HD       PRO  21   2.551   8.517   7.139
  150    H    LEU  22           HN       LEU  22   5.787   8.779   5.453
  151    HA   LEU  22           HA       LEU  22   8.003  10.200   4.454
  152   1HB   LEU  22          2HB       LEU  22   7.388   7.549   5.495
  153   2HB   LEU  22          3HB       LEU  22   8.564   7.494   4.197
  154    HG   LEU  22           HG       LEU  22   9.345   9.612   5.928
  155   1HD1  LEU  22          1HD1      LEU  22   8.504   9.014   7.912
  156   2HD1  LEU  22          2HD1      LEU  22   8.072   7.382   7.350
  157   3HD1  LEU  22          3HD1      LEU  22   9.735   7.729   7.884
  158   1HD2  LEU  22          1HD2      LEU  22  10.648   7.920   4.436
  159   2HD2  LEU  22          2HD2      LEU  22  11.391   8.537   5.931
  160   3HD2  LEU  22          3HD2      LEU  22  10.662   6.913   5.903
  161    H    ASP  23           HN       ASP  23   5.298   8.599   2.948
  162    HA   ASP  23           HA       ASP  23   4.719   8.429   0.860
  163   1HB   ASP  23          2HB       ASP  23   7.361   9.717   0.043
  164   2HB   ASP  23          3HB       ASP  23   5.905   9.613  -0.927
  165    H    VAL  24           HN       VAL  24   5.716   6.159   1.938
  166    HA   VAL  24           HA       VAL  24   7.958   5.183   0.402
  167    HB   VAL  24           HB       VAL  24   6.183   3.730   2.368
  168   1HG1  VAL  24          1HG1      VAL  24   8.999   2.988   2.287
  169   2HG1  VAL  24          2HG1      VAL  24   7.546   1.974   2.114
  170   3HG1  VAL  24          3HG1      VAL  24   8.224   2.807   0.694
  171   1HG2  VAL  24          1HG2      VAL  24   7.719   4.342   4.125
  172   2HG2  VAL  24          2HG2      VAL  24   8.766   5.205   2.973
  173   3HG2  VAL  24          3HG2      VAL  24   7.139   5.829   3.335
  174    H    LEU  25           HN       LEU  25   4.715   3.706   1.087
  175    HA   LEU  25           HA       LEU  25   4.754   2.210  -1.279
  176   1HB   LEU  25          2HB       LEU  25   2.323   1.873  -0.742
  177   2HB   LEU  25          3HB       LEU  25   3.477   1.392   0.486
  178    HG   LEU  25           HG       LEU  25   2.380   4.142   0.737
  179   1HD1  LEU  25          1HD1      LEU  25   0.521   2.339   1.987
  180   2HD1  LEU  25          2HD1      LEU  25   0.219   3.655   0.827
  181   3HD1  LEU  25          3HD1      LEU  25   0.593   2.017   0.238
  182   1HD2  LEU  25          1HD2      LEU  25   3.528   2.038   2.430
  183   2HD2  LEU  25          2HD2      LEU  25   3.535   3.809   2.622
  184   3HD2  LEU  25          3HD2      LEU  25   2.124   2.861   3.151
  185    H    GLU  26           HN       GLU  26   4.419   2.791  -3.355
  186    HA   GLU  26           HA       GLU  26   2.868   5.228  -3.759
  187   1HB   GLU  26          2HB       GLU  26   5.299   4.337  -5.372
  188   2HB   GLU  26          3HB       GLU  26   4.343   5.772  -5.679
  189   1HG   GLU  26          2HG       GLU  26   5.452   5.431  -2.901
  190   2HG   GLU  26          3HG       GLU  26   6.591   5.825  -4.173
  191    H    MET  27           HN       MET  27   2.768   5.141  -6.595
  192    HA   MET  27           HA       MET  27   0.864   3.043  -6.883
  193   1HB   MET  27          2HB       MET  27   0.611   4.114  -9.199
  194   2HB   MET  27          3HB       MET  27   0.376   5.229  -7.866
  195   1HG   MET  27          2HG       MET  27   2.252   6.451  -8.386
  196   2HG   MET  27          3HG       MET  27   3.207   5.025  -8.741
  197   1HE   MET  27          1HE       MET  27   4.335   6.180 -10.366
  198   2HE   MET  27          2HE       MET  27   4.031   4.864 -11.525
  199   3HE   MET  27          3HE       MET  27   3.801   6.558 -12.021
  200    H    VAL  28           HN       VAL  28   1.087   1.106  -7.978
  201    HA   VAL  28           HA       VAL  28   3.595   0.748  -9.464
  202    HB   VAL  28           HB       VAL  28   4.023  -1.259  -8.451
  203   1HG1  VAL  28          1HG1      VAL  28   2.649   0.418  -6.328
  204   2HG1  VAL  28          2HG1      VAL  28   3.680  -0.991  -5.978
  205   3HG1  VAL  28          3HG1      VAL  28   4.369   0.439  -6.783
  206   1HG2  VAL  28          1HG2      VAL  28   1.542  -1.988  -8.873
  207   2HG2  VAL  28          2HG2      VAL  28   2.504  -2.799  -7.614
  208   3HG2  VAL  28          3HG2      VAL  28   1.320  -1.549  -7.161
  209    HA   PRO  29           HA       PRO  29   1.154  -1.017 -12.572
  210   1HB   PRO  29          2HB       PRO  29   2.466  -3.269 -13.394
  211   2HB   PRO  29          3HB       PRO  29   2.958  -1.651 -13.855
  212   1HG   PRO  29          2HG       PRO  29   4.197  -3.475 -11.885
  213   2HG   PRO  29          3HG       PRO  29   4.889  -2.065 -12.663
  214   1HD   PRO  29          2HD       PRO  29   3.907  -2.233  -9.973
  215   2HD   PRO  29          3HD       PRO  29   4.491  -0.795 -10.788
  216    H    TRP  30           HN       TRP  30  -0.888  -1.645 -12.336
  217    HA   TRP  30           HA       TRP  30  -1.198  -4.344 -11.239
  218   1HB   TRP  30          2HB       TRP  30  -1.581  -2.839  -9.388
  219   2HB   TRP  30          3HB       TRP  30  -2.694  -1.876 -10.341
  220    HD1  TRP  30           HD1      TRP  30  -5.167  -2.428  -9.744
  221    HE1  TRP  30           HE1      TRP  30  -6.601  -4.481  -8.914
  222    HE3  TRP  30           HE3      TRP  30  -1.313  -5.742  -9.622
  223    HZ2  TRP  30           HZ2      TRP  30  -5.977  -7.200  -8.312
  224    HZ3  TRP  30           HZ3      TRP  30  -1.811  -8.076  -8.901
  225    HH2  TRP  30           HH2      TRP  30  -4.048  -8.823  -8.260
  226    H    ASP  31           HN       ASP  31  -3.687  -4.969 -11.643
  227    HA   ASP  31           HA       ASP  31  -4.514  -3.786 -14.162
  228   1HB   ASP  31          2HB       ASP  31  -3.201  -6.115 -14.248
  229   2HB   ASP  31          3HB       ASP  31  -4.743  -6.774 -13.739
  230    H    GLY  32           HN       GLY  32  -5.848  -2.880 -12.099
  231   1HA   GLY  32          1HA       GLY  32  -8.378  -4.309 -12.096
  232   2HA   GLY  32          2HA       GLY  32  -7.575  -4.193 -10.542
  233    H    CYS  33           HN       CYS  33  -6.279  -1.573 -11.087
  234    HA   CYS  33           HA       CYS  33  -8.473   0.048 -10.300
  235   1HB   CYS  33          2HB       CYS  33  -5.669   0.141 -10.029
  236   2HB   CYS  33          3HB       CYS  33  -6.087   1.554 -10.976
  237    HG   CYS  33           HG       CYS  33  -6.685   2.850  -9.091
  238    H    LYS  34           HN       LYS  34  -8.788   2.279 -11.464
  239    HA   LYS  34           HA       LYS  34  -9.593   1.763 -14.094
  240   1HB   LYS  34          2HB       LYS  34  -9.541   4.087 -12.245
  241   2HB   LYS  34          3HB       LYS  34  -9.625   4.464 -13.954
  242   1HG   LYS  34          2HG       LYS  34 -11.451   2.338 -13.644
  243   2HG   LYS  34          3HG       LYS  34 -11.683   3.304 -12.199
  244   1HD   LYS  34          2HD       LYS  34 -13.087   4.505 -13.573
  245   2HD   LYS  34          3HD       LYS  34 -11.600   5.317 -14.022
  246   1HE   LYS  34          2HE       LYS  34 -12.347   4.747 -16.144
  247   2HE   LYS  34          3HE       LYS  34 -11.425   3.300 -15.790
  248   1HZ   LYS  34          1HZ       LYS  34 -14.045   3.121 -14.762
  249   2HZ   LYS  34          2HZ       LYS  34 -14.074   3.422 -16.366
  250   3HZ   LYS  34          3HZ       LYS  34 -13.271   2.120 -15.794
  251    H    ALA  35           HN       ALA  35  -6.552   2.825 -12.670
  252    HA   ALA  35           HA       ALA  35  -5.556   3.404 -15.374
  253   1HB   ALA  35          1HB       ALA  35  -3.642   4.368 -13.691
  254   2HB   ALA  35          2HB       ALA  35  -5.009   5.336 -14.293
  255   3HB   ALA  35          3HB       ALA  35  -5.093   4.581 -12.682
  256    H    GLY  36           HN       GLY  36  -6.021   0.746 -13.879
  257   1HA   GLY  36          1HA       GLY  36  -4.894  -1.153 -13.378
  258   2HA   GLY  36          2HA       GLY  36  -4.029  -0.773 -14.854
  259    H    GLN  37           HN       GLN  37  -4.054   0.710 -11.530
  260    HA   GLN  37           HA       GLN  37  -1.318  -0.109 -11.214
  261   1HB   GLN  37          2HB       GLN  37  -0.617   2.259 -10.614
  262   2HB   GLN  37          3HB       GLN  37  -0.923   1.989 -12.318
  263   1HG   GLN  37          2HG       GLN  37  -2.422   3.687 -12.278
  264   2HG   GLN  37          3HG       GLN  37  -3.441   2.721 -11.230
  265   1HE2  GLN  37          1HE2      GLN  37  -3.754   3.305  -9.192
  266   2HE2  GLN  37          2HE2      GLN  37  -2.949   4.594  -8.360
  267    H    ILE  38           HN       ILE  38  -1.139  -0.894  -9.161
  268    HA   ILE  38           HA       ILE  38  -3.121   0.032  -7.220
  269    HB   ILE  38           HB       ILE  38  -2.845  -2.415  -7.888
  270   1HG1  ILE  38          2HG1      ILE  38  -2.686  -2.780  -5.111
  271   2HG1  ILE  38          3HG1      ILE  38  -3.315  -1.156  -5.308
  272   1HG2  ILE  38          1HG2      ILE  38  -0.342  -2.370  -7.783
  273   2HG2  ILE  38          2HG2      ILE  38  -0.475  -2.271  -6.011
  274   3HG2  ILE  38          3HG2      ILE  38  -1.104  -3.697  -6.871
  275   1HD1  ILE  38          1HD1      ILE  38  -5.070  -2.011  -6.858
  276   2HD1  ILE  38          2HD1      ILE  38  -4.431  -3.659  -6.655
  277   3HD1  ILE  38          3HD1      ILE  38  -5.155  -2.809  -5.269
  278    H    ALA  39           HN       ALA  39  -2.529   0.962  -5.258
  279    HA   ALA  39           HA       ALA  39   0.117   2.086  -5.229
  280   1HB   ALA  39          1HB       ALA  39  -2.504   2.530  -3.938
  281   2HB   ALA  39          2HB       ALA  39  -1.111   2.814  -2.869
  282   3HB   ALA  39          3HB       ALA  39  -1.248   3.700  -4.406
  283    H    SER  40           HN       SER  40   1.798   0.835  -4.569
  284    HA   SER  40           HA       SER  40   1.413  -0.567  -2.063
  285   1HB   SER  40          2HB       SER  40   3.083  -2.311  -3.403
  286   2HB   SER  40          3HB       SER  40   1.362  -2.549  -3.173
  287    HG   SER  40           HG       SER  40   1.584  -0.935  -5.303
  288    H    SER  41           HN       SER  41   3.872  -1.596  -1.570
  289    HA   SER  41           HA       SER  41   5.654   0.663  -2.064
  290   1HB   SER  41          2HB       SER  41   4.761  -0.529   0.425
  291   2HB   SER  41          3HB       SER  41   6.493  -0.753   0.279
  292    HG   SER  41           HG       SER  41   6.830   1.447   0.221
  293    HA   PRO  42           HA       PRO  42   7.667  -2.966  -3.801
  294   1HB   PRO  42          2HB       PRO  42   8.710  -1.735  -6.007
  295   2HB   PRO  42          3HB       PRO  42   7.148  -2.531  -6.001
  296   1HG   PRO  42          2HG       PRO  42   7.755   0.362  -5.965
  297   2HG   PRO  42          3HG       PRO  42   6.254  -0.439  -6.383
  298   1HD   PRO  42          2HD       PRO  42   6.846   0.923  -3.930
  299   2HD   PRO  42          3HD       PRO  42   5.391   0.022  -4.303
  300    H    ARG  43           HN       ARG  43   9.247   0.178  -4.197
  301    HA   ARG  43           HA       ARG  43  11.642  -1.096  -3.222
  302   1HB   ARG  43          2HB       ARG  43  11.285   1.763  -4.245
  303   2HB   ARG  43          3HB       ARG  43  12.804   0.916  -4.033
  304   1HG   ARG  43          2HG       ARG  43  10.632  -0.136  -5.891
  305   2HG   ARG  43          3HG       ARG  43  11.827   1.024  -6.436
  306   1HD   ARG  43          2HD       ARG  43  13.144  -0.780  -6.901
  307   2HD   ARG  43          3HD       ARG  43  13.419  -0.880  -5.174
  308    HE   ARG  43           HE       ARG  43  11.922  -2.707  -5.037
  309   1HH1  ARG  43          1HH1      ARG  43  10.291  -4.378  -7.631
  310   2HH1  ARG  43          2HH1      ARG  43  10.731  -4.428  -5.957
  311   1HH2  ARG  43          1HH2      ARG  43  10.909  -2.564  -8.940
  312   2HH2  ARG  43          2HH2      ARG  43  11.812  -1.260  -8.243
  313    H    THR  44           HN       THR  44  10.868  -1.280  -0.960
  314    HA   THR  44           HA       THR  44  10.344   1.211   0.436
  315    HB   THR  44           HB       THR  44  10.468  -1.700   1.390
  316    HG1  THR  44           1HG      THR  44   8.697  -1.587   0.019
  317   1HG2  THR  44          1HG2      THR  44  10.531   0.001   3.245
  318   2HG2  THR  44          2HG2      THR  44   9.090   0.781   2.548
  319   3HG2  THR  44          3HG2      THR  44   8.980  -0.871   3.200
  320    H    GLU  45           HN       GLU  45  12.946   1.008  -0.809
  321    HA   GLU  45           HA       GLU  45  14.858   0.156   1.000
  322   1HB   GLU  45          2HB       GLU  45  16.439   1.376  -0.370
  323   2HB   GLU  45          3HB       GLU  45  15.227   0.690  -1.434
  324   1HG   GLU  45          2HG       GLU  45  14.090   2.818  -1.671
  325   2HG   GLU  45          3HG       GLU  45  15.004   3.532  -0.357
  326    H    ASP  46           HN       ASP  46  12.747   2.938   0.996
  327    HA   ASP  46           HA       ASP  46  14.332   4.032   3.185
  328   1HB   ASP  46          2HB       ASP  46  12.763   5.412   0.981
  329   2HB   ASP  46          3HB       ASP  46  13.059   6.236   2.500
  330    H    CYS  47           HN       CYS  47  13.184   3.937   5.126
  331    HA   CYS  47           HA       CYS  47  10.671   4.811   5.557
  332   1HB   CYS  47          2HB       CYS  47   9.439   3.328   4.320
  333   2HB   CYS  47          3HB       CYS  47  10.620   2.040   4.456
  334    H    VAL  48           HN       VAL  48  11.308   5.359   7.630
  335    HA   VAL  48           HA       VAL  48  12.797   3.407   9.180
  336    HB   VAL  48           HB       VAL  48  13.514   5.768   9.004
  337   1HG1  VAL  48          1HG1      VAL  48  11.942   7.358   9.083
  338   2HG1  VAL  48          2HG1      VAL  48  10.746   6.242   9.785
  339   3HG1  VAL  48          3HG1      VAL  48  11.892   7.100  10.843
  340   1HG2  VAL  48          1HG2      VAL  48  14.435   5.677  11.063
  341   2HG2  VAL  48          2HG2      VAL  48  12.855   5.572  11.878
  342   3HG2  VAL  48          3HG2      VAL  48  13.595   4.113  11.176
  343    H    GLY  49           HN       GLY  49  10.159   2.588   8.534
  344   1HA   GLY  49          1HA       GLY  49   8.120   2.109   9.433
  345   2HA   GLY  49          2HA       GLY  49   9.131   1.565  10.756
  346    H    CYS  50           HN       CYS  50   7.305   4.385   9.462
  347    HA   CYS  50           HA       CYS  50   7.636   5.951  11.778
  348   1HB   CYS  50          2HB       CYS  50   5.989   7.424  10.809
  349   2HB   CYS  50          3HB       CYS  50   7.077   6.882   9.546
  350    H    LYS  51           HN       LYS  51   4.762   6.676  12.122
  351    HA   LYS  51           HA       LYS  51   4.073   5.247  14.280
  352   1HB   LYS  51          2HB       LYS  51   2.811   7.108  12.523
  353   2HB   LYS  51          3HB       LYS  51   1.654   5.838  12.862
  354   1HG   LYS  51          2HG       LYS  51   1.869   6.151  15.259
  355   2HG   LYS  51          3HG       LYS  51   3.276   7.179  15.068
  356   1HD   LYS  51          2HD       LYS  51   1.525   8.728  15.441
  357   2HD   LYS  51          3HD       LYS  51   1.723   8.762  13.701
  358   1HE   LYS  51          2HE       LYS  51  -0.166   7.158  13.435
  359   2HE   LYS  51          3HE       LYS  51  -0.347   7.064  15.176
  360   1HZ   LYS  51          1HZ       LYS  51  -1.235   9.122  15.261
  361   2HZ   LYS  51          2HZ       LYS  51  -0.408   9.698  13.976
  362   3HZ   LYS  51          3HZ       LYS  51  -1.710   8.740  13.746
  363    H    ARG  52           HN       ARG  52   2.313   4.612  11.174
  364    HA   ARG  52           HA       ARG  52   2.989   1.980  10.975
  365   1HB   ARG  52          2HB       ARG  52   0.920   0.845  11.859
  366   2HB   ARG  52          3HB       ARG  52   1.881   1.575  13.129
  367   1HG   ARG  52          2HG       ARG  52  -0.176   3.378  11.938
  368   2HG   ARG  52          3HG       ARG  52  -0.826   1.989  12.785
  369   1HD   ARG  52          2HD       ARG  52   1.383   3.313  14.257
  370   2HD   ARG  52          3HD       ARG  52   0.010   4.367  13.983
  371    HE   ARG  52           HE       ARG  52  -1.385   2.892  15.265
  372   1HH1  ARG  52          1HH1      ARG  52  -0.259   0.422  17.458
  373   2HH1  ARG  52          2HH1      ARG  52  -1.605   1.404  16.985
  374   1HH2  ARG  52          1HH2      ARG  52   1.768   0.618  16.344
  375   2HH2  ARG  52          2HH2      ARG  52   1.934   1.745  15.040
  376    H    CYS  53           HN       CYS  53   1.860   0.970   9.164
  377    HA   CYS  53           HA       CYS  53  -0.121   2.728   7.912
  378   1HB   CYS  53          2HB       CYS  53   0.885   1.962   5.693
  379   2HB   CYS  53          3HB       CYS  53   1.799   3.139   6.616
  380    H    GLU  54           HN       GLU  54  -0.019   0.141   9.676
  381    HA   GLU  54           HA       GLU  54  -0.616  -2.038   8.125
  382   1HB   GLU  54          2HB       GLU  54  -1.481  -3.036  10.142
  383   2HB   GLU  54          3HB       GLU  54  -0.148  -1.999  10.611
  384   1HG   GLU  54          2HG       GLU  54  -2.377  -0.279  10.677
  385   2HG   GLU  54          3HG       GLU  54  -3.006  -1.792  11.299
  386    H    THR  55           HN       THR  55  -2.462   0.858   8.742
  387    HA   THR  55           HA       THR  55  -5.063  -0.148   8.475
  388    HB   THR  55           HB       THR  55  -3.796   2.308   8.946
  389    HG1  THR  55           1HG      THR  55  -6.201   2.915   8.893
  390   1HG2  THR  55          1HG2      THR  55  -3.944   2.478   6.281
  391   2HG2  THR  55          2HG2      THR  55  -5.673   2.746   6.608
  392   3HG2  THR  55          3HG2      THR  55  -4.457   3.853   7.289
  393    H    ALA  56           HN       ALA  56  -2.473  -0.005   6.201
  394    HA   ALA  56           HA       ALA  56  -3.550   0.572   3.823
  395   1HB   ALA  56          1HB       ALA  56  -2.071  -1.256   2.916
  396   2HB   ALA  56          2HB       ALA  56  -1.263  -0.178   4.079
  397   3HB   ALA  56          3HB       ALA  56  -1.799  -1.795   4.591
  398    H    CYS  57           HN       CYS  57  -5.744   0.247   3.465
  399    HA   CYS  57           HA       CYS  57  -7.570  -0.827   2.895
  400   1HB   CYS  57          2HB       CYS  57  -5.460  -2.674   2.063
  401   2HB   CYS  57          3HB       CYS  57  -6.952  -3.511   2.442
  402    HA   PRO  58           HA       PRO  58  -8.736  -2.553   6.738
  403   1HB   PRO  58          2HB       PRO  58 -11.414  -2.858   6.286
  404   2HB   PRO  58          3HB       PRO  58 -10.691  -1.337   6.771
  405   1HG   PRO  58          2HG       PRO  58 -11.686  -2.149   4.108
  406   2HG   PRO  58          3HG       PRO  58 -11.362  -0.537   4.715
  407   1HD   PRO  58          2HD       PRO  58  -9.722  -2.056   2.918
  408   2HD   PRO  58          3HD       PRO  58  -9.344  -0.493   3.616
  409    H    THR  59           HN       THR  59  -7.303  -4.343   5.430
  410    HA   THR  59           HA       THR  59  -7.005  -6.539   5.233
  411    HB   THR  59           HB       THR  59  -9.624  -7.013   6.710
  412    HG1  THR  59           1HG      THR  59  -8.599  -5.289   7.842
  413   1HG2  THR  59          1HG2      THR  59  -7.442  -8.292   7.956
  414   2HG2  THR  59          2HG2      THR  59  -8.633  -9.073   6.889
  415   3HG2  THR  59          3HG2      THR  59  -7.102  -8.463   6.218
  416    H    ASP  60           HN       ASP  60  -9.093  -8.625   4.987
  417    HA   ASP  60           HA       ASP  60 -10.578  -9.404   3.555
  418   1HB   ASP  60          2HB       ASP  60 -11.074  -6.742   3.167
  419   2HB   ASP  60          3HB       ASP  60 -10.417  -7.141   1.593
  420    H    PHE  61           HN       PHE  61  -7.955  -7.332   2.137
  421    HA   PHE  61           HA       PHE  61  -7.481  -9.361   0.100
  422   1HB   PHE  61          2HB       PHE  61  -7.224  -6.452   0.460
  423   2HB   PHE  61          3HB       PHE  61  -5.670  -7.112  -0.008
  424    HD1  PHE  61           1HD      PHE  61  -5.756  -8.777  -2.066
  425    HD2  PHE  61           2HD      PHE  61  -8.716  -5.861  -1.203
  426    HE1  PHE  61           1HE      PHE  61  -6.496  -8.819  -4.464
  427    HE2  PHE  61           2HE      PHE  61  -9.455  -5.902  -3.601
  428    HZ   PHE  61           HZ       PHE  61  -8.337  -7.380  -5.203
  429    H    LEU  62           HN       LEU  62  -5.645  -7.395   2.550
  430    HA   LEU  62           HA       LEU  62  -3.226  -8.657   2.270
  431   1HB   LEU  62          2HB       LEU  62  -4.590  -7.282   4.564
  432   2HB   LEU  62          3HB       LEU  62  -3.007  -8.005   4.769
  433    HG   LEU  62           HG       LEU  62  -2.646  -6.508   2.487
  434   1HD1  LEU  62          1HD1      LEU  62  -4.805  -5.451   2.604
  435   2HD1  LEU  62          2HD1      LEU  62  -4.541  -4.995   4.304
  436   3HD1  LEU  62          3HD1      LEU  62  -3.553  -4.255   3.020
  437   1HD2  LEU  62          1HD2      LEU  62  -1.683  -6.605   5.140
  438   2HD2  LEU  62          2HD2      LEU  62  -0.939  -5.822   3.724
  439   3HD2  LEU  62          3HD2      LEU  62  -2.028  -4.895   4.784
  440    H    SER  63           HN       SER  63  -2.434 -10.653   2.713
  441    HA   SER  63           HA       SER  63  -4.285 -12.493   3.932
  442   1HB   SER  63          2HB       SER  63  -1.558 -13.024   2.673
  443   2HB   SER  63          3HB       SER  63  -2.740 -14.239   3.118
  444    HG   SER  63           HG       SER  63  -2.756 -13.654   0.814
  445    H    ILE  64           HN       ILE  64  -2.775 -10.329   5.463
  446    HA   ILE  64           HA       ILE  64  -1.415 -10.085   7.219
  447    HB   ILE  64           HB       ILE  64  -2.956 -12.559   8.008
  448   1HG1  ILE  64          2HG1      ILE  64  -4.253 -10.607   9.250
  449   2HG1  ILE  64          3HG1      ILE  64  -3.601  -9.633   7.946
  450   1HG2  ILE  64          1HG2      ILE  64  -1.742 -10.518   9.875
  451   2HG2  ILE  64          2HG2      ILE  64  -2.460 -12.098  10.267
  452   3HG2  ILE  64          3HG2      ILE  64  -0.905 -12.018   9.405
  453   1HD1  ILE  64          1HD1      ILE  64  -5.452 -10.350   6.806
  454   2HD1  ILE  64          2HD1      ILE  64  -4.491 -11.824   6.536
  455   3HD1  ILE  64          3HD1      ILE  64  -5.674 -11.763   7.865
  456    H    ARG  65           HN       ARG  65   0.516 -10.511   5.835
  457    HA   ARG  65           HA       ARG  65   1.609 -13.141   6.120
  458   1HB   ARG  65          2HB       ARG  65   1.888 -10.995   4.260
  459   2HB   ARG  65          3HB       ARG  65   3.461 -11.159   5.016
  460   1HG   ARG  65          2HG       ARG  65   1.911 -13.523   3.863
  461   2HG   ARG  65          3HG       ARG  65   3.085 -12.607   2.939
  462   1HD   ARG  65          2HD       ARG  65   4.807 -13.747   3.887
  463   2HD   ARG  65          3HD       ARG  65   4.262 -13.326   5.498
  464    HE   ARG  65           HE       ARG  65   3.316 -15.452   5.695
  465   1HH1  ARG  65          1HH1      ARG  65   2.702 -17.924   3.309
  466   2HH1  ARG  65          2HH1      ARG  65   2.700 -17.540   4.998
  467   1HH2  ARG  65          1HH2      ARG  65   3.330 -16.319   1.754
  468   2HH2  ARG  65          2HH2      ARG  65   3.797 -14.737   2.283
  469    H    VAL  66           HN       VAL  66   1.431 -10.373   8.028
  470    HA   VAL  66           HA       VAL  66   2.554  -9.582   9.760
  471    HB   VAL  66           HB       VAL  66   3.655 -12.397   9.763
  472   1HG1  VAL  66          1HG1      VAL  66   3.853 -10.200  11.841
  473   2HG1  VAL  66          2HG1      VAL  66   4.081 -11.925  12.218
  474   3HG1  VAL  66          3HG1      VAL  66   5.175 -11.112  11.073
  475   1HG2  VAL  66          1HG2      VAL  66   1.423 -12.727  10.144
  476   2HG2  VAL  66          2HG2      VAL  66   1.942 -12.369  11.808
  477   3HG2  VAL  66          3HG2      VAL  66   1.180 -11.098  10.821
  478    H    TYR  67           HN       TYR  67   3.720  -7.949   8.688
  479    HA   TYR  67           HA       TYR  67   6.536  -8.646   8.226
  480   1HB   TYR  67          2HB       TYR  67   4.431  -7.728   6.417
  481   2HB   TYR  67          3HB       TYR  67   5.575  -6.414   6.604
  482    HD1  TYR  67           HD1      TYR  67   4.964  -9.668   5.122
  483    HD2  TYR  67           HD2      TYR  67   7.992  -6.773   5.990
  484    HE1  TYR  67           HE1      TYR  67   6.507 -10.764   3.425
  485    HE2  TYR  67           HE2      TYR  67   9.526  -7.878   4.290
  486    HH   TYR  67           HH       TYR  67   9.403 -10.695   3.318
  487    H    LEU  68           HN       LEU  68   4.114  -5.993   8.743
  488    HA   LEU  68           HA       LEU  68   5.753  -3.930   9.295
  489   1HB   LEU  68          2HB       LEU  68   3.129  -4.773  10.490
  490   2HB   LEU  68          3HB       LEU  68   3.925  -3.301  11.009
  491    HG   LEU  68           HG       LEU  68   3.116  -3.919   8.155
  492   1HD1  LEU  68          1HD1      LEU  68   1.765  -1.718   9.557
  493   2HD1  LEU  68          2HD1      LEU  68   1.109  -2.987   8.495
  494   3HD1  LEU  68          3HD1      LEU  68   1.410  -3.334  10.215
  495   1HD2  LEU  68          1HD2      LEU  68   4.589  -1.657   9.431
  496   2HD2  LEU  68          2HD2      LEU  68   4.803  -2.415   7.835
  497   3HD2  LEU  68          3HD2      LEU  68   3.450  -1.292   8.113
  498    H    GLY  69           HN       GLY  69   4.635  -6.396  11.720
  499   1HA   GLY  69          1HA       GLY  69   6.616  -5.428  13.621
  500   2HA   GLY  69          2HA       GLY  69   5.383  -6.646  13.882
  501    H    ALA  70           HN       ALA  70   8.275  -6.135  11.727
  502    HA   ALA  70           HA       ALA  70   9.506  -8.503  12.724
  503   1HB   ALA  70          1HB       ALA  70   9.070 -10.005  11.070
  504   2HB   ALA  70          2HB       ALA  70   7.609  -9.017  10.826
  505   3HB   ALA  70          3HB       ALA  70   9.041  -8.755   9.802
  506    H    GLU  71           HN       GLU  71   9.273  -6.239   9.894
  507    HA   GLU  71           HA       GLU  71  11.752  -6.266   8.992
  508   1HB   GLU  71          2HB       GLU  71   9.778  -4.030   9.396
  509   2HB   GLU  71          3HB       GLU  71  11.389  -3.603   8.853
  510   1HG   GLU  71          2HG       GLU  71  11.094  -5.452   7.047
  511   2HG   GLU  71          3HG       GLU  71   9.397  -5.457   7.486
  512    H    THR  72           HN       THR  72  10.833  -3.754  11.462
  513    HA   THR  72           HA       THR  72  13.277  -4.349  12.927
  514    HB   THR  72           HB       THR  72  13.923  -1.902  12.807
  515    HG1  THR  72           1HG      THR  72  11.922  -1.992  10.666
  516   1HG2  THR  72          1HG2      THR  72  13.561  -3.129  10.024
  517   2HG2  THR  72          2HG2      THR  72  14.746  -1.885  10.492
  518   3HG2  THR  72          3HG2      THR  72  14.901  -3.543  11.120
  519    H    THR  73           HN       THR  73  10.620  -4.977  13.600
  520    HA   THR  73           HA       THR  73   9.833  -2.862  15.460
  521    HB   THR  73           HB       THR  73   8.550  -5.221  14.097
  522    HG1  THR  73           1HG      THR  73   7.769  -2.560  15.065
  523   1HG2  THR  73          1HG2      THR  73   7.368  -3.957  16.614
  524   2HG2  THR  73          2HG2      THR  73   6.721  -5.324  15.675
  525   3HG2  THR  73          3HG2      THR  73   8.197  -5.533  16.648
  526    H    ARG  74           HN       ARG  74  10.410  -6.447  15.523
  527    HA   ARG  74           HA       ARG  74  10.860  -6.158  18.357
  528   1HB   ARG  74          2HB       ARG  74  10.655  -8.635  16.572
  529   2HB   ARG  74          3HB       ARG  74  10.892  -8.698  18.308
  530   1HG   ARG  74          2HG       ARG  74   8.633  -8.649  18.521
  531   2HG   ARG  74          3HG       ARG  74   8.698  -6.969  18.028
  532   1HD   ARG  74          2HD       ARG  74   7.891  -7.417  15.918
  533   2HD   ARG  74          3HD       ARG  74   8.827  -8.890  15.758
  534    HE   ARG  74           HE       ARG  74   7.005 -10.112  16.575
  535   1HH1  ARG  74          1HH1      ARG  74   3.985  -9.041  17.959
  536   2HH1  ARG  74          2HH1      ARG  74   4.878 -10.399  17.359
  537   1HH2  ARG  74          1HH2      ARG  74   4.950  -6.929  17.964
  538   2HH2  ARG  74          2HH2      ARG  74   6.561  -6.712  17.369
  539    H    SER  75           HN       SER  75  12.534  -6.633  15.296
  540    HA   SER  75           HA       SER  75  14.901  -7.603  16.611
  541   1HB   SER  75          2HB       SER  75  13.804  -7.865  14.019
  542   2HB   SER  75          3HB       SER  75  15.221  -6.859  13.793
  543    HG   SER  75           HG       SER  75  15.622  -9.211  13.669
  544    H    MET  76           HN       MET  76  13.398  -4.612  15.742
  545    HA   MET  76           HA       MET  76  14.062  -2.538  15.622
  546   1HB   MET  76          2HB       MET  76  15.524  -3.812  17.854
  547   2HB   MET  76          3HB       MET  76  16.390  -2.413  17.250
  548   1HG   MET  76          2HG       MET  76  13.439  -2.043  17.614
  549   2HG   MET  76          3HG       MET  76  14.360  -2.265  19.089
  550   1HE   MET  76          1HE       MET  76  16.412  -1.257  19.591
  551   2HE   MET  76          2HE       MET  76  17.349  -0.448  18.311
  552   3HE   MET  76          3HE       MET  76  16.550   0.518  19.575
  553    H    GLY  77           HN       GLY  77  17.419  -3.685  16.249
  554   1HA   GLY  77          1HA       GLY  77  18.146  -3.352  13.448
  555   2HA   GLY  77          2HA       GLY  77  18.809  -2.175  14.563
  556    H    LEU  78           HN       LEU  78  19.143  -3.832  16.895
  557    HA   LEU  78           HA       LEU  78  21.332  -5.517  15.920
  558   1HB   LEU  78          2HB       LEU  78  22.307  -3.989  17.299
  559   2HB   LEU  78          3HB       LEU  78  20.895  -3.822  18.321
  560    HG   LEU  78           HG       LEU  78  23.048  -4.957  19.241
  561   1HD1  LEU  78          1HD1      LEU  78  20.196  -5.778  19.657
  562   2HD1  LEU  78          2HD1      LEU  78  21.494  -6.634  20.523
  563   3HD1  LEU  78          3HD1      LEU  78  21.297  -4.878  20.728
  564   1HD2  LEU  78          1HD2      LEU  78  22.077  -7.603  18.632
  565   2HD2  LEU  78          2HD2      LEU  78  22.481  -6.730  17.133
  566   3HD2  LEU  78          3HD2      LEU  78  23.702  -6.909  18.416
  567    H    ALA  79           HN       ALA  79  18.447  -5.401  18.069
  568    HA   ALA  79           HA       ALA  79  18.539  -7.724  19.370
  569   1HB   ALA  79          1HB       ALA  79  16.423  -6.060  18.145
  570   2HB   ALA  79          2HB       ALA  79  15.942  -7.747  18.450
  571   3HB   ALA  79          3HB       ALA  79  16.540  -6.736  19.788
  572    H    TYR  80           HN       TYR  80  18.216  -7.290  15.849
  573    HA   TYR  80           HA       TYR  80  17.353  -9.864  15.208
  574   1HB   TYR  80          2HB       TYR  80  17.787  -9.021  13.036
  575   2HB   TYR  80          3HB       TYR  80  17.830  -7.509  13.921
  576    HD1  TYR  80           HD1      TYR  80  20.208  -6.828  14.880
  577    HD2  TYR  80           HD2      TYR  80  19.587  -9.582  11.666
  578    HE1  TYR  80           HE1      TYR  80  22.585  -6.428  14.069
  579    HE2  TYR  80           HE2      TYR  80  21.966  -9.174  10.867
  580    HH   TYR  80           HH       TYR  80  23.661  -7.580  11.009
  Start of MODEL   22
    1    H    SER   1           HN       SER   1  -4.206  -5.042  11.049
    2    HA   SER   1           HA       SER   1  -5.281  -5.438   8.636
    3   1HB   SER   1          2HB       SER   1  -3.725  -3.933   7.174
    4   2HB   SER   1          3HB       SER   1  -5.182  -3.228   7.848
    5    HG   SER   1           HG       SER   1  -2.551  -2.540   8.291
    6    H    HIS   2           HN       HIS   2  -4.229  -7.393   9.621
    7    HA   HIS   2           HA       HIS   2  -1.721  -7.843  10.264
    8   1HB   HIS   2          2HB       HIS   2  -2.324  -9.945   8.458
    9   2HB   HIS   2          3HB       HIS   2  -2.469  -9.927  10.205
   10    HD1  HIS   2           HD1      HIS   2  -4.820  -9.816  11.209
   11    HD2  HIS   2           HD2      HIS   2  -4.767  -9.278   7.050
   12    HE1  HIS   2           HE1      HIS   2  -7.253  -9.903  10.446
   13    H    SER   3           HN       SER   3   0.255  -7.347   9.468
   14    HA   SER   3           HA       SER   3   1.728  -6.527   8.064
   15   1HB   SER   3          2HB       SER   3   2.561  -8.150   6.593
   16   2HB   SER   3          3HB       SER   3   1.593  -9.116   7.688
   17    HG   SER   3           HG       SER   3  -0.152  -9.061   6.128
   18    H    VAL   4           HN       VAL   4   1.759  -6.838   5.074
   19    HA   VAL   4           HA       VAL   4  -0.542  -5.745   3.940
   20    HB   VAL   4           HB       VAL   4  -0.055  -3.815   5.332
   21   1HG1  VAL   4          1HG1      VAL   4   2.493  -4.356   5.329
   22   2HG1  VAL   4          2HG1      VAL   4   2.532  -3.352   3.858
   23   3HG1  VAL   4          3HG1      VAL   4   1.966  -2.657   5.396
   24   1HG2  VAL   4          1HG2      VAL   4   0.767  -2.506   2.900
   25   2HG2  VAL   4          2HG2      VAL   4  -0.384  -3.809   2.522
   26   3HG2  VAL   4          3HG2      VAL   4  -0.831  -2.534   3.681
   27    H    LYS   5           HN       LYS   5   3.043  -5.965   4.003
   28    HA   LYS   5           HA       LYS   5   4.525  -6.154   2.342
   29   1HB   LYS   5          2HB       LYS   5   3.181  -8.430   2.688
   30   2HB   LYS   5          3HB       LYS   5   2.731  -8.147   1.019
   31   1HG   LYS   5          2HG       LYS   5   5.423  -7.606   0.890
   32   2HG   LYS   5          3HG       LYS   5   5.409  -8.791   2.181
   33   1HD   LYS   5          2HD       LYS   5   3.752 -10.064   0.443
   34   2HD   LYS   5          3HD       LYS   5   4.672  -9.122  -0.714
   35   1HE   LYS   5          2HE       LYS   5   6.796 -10.010   0.512
   36   2HE   LYS   5          3HE       LYS   5   5.727 -11.166   1.282
   37   1HZ   LYS   5          1HZ       LYS   5   5.503 -12.293  -0.606
   38   2HZ   LYS   5          2HZ       LYS   5   5.402 -10.966  -1.554
   39   3HZ   LYS   5          3HZ       LYS   5   6.863 -11.526  -1.087
   40    H    ILE   6           HN       ILE   6   4.218  -6.865  -0.428
   41    HA   ILE   6           HA       ILE   6   2.995  -4.372  -1.370
   42    HB   ILE   6           HB       ILE   6   5.271  -6.042  -2.430
   43   1HG1  ILE   6          2HG1      ILE   6   6.293  -3.601  -2.236
   44   2HG1  ILE   6          3HG1      ILE   6   5.024  -3.398  -1.044
   45   1HG2  ILE   6          1HG2      ILE   6   5.221  -3.826  -4.020
   46   2HG2  ILE   6          2HG2      ILE   6   4.570  -5.422  -4.468
   47   3HG2  ILE   6          3HG2      ILE   6   3.483  -4.166  -3.830
   48   1HD1  ILE   6          1HD1      ILE   6   5.826  -5.309   0.247
   49   2HD1  ILE   6          2HD1      ILE   6   7.001  -5.723  -1.024
   50   3HD1  ILE   6          3HD1      ILE   6   7.204  -4.230  -0.077
   51    H    TYR   7           HN       TYR   7   0.985  -5.929  -0.950
   52    HA   TYR   7           HA       TYR   7   0.605  -7.702  -3.235
   53   1HB   TYR   7          2HB       TYR   7  -0.872  -6.994  -0.630
   54   2HB   TYR   7          3HB       TYR   7  -1.583  -8.071  -1.815
   55    HD1  TYR   7           HD1      TYR   7   0.531  -9.829  -2.660
   56    HD2  TYR   7           HD2      TYR   7  -0.190  -8.198   1.228
   57    HE1  TYR   7           HE1      TYR   7   1.754 -11.791  -1.603
   58    HE2  TYR   7           HE2      TYR   7   1.036 -10.166   2.273
   59    HH   TYR   7           HH       TYR   7   1.719 -12.961   0.591
   60    H    ASP   8           HN       ASP   8  -1.770  -7.640  -4.143
   61    HA   ASP   8           HA       ASP   8  -2.090  -4.979  -5.120
   62   1HB   ASP   8          2HB       ASP   8  -3.647  -5.957  -6.692
   63   2HB   ASP   8          3HB       ASP   8  -2.291  -7.057  -6.551
   64    H    THR   9           HN       THR   9  -2.605  -4.998  -2.362
   65    HA   THR   9           HA       THR   9  -5.462  -5.347  -1.968
   66    HB   THR   9           HB       THR   9  -4.001  -6.136  -0.193
   67    HG1  THR   9           1HG      THR   9  -5.857  -4.924   0.543
   68   1HG2  THR   9          1HG2      THR   9  -1.952  -5.128   0.038
   69   2HG2  THR   9          2HG2      THR   9  -2.493  -3.679  -0.843
   70   3HG2  THR   9          3HG2      THR   9  -2.815  -3.833   0.901
   71    H    CYS  10           HN       CYS  10  -6.509  -3.814  -3.217
   72    HA   CYS  10           HA       CYS  10  -6.471  -1.198  -2.071
   73   1HB   CYS  10          2HB       CYS  10  -4.573  -1.225  -3.816
   74   2HB   CYS  10          3HB       CYS  10  -5.837  -1.329  -5.025
   75    H    ILE  11           HN       ILE  11  -8.480  -0.130  -2.518
   76    HA   ILE  11           HA       ILE  11 -10.338  -1.739  -4.129
   77    HB   ILE  11           HB       ILE  11 -12.105  -0.951  -2.613
   78   1HG1  ILE  11          2HG1      ILE  11 -10.709  -0.216  -0.300
   79   2HG1  ILE  11          3HG1      ILE  11  -9.948   0.709  -1.580
   80   1HG2  ILE  11          1HG2      ILE  11 -10.185  -2.959  -2.183
   81   2HG2  ILE  11          2HG2      ILE  11 -10.465  -2.201  -0.597
   82   3HG2  ILE  11          3HG2      ILE  11 -11.835  -2.863  -1.521
   83   1HD1  ILE  11          1HD1      ILE  11 -12.953   0.571  -1.588
   84   2HD1  ILE  11          2HD1      ILE  11 -12.171   1.576  -0.345
   85   3HD1  ILE  11          3HD1      ILE  11 -11.879   1.905  -2.070
   86    H    GLY  12           HN       GLY  12  -9.143   1.495  -3.171
   87   1HA   GLY  12          1HA       GLY  12  -9.269   2.766  -5.508
   88   2HA   GLY  12          2HA       GLY  12 -10.952   2.821  -5.024
   89    H    CYS  13           HN       CYS  13  -9.999   2.765  -2.054
   90    HA   CYS  13           HA       CYS  13 -10.193   5.484  -1.612
   91   1HB   CYS  13          2HB       CYS  13 -10.483   4.773   0.479
   92   2HB   CYS  13          3HB       CYS  13 -10.095   3.146  -0.043
   93    H    THR  14           HN       THR  14  -8.340   6.689  -0.249
   94    HA   THR  14           HA       THR  14  -5.855   6.349  -1.792
   95    HB   THR  14           HB       THR  14  -7.201   8.490  -2.088
   96    HG1  THR  14           1HG      THR  14  -4.634   8.501  -0.664
   97   1HG2  THR  14          1HG2      THR  14  -6.742   8.545   0.895
   98   2HG2  THR  14          2HG2      THR  14  -6.554  10.075   0.005
   99   3HG2  THR  14          3HG2      THR  14  -8.104   9.199  -0.047
  100    H    GLN  15           HN       GLN  15  -7.332   6.340   1.401
  101    HA   GLN  15           HA       GLN  15  -5.399   6.966   3.074
  102   1HB   GLN  15          2HB       GLN  15  -6.605   5.794   4.625
  103   2HB   GLN  15          3HB       GLN  15  -7.738   5.598   3.302
  104   1HG   GLN  15          2HG       GLN  15  -6.341   3.461   2.694
  105   2HG   GLN  15          3HG       GLN  15  -5.662   3.614   4.302
  106   1HE2  GLN  15          1HE2      GLN  15  -6.719   1.441   4.373
  107   2HE2  GLN  15          2HE2      GLN  15  -8.352   1.344   4.943
  108    H    CYS  16           HN       CYS  16  -3.584   5.887   4.141
  109    HA   CYS  16           HA       CYS  16  -1.935   4.392   4.330
  110   1HB   CYS  16          2HB       CYS  16  -2.033   2.312   3.457
  111   2HB   CYS  16          3HB       CYS  16  -3.662   2.777   3.013
  112    H    VAL  17           HN       VAL  17  -2.785   5.390   0.945
  113    HA   VAL  17           HA       VAL  17  -0.029   5.746   0.248
  114    HB   VAL  17           HB       VAL  17  -2.476   6.719  -1.225
  115   1HG1  VAL  17          1HG1      VAL  17  -0.768   7.532  -2.485
  116   2HG1  VAL  17          2HG1      VAL  17   0.405   6.348  -1.861
  117   3HG1  VAL  17          3HG1      VAL  17  -0.755   5.869  -3.122
  118   1HG2  VAL  17          1HG2      VAL  17  -2.226   4.454  -2.449
  119   2HG2  VAL  17          2HG2      VAL  17  -1.345   3.929  -0.993
  120   3HG2  VAL  17          3HG2      VAL  17  -3.035   4.474  -0.863
  121    H    ARG  18           HN       ARG  18  -2.175   7.448   2.207
  122    HA   ARG  18           HA       ARG  18  -0.844   9.945   1.520
  123   1HB   ARG  18          2HB       ARG  18  -3.637   9.339   1.886
  124   2HB   ARG  18          3HB       ARG  18  -3.158  10.372   3.218
  125   1HG   ARG  18          2HG       ARG  18  -3.862  11.828   1.421
  126   2HG   ARG  18          3HG       ARG  18  -2.118  11.966   1.533
  127   1HD   ARG  18          2HD       ARG  18  -2.507   9.811  -0.246
  128   2HD   ARG  18          3HD       ARG  18  -3.767  10.947  -0.686
  129    HE   ARG  18           HE       ARG  18  -0.884  11.325  -1.014
  130   1HH1  ARG  18          1HH1      ARG  18  -1.252  14.563  -2.263
  131   2HH1  ARG  18          2HH1      ARG  18  -0.167  13.229  -2.055
  132   1HH2  ARG  18          1HH2      ARG  18  -3.434  14.417  -1.484
  133   2HH2  ARG  18          2HH2      ARG  18  -3.977  12.974  -0.696
  134    H    ALA  19           HN       ALA  19  -2.332   8.043   4.242
  135    HA   ALA  19           HA       ALA  19  -1.532   9.410   6.396
  136   1HB   ALA  19          1HB       ALA  19  -1.861   6.520   5.734
  137   2HB   ALA  19          2HB       ALA  19  -1.021   6.897   7.257
  138   3HB   ALA  19          3HB       ALA  19  -2.669   7.508   6.973
  139    H    CYS  20           HN       CYS  20   0.532   6.971   4.657
  140    HA   CYS  20           HA       CYS  20   2.766   7.090   6.105
  141   1HB   CYS  20          2HB       CYS  20   2.428   5.732   4.042
  142   2HB   CYS  20          3HB       CYS  20   2.710   7.162   3.070
  143    HA   PRO  21           HA       PRO  21   3.675  11.406   5.863
  144   1HB   PRO  21          2HB       PRO  21   5.564  11.462   7.837
  145   2HB   PRO  21          3HB       PRO  21   3.847  11.620   8.149
  146   1HG   PRO  21          2HG       PRO  21   5.609   9.291   8.612
  147   2HG   PRO  21          3HG       PRO  21   4.028   9.624   9.291
  148   1HD   PRO  21          2HD       PRO  21   4.635   7.780   7.180
  149   2HD   PRO  21          3HD       PRO  21   3.043   8.198   7.780
  150    H    LEU  22           HN       LEU  22   6.367   9.152   6.276
  151    HA   LEU  22           HA       LEU  22   8.340  10.634   5.186
  152   1HB   LEU  22          2HB       LEU  22   7.729   7.698   5.081
  153   2HB   LEU  22          3HB       LEU  22   9.148   8.339   4.279
  154    HG   LEU  22           HG       LEU  22   8.902   9.269   7.049
  155   1HD1  LEU  22          1HD1      LEU  22   7.908   6.814   6.914
  156   2HD1  LEU  22          2HD1      LEU  22   9.635   6.380   6.883
  157   3HD1  LEU  22          3HD1      LEU  22   8.979   7.326   8.240
  158   1HD2  LEU  22          1HD2      LEU  22  11.244   7.688   6.407
  159   2HD2  LEU  22          2HD2      LEU  22  10.902   8.886   5.135
  160   3HD2  LEU  22          3HD2      LEU  22  11.107   9.414   6.822
  161    H    ASP  23           HN       ASP  23   7.214   8.040   3.013
  162    HA   ASP  23           HA       ASP  23   5.896   9.494   1.157
  163   1HB   ASP  23          2HB       ASP  23   7.900   9.638  -0.577
  164   2HB   ASP  23          3HB       ASP  23   7.617  10.946   0.553
  165    H    VAL  24           HN       VAL  24   5.634   6.934   2.055
  166    HA   VAL  24           HA       VAL  24   6.881   5.242   0.005
  167    HB   VAL  24           HB       VAL  24   5.629   4.377   2.612
  168   1HG1  VAL  24          1HG1      VAL  24   5.762   2.485   1.278
  169   2HG1  VAL  24          2HG1      VAL  24   7.241   3.036   0.455
  170   3HG1  VAL  24          3HG1      VAL  24   7.324   2.437   2.130
  171   1HG2  VAL  24          1HG2      VAL  24   8.505   4.198   2.634
  172   2HG2  VAL  24          2HG2      VAL  24   8.011   5.877   2.304
  173   3HG2  VAL  24          3HG2      VAL  24   7.419   5.045   3.762
  174    H    LEU  25           HN       LEU  25   5.354   3.232  -0.477
  175    HA   LEU  25           HA       LEU  25   3.473   2.480  -1.356
  176   1HB   LEU  25          2HB       LEU  25   2.010   4.592   0.228
  177   2HB   LEU  25          3HB       LEU  25   1.337   3.130  -0.467
  178    HG   LEU  25           HG       LEU  25   3.429   2.261   1.213
  179   1HD1  LEU  25          1HD1      LEU  25   3.153   3.288   3.300
  180   2HD1  LEU  25          2HD1      LEU  25   3.250   4.639   2.146
  181   3HD1  LEU  25          3HD1      LEU  25   1.671   4.135   2.794
  182   1HD2  LEU  25          1HD2      LEU  25   0.879   1.536   0.647
  183   2HD2  LEU  25          2HD2      LEU  25   1.839   0.868   1.989
  184   3HD2  LEU  25          3HD2      LEU  25   0.678   2.183   2.294
  185    H    GLU  26           HN       GLU  26   4.244   3.137  -3.438
  186    HA   GLU  26           HA       GLU  26   3.045   5.632  -4.350
  187   1HB   GLU  26          2HB       GLU  26   5.291   4.080  -5.701
  188   2HB   GLU  26          3HB       GLU  26   4.762   5.709  -6.068
  189   1HG   GLU  26          2HG       GLU  26   5.318   6.087  -3.452
  190   2HG   GLU  26          3HG       GLU  26   6.379   4.720  -3.727
  191    H    MET  27           HN       MET  27   3.347   4.980  -7.192
  192    HA   MET  27           HA       MET  27   1.055   3.233  -7.376
  193   1HB   MET  27          2HB       MET  27   1.123   4.099  -9.818
  194   2HB   MET  27          3HB       MET  27   0.836   5.317  -8.591
  195   1HG   MET  27          2HG       MET  27   2.812   6.390  -9.026
  196   2HG   MET  27          3HG       MET  27   3.718   4.892  -9.087
  197   1HE   MET  27          1HE       MET  27   1.570   7.024 -12.515
  198   2HE   MET  27          2HE       MET  27   0.551   6.130 -11.361
  199   3HE   MET  27          3HE       MET  27   1.593   7.453 -10.787
  200    H    VAL  28           HN       VAL  28   1.052   1.228  -8.403
  201    HA   VAL  28           HA       VAL  28   3.564   0.435  -9.691
  202    HB   VAL  28           HB       VAL  28   3.485  -1.699  -8.593
  203   1HG1  VAL  28          1HG1      VAL  28   3.614   0.810  -7.026
  204   2HG1  VAL  28          2HG1      VAL  28   3.438  -0.680  -6.071
  205   3HG1  VAL  28          3HG1      VAL  28   4.803  -0.503  -7.198
  206   1HG2  VAL  28          1HG2      VAL  28   0.779  -1.199  -8.235
  207   2HG2  VAL  28          2HG2      VAL  28   1.695  -2.570  -7.563
  208   3HG2  VAL  28          3HG2      VAL  28   1.441  -1.104  -6.586
  209    HA   PRO  29           HA       PRO  29   0.965  -1.199 -12.732
  210   1HB   PRO  29          2HB       PRO  29   2.310  -3.401 -13.632
  211   2HB   PRO  29          3HB       PRO  29   2.732  -1.765 -14.096
  212   1HG   PRO  29          2HG       PRO  29   4.109  -3.568 -12.201
  213   2HG   PRO  29          3HG       PRO  29   4.724  -2.130 -12.991
  214   1HD   PRO  29          2HD       PRO  29   3.862  -2.355 -10.264
  215   2HD   PRO  29          3HD       PRO  29   4.366  -0.891 -11.087
  216    H    TRP  30           HN       TRP  30  -1.048  -1.844 -12.316
  217    HA   TRP  30           HA       TRP  30  -1.222  -4.570 -11.239
  218   1HB   TRP  30          2HB       TRP  30  -1.611  -3.040  -9.404
  219   2HB   TRP  30          3HB       TRP  30  -2.798  -2.152 -10.341
  220    HD1  TRP  30           HD1      TRP  30  -5.224  -2.813  -9.667
  221    HE1  TRP  30           HE1      TRP  30  -6.530  -4.913  -8.747
  222    HE3  TRP  30           HE3      TRP  30  -1.206  -5.928  -9.575
  223    HZ2  TRP  30           HZ2      TRP  30  -5.754  -7.581  -8.098
  224    HZ3  TRP  30           HZ3      TRP  30  -1.566  -8.264  -8.785
  225    HH2  TRP  30           HH2      TRP  30  -3.745  -9.105  -8.063
  226    H    ASP  31           HN       ASP  31  -3.690  -5.301 -11.571
  227    HA   ASP  31           HA       ASP  31  -4.649  -4.175 -14.065
  228   1HB   ASP  31          2HB       ASP  31  -3.212  -6.440 -14.180
  229   2HB   ASP  31          3HB       ASP  31  -4.720  -7.169 -13.660
  230    H    GLY  32           HN       GLY  32  -5.971  -3.347 -11.964
  231   1HA   GLY  32          1HA       GLY  32  -8.416  -4.912 -11.889
  232   2HA   GLY  32          2HA       GLY  32  -7.572  -4.766 -10.360
  233    H    CYS  33           HN       CYS  33  -6.432  -2.069 -10.964
  234    HA   CYS  33           HA       CYS  33  -8.681  -0.574 -10.076
  235   1HB   CYS  33          2HB       CYS  33  -5.818  -0.284 -10.066
  236   2HB   CYS  33          3HB       CYS  33  -6.530   1.167 -10.744
  237    HG   CYS  33           HG       CYS  33  -7.972  -0.263  -8.178
  238    H    LYS  34           HN       LYS  34  -9.136   1.652 -11.215
  239    HA   LYS  34           HA       LYS  34 -10.004   1.102 -13.823
  240   1HB   LYS  34          2HB       LYS  34 -10.596   2.949 -11.873
  241   2HB   LYS  34          3HB       LYS  34  -9.774   3.938 -13.062
  242   1HG   LYS  34          2HG       LYS  34 -11.904   1.972 -13.957
  243   2HG   LYS  34          3HG       LYS  34 -12.378   3.516 -13.277
  244   1HD   LYS  34          2HD       LYS  34 -10.251   3.588 -15.394
  245   2HD   LYS  34          3HD       LYS  34 -11.865   3.160 -15.926
  246   1HE   LYS  34          2HE       LYS  34 -11.846   5.520 -16.121
  247   2HE   LYS  34          3HE       LYS  34 -12.669   5.257 -14.596
  248   1HZ   LYS  34          1HZ       LYS  34 -10.812   6.918 -14.621
  249   2HZ   LYS  34          2HZ       LYS  34 -10.760   5.812 -13.422
  250   3HZ   LYS  34          3HZ       LYS  34  -9.772   5.663 -14.713
  251    H    ALA  35           HN       ALA  35  -6.979   2.303 -12.486
  252    HA   ALA  35           HA       ALA  35  -6.105   2.966 -15.213
  253   1HB   ALA  35          1HB       ALA  35  -4.196   3.999 -13.533
  254   2HB   ALA  35          2HB       ALA  35  -5.589   4.913 -14.160
  255   3HB   ALA  35          3HB       ALA  35  -5.665   4.171 -12.543
  256    H    GLY  36           HN       GLY  36  -6.377   0.275 -13.735
  257   1HA   GLY  36          1HA       GLY  36  -5.133  -1.564 -13.290
  258   2HA   GLY  36          2HA       GLY  36  -4.335  -1.123 -14.786
  259    H    GLN  37           HN       GLN  37  -4.338   0.361 -11.464
  260    HA   GLN  37           HA       GLN  37  -1.561  -0.334 -11.215
  261   1HB   GLN  37          2HB       GLN  37  -0.914   2.045 -10.684
  262   2HB   GLN  37          3HB       GLN  37  -1.329   1.780 -12.366
  263   1HG   GLN  37          2HG       GLN  37  -2.859   3.444 -12.195
  264   2HG   GLN  37          3HG       GLN  37  -3.792   2.421 -11.120
  265   1HE2  GLN  37          1HE2      GLN  37  -4.061   2.995  -9.084
  266   2HE2  GLN  37          2HE2      GLN  37  -3.235   4.269  -8.252
  267    H    ILE  38           HN       ILE  38  -1.283  -1.078  -9.157
  268    HA   ILE  38           HA       ILE  38  -3.282  -0.280  -7.184
  269    HB   ILE  38           HB       ILE  38  -2.752  -2.704  -7.815
  270   1HG1  ILE  38          2HG1      ILE  38  -2.584  -3.045  -5.062
  271   2HG1  ILE  38          3HG1      ILE  38  -3.292  -1.451  -5.225
  272   1HG2  ILE  38          1HG2      ILE  38  -0.393  -2.753  -7.832
  273   2HG2  ILE  38          2HG2      ILE  38  -0.283  -2.002  -6.222
  274   3HG2  ILE  38          3HG2      ILE  38  -0.888  -3.668  -6.387
  275   1HD1  ILE  38          1HD1      ILE  38  -4.968  -3.365  -5.193
  276   2HD1  ILE  38          2HD1      ILE  38  -5.099  -2.294  -6.609
  277   3HD1  ILE  38          3HD1      ILE  38  -4.308  -3.881  -6.764
  278    H    ALA  39           HN       ALA  39  -2.673   0.498  -5.093
  279    HA   ALA  39           HA       ALA  39  -0.209   2.012  -5.194
  280   1HB   ALA  39          1HB       ALA  39  -2.732   2.000  -3.557
  281   2HB   ALA  39          2HB       ALA  39  -1.268   2.750  -2.875
  282   3HB   ALA  39          3HB       ALA  39  -1.940   3.344  -4.413
  283    H    SER  40           HN       SER  40   1.636   0.950  -4.641
  284    HA   SER  40           HA       SER  40   1.543  -0.505  -2.140
  285   1HB   SER  40          2HB       SER  40   2.205  -1.634  -4.828
  286   2HB   SER  40          3HB       SER  40   3.291  -2.085  -3.529
  287    HG   SER  40           HG       SER  40   1.632  -3.084  -2.417
  288    H    SER  41           HN       SER  41   4.157  -1.303  -1.880
  289    HA   SER  41           HA       SER  41   5.596   1.199  -2.299
  290   1HB   SER  41          2HB       SER  41   5.066   0.562   0.099
  291   2HB   SER  41          3HB       SER  41   6.062  -0.866  -0.104
  292    HG   SER  41           HG       SER  41   7.579   1.161  -0.956
  293    HA   PRO  42           HA       PRO  42   7.881  -1.811  -4.711
  294   1HB   PRO  42          2HB       PRO  42   8.653  -0.105  -6.701
  295   2HB   PRO  42          3HB       PRO  42   7.178  -1.049  -6.767
  296   1HG   PRO  42          2HG       PRO  42   7.506   1.839  -6.230
  297   2HG   PRO  42          3HG       PRO  42   6.064   0.970  -6.716
  298   1HD   PRO  42          2HD       PRO  42   6.685   1.929  -4.086
  299   2HD   PRO  42          3HD       PRO  42   5.301   0.960  -4.547
  300    H    ARG  43           HN       ARG  43   9.111   1.506  -4.568
  301    HA   ARG  43           HA       ARG  43  11.702   0.376  -4.068
  302   1HB   ARG  43          2HB       ARG  43  10.927   3.329  -4.216
  303   2HB   ARG  43          3HB       ARG  43  12.536   2.658  -4.389
  304   1HG   ARG  43          2HG       ARG  43  10.325   1.775  -6.270
  305   2HG   ARG  43          3HG       ARG  43  11.146   3.299  -6.546
  306   1HD   ARG  43          2HD       ARG  43  12.627   1.994  -7.729
  307   2HD   ARG  43          3HD       ARG  43  13.322   1.690  -6.150
  308    HE   ARG  43           HE       ARG  43  12.396  -0.487  -6.156
  309   1HH1  ARG  43          1HH1      ARG  43  10.641  -2.097  -8.706
  310   2HH1  ARG  43          2HH1      ARG  43  11.473  -2.298  -7.200
  311   1HH2  ARG  43          1HH2      ARG  43  10.464   0.010  -9.662
  312   2HH2  ARG  43          2HH2      ARG  43  11.163   1.382  -8.869
  313    H    THR  44           HN       THR  44  11.245  -0.503  -1.900
  314    HA   THR  44           HA       THR  44  10.523   1.405   0.165
  315    HB   THR  44           HB       THR  44  11.236  -1.569   0.329
  316    HG1  THR  44           1HG      THR  44   9.362  -1.589  -0.873
  317   1HG2  THR  44          1HG2      THR  44  10.671   0.309   2.364
  318   2HG2  THR  44          2HG2      THR  44   9.107  -0.482   2.049
  319   3HG2  THR  44          3HG2      THR  44  10.522  -1.459   2.504
  320    H    GLU  45           HN       GLU  45  12.994   1.924  -1.313
  321    HA   GLU  45           HA       GLU  45  15.184   1.012   0.108
  322   1HB   GLU  45          2HB       GLU  45  16.425   2.757  -1.036
  323   2HB   GLU  45          3HB       GLU  45  15.232   2.115  -2.149
  324   1HG   GLU  45          2HG       GLU  45  13.766   4.018  -1.827
  325   2HG   GLU  45          3HG       GLU  45  14.682   4.580  -0.442
  326    H    ASP  46           HN       ASP  46  12.673   3.221   0.990
  327    HA   ASP  46           HA       ASP  46  14.391   4.348   3.054
  328   1HB   ASP  46          2HB       ASP  46  12.735   5.656   1.286
  329   2HB   ASP  46          3HB       ASP  46  11.635   5.430   2.631
  330    H    CYS  47           HN       CYS  47  11.880   5.239   4.536
  331    HA   CYS  47           HA       CYS  47  10.432   4.523   6.027
  332   1HB   CYS  47          2HB       CYS  47   9.268   3.251   4.354
  333   2HB   CYS  47          3HB       CYS  47  10.453   1.962   4.408
  334    H    VAL  48           HN       VAL  48  10.938   4.060   8.159
  335    HA   VAL  48           HA       VAL  48  12.961   1.986   8.616
  336    HB   VAL  48           HB       VAL  48  14.049   4.152   8.690
  337   1HG1  VAL  48          1HG1      VAL  48  12.105   4.907  10.895
  338   2HG1  VAL  48          2HG1      VAL  48  13.415   5.908  10.223
  339   3HG1  VAL  48          3HG1      VAL  48  12.008   5.490   9.216
  340   1HG2  VAL  48          1HG2      VAL  48  13.800   2.387  11.025
  341   2HG2  VAL  48          2HG2      VAL  48  15.252   3.030  10.220
  342   3HG2  VAL  48          3HG2      VAL  48  14.390   4.018  11.424
  343    H    GLY  49           HN       GLY  49  10.458   1.140   8.728
  344   1HA   GLY  49          1HA       GLY  49   8.810   0.339  10.035
  345   2HA   GLY  49          2HA       GLY  49  10.044   0.219  11.274
  346    H    CYS  50           HN       CYS  50   8.020   2.789   9.676
  347    HA   CYS  50           HA       CYS  50   7.865   4.102  12.274
  348   1HB   CYS  50          2HB       CYS  50   7.922   6.050  11.178
  349   2HB   CYS  50          3HB       CYS  50   8.353   5.136   9.747
  350    H    LYS  51           HN       LYS  51   6.023   3.766  13.472
  351    HA   LYS  51           HA       LYS  51   3.864   2.295  12.352
  352   1HB   LYS  51          2HB       LYS  51   4.901   2.742  14.894
  353   2HB   LYS  51          3HB       LYS  51   3.363   3.580  14.931
  354   1HG   LYS  51          2HG       LYS  51   2.137   1.639  14.738
  355   2HG   LYS  51          3HG       LYS  51   3.272   0.906  13.621
  356   1HD   LYS  51          2HD       LYS  51   4.868   0.559  15.575
  357   2HD   LYS  51          3HD       LYS  51   3.610   1.141  16.647
  358   1HE   LYS  51          2HE       LYS  51   3.209  -1.156  16.753
  359   2HE   LYS  51          3HE       LYS  51   2.122  -0.714  15.452
  360   1HZ   LYS  51          1HZ       LYS  51   3.723  -2.622  15.088
  361   2HZ   LYS  51          2HZ       LYS  51   3.579  -1.528  13.885
  362   3HZ   LYS  51          3HZ       LYS  51   4.878  -1.488  14.874
  363    H    ARG  52           HN       ARG  52   3.061   3.529  10.591
  364    HA   ARG  52           HA       ARG  52   1.472   5.767  11.519
  365   1HB   ARG  52          2HB       ARG  52   3.500   5.747   9.276
  366   2HB   ARG  52          3HB       ARG  52   2.053   6.712   9.061
  367   1HG   ARG  52          2HG       ARG  52   3.719   6.930  11.598
  368   2HG   ARG  52          3HG       ARG  52   4.140   7.841  10.162
  369   1HD   ARG  52          2HD       ARG  52   1.632   8.630  10.180
  370   2HD   ARG  52          3HD       ARG  52   1.606   8.040  11.830
  371    HE   ARG  52           HE       ARG  52   3.874   9.814  11.227
  372   1HH1  ARG  52          1HH1      ARG  52   2.571  12.390  13.187
  373   2HH1  ARG  52          2HH1      ARG  52   3.961  11.813  12.331
  374   1HH2  ARG  52          1HH2      ARG  52   0.620  11.134  13.212
  375   2HH2  ARG  52          2HH2      ARG  52   0.554   9.618  12.375
  376    H    CYS  53           HN       CYS  53   2.239   3.401   8.888
  377    HA   CYS  53           HA       CYS  53  -0.325   3.716   7.682
  378   1HB   CYS  53          2HB       CYS  53   0.409   1.778   6.274
  379   2HB   CYS  53          3HB       CYS  53   1.494   3.153   6.236
  380    H    GLU  54           HN       GLU  54  -1.068   3.342  10.196
  381    HA   GLU  54           HA       GLU  54  -1.292   0.514  10.719
  382   1HB   GLU  54          2HB       GLU  54  -2.002   3.003  12.318
  383   2HB   GLU  54          3HB       GLU  54  -2.450   1.396  12.854
  384   1HG   GLU  54          2HG       GLU  54  -0.288   0.826  13.409
  385   2HG   GLU  54          3HG       GLU  54   0.400   1.659  12.029
  386    H    THR  55           HN       THR  55  -2.631   1.371   8.356
  387    HA   THR  55           HA       THR  55  -5.384   0.790   9.148
  388    HB   THR  55           HB       THR  55  -4.562   3.390   8.545
  389    HG1  THR  55           1HG      THR  55  -7.028   1.866   8.085
  390   1HG2  THR  55          1HG2      THR  55  -4.224   2.893   6.144
  391   2HG2  THR  55          2HG2      THR  55  -5.799   2.068   6.073
  392   3HG2  THR  55          3HG2      THR  55  -5.726   3.825   6.344
  393    H    ALA  56           HN       ALA  56  -3.078   1.284   6.398
  394    HA   ALA  56           HA       ALA  56  -2.861   0.199   4.478
  395   1HB   ALA  56          1HB       ALA  56  -3.199  -2.365   4.700
  396   2HB   ALA  56          2HB       ALA  56  -1.981  -1.590   5.741
  397   3HB   ALA  56          3HB       ALA  56  -3.574  -2.024   6.407
  398    H    CYS  57           HN       CYS  57  -5.134  -2.356   4.922
  399    HA   CYS  57           HA       CYS  57  -7.244  -0.807   3.640
  400   1HB   CYS  57          2HB       CYS  57  -5.577  -2.570   2.210
  401   2HB   CYS  57          3HB       CYS  57  -7.067  -3.456   2.463
  402    HA   PRO  58           HA       PRO  58  -9.673  -3.219   6.332
  403   1HB   PRO  58          2HB       PRO  58 -12.103  -3.251   5.080
  404   2HB   PRO  58          3HB       PRO  58 -11.523  -1.885   6.012
  405   1HG   PRO  58          2HG       PRO  58 -11.700  -2.184   3.077
  406   2HG   PRO  58          3HG       PRO  58 -11.536  -0.718   4.023
  407   1HD   PRO  58          2HD       PRO  58  -9.470  -2.043   2.539
  408   2HD   PRO  58          3HD       PRO  58  -9.282  -0.644   3.578
  409    H    THR  59           HN       THR  59  -7.964  -4.889   5.258
  410    HA   THR  59           HA       THR  59  -7.673  -7.043   4.785
  411    HB   THR  59           HB       THR  59 -10.608  -7.651   5.184
  412    HG1  THR  59           1HG      THR  59 -10.086  -7.280   7.525
  413   1HG2  THR  59          1HG2      THR  59  -8.706  -9.417   5.054
  414   2HG2  THR  59          2HG2      THR  59  -8.136  -8.750   6.602
  415   3HG2  THR  59          3HG2      THR  59  -9.750  -9.491   6.494
  416    H    ASP  60           HN       ASP  60  -9.799  -8.822   3.564
  417    HA   ASP  60           HA       ASP  60 -10.796  -9.167   1.618
  418   1HB   ASP  60          2HB       ASP  60 -10.773  -6.456   1.477
  419   2HB   ASP  60          3HB       ASP  60  -9.589  -6.786   0.227
  420    H    PHE  61           HN       PHE  61  -7.504  -7.726   1.758
  421    HA   PHE  61           HA       PHE  61  -6.610  -9.817  -0.096
  422   1HB   PHE  61          2HB       PHE  61  -5.783  -6.875   0.246
  423   2HB   PHE  61          3HB       PHE  61  -4.843  -8.006  -0.707
  424    HD1  PHE  61           1HD      PHE  61  -7.671  -5.800  -0.669
  425    HD2  PHE  61           2HD      PHE  61  -5.922  -9.068  -2.736
  426    HE1  PHE  61           1HE      PHE  61  -9.094  -5.294  -2.674
  427    HE2  PHE  61           2HE      PHE  61  -7.345  -8.561  -4.741
  428    HZ   PHE  61           HZ       PHE  61  -8.914  -6.680  -4.686
  429    H    LEU  62           HN       LEU  62  -5.076  -7.282   2.010
  430    HA   LEU  62           HA       LEU  62  -2.920  -8.824   2.743
  431   1HB   LEU  62          2HB       LEU  62  -2.499  -7.198   4.401
  432   2HB   LEU  62          3HB       LEU  62  -3.171  -6.378   3.005
  433    HG   LEU  62           HG       LEU  62  -5.409  -6.900   4.569
  434   1HD1  LEU  62          1HD1      LEU  62  -3.906  -7.590   6.419
  435   2HD1  LEU  62          2HD1      LEU  62  -3.189  -5.961   6.403
  436   3HD1  LEU  62          3HD1      LEU  62  -4.908  -6.172   6.811
  437   1HD2  LEU  62          1HD2      LEU  62  -5.176  -4.879   3.360
  438   2HD2  LEU  62          2HD2      LEU  62  -5.263  -4.426   5.080
  439   3HD2  LEU  62          3HD2      LEU  62  -3.693  -4.434   4.239
  440    H    SER  63           HN       SER  63  -2.768 -10.703   3.831
  441    HA   SER  63           HA       SER  63  -3.718 -11.159   6.294
  442   1HB   SER  63          2HB       SER  63  -5.905 -11.290   4.431
  443   2HB   SER  63          3HB       SER  63  -5.596 -12.922   4.987
  444    HG   SER  63           HG       SER  63  -6.971 -11.084   6.279
  445    H    ILE  64           HN       ILE  64  -1.439 -11.713   4.721
  446    HA   ILE  64           HA       ILE  64  -1.497 -14.646   4.722
  447    HB   ILE  64           HB       ILE  64  -0.317 -12.794   2.660
  448   1HG1  ILE  64          2HG1      ILE  64  -1.701 -15.039   1.578
  449   2HG1  ILE  64          3HG1      ILE  64  -2.718 -14.352   2.828
  450   1HG2  ILE  64          1HG2      ILE  64   1.357 -14.496   3.347
  451   2HG2  ILE  64          2HG2      ILE  64   0.192 -15.770   2.913
  452   3HG2  ILE  64          3HG2      ILE  64   0.815 -14.669   1.661
  453   1HD1  ILE  64          1HD1      ILE  64  -2.858 -13.377   0.391
  454   2HD1  ILE  64          2HD1      ILE  64  -2.851 -12.249   1.768
  455   3HD1  ILE  64          3HD1      ILE  64  -1.361 -12.520   0.833
  456    H    ARG  65           HN       ARG  65   0.765 -11.802   4.539
  457    HA   ARG  65           HA       ARG  65   2.598 -13.280   6.169
  458   1HB   ARG  65          2HB       ARG  65   2.689 -10.906   4.398
  459   2HB   ARG  65          3HB       ARG  65   3.637 -10.689   5.856
  460   1HG   ARG  65          2HG       ARG  65   3.895 -13.278   4.306
  461   2HG   ARG  65          3HG       ARG  65   4.708 -11.844   3.710
  462   1HD   ARG  65          2HD       ARG  65   6.033 -11.625   5.710
  463   2HD   ARG  65          3HD       ARG  65   5.014 -12.735   6.606
  464    HE   ARG  65           HE       ARG  65   6.063 -14.122   4.335
  465   1HH1  ARG  65          1HH1      ARG  65   8.853 -15.472   5.939
  466   2HH1  ARG  65          2HH1      ARG  65   7.812 -15.577   4.560
  467   1HH2  ARG  65          1HH2      ARG  65   8.474 -13.854   7.559
  468   2HH2  ARG  65          2HH2      ARG  65   7.149 -12.751   7.389
  469    H    VAL  66           HN       VAL  66   3.747 -11.871   8.008
  470    HA   VAL  66           HA       VAL  66   1.730 -10.258   9.389
  471    HB   VAL  66           HB       VAL  66   3.295 -12.595  10.490
  472   1HG1  VAL  66          1HG1      VAL  66   1.927 -10.313  11.901
  473   2HG1  VAL  66          2HG1      VAL  66   1.998 -11.925  12.650
  474   3HG1  VAL  66          3HG1      VAL  66   3.503 -11.070  12.235
  475   1HG2  VAL  66          1HG2      VAL  66   1.105 -13.001   9.280
  476   2HG2  VAL  66          2HG2      VAL  66   1.178 -13.583  10.960
  477   3HG2  VAL  66          3HG2      VAL  66   0.311 -12.077  10.578
  478    H    TYR  67           HN       TYR  67   2.701  -8.273   9.162
  479    HA   TYR  67           HA       TYR  67   5.525  -8.132   9.980
  480   1HB   TYR  67          2HB       TYR  67   3.757  -6.913   7.859
  481   2HB   TYR  67          3HB       TYR  67   4.865  -5.786   8.617
  482    HD1  TYR  67           HD1      TYR  67   7.269  -7.458   9.046
  483    HD2  TYR  67           HD2      TYR  67   4.599  -7.272   5.708
  484    HE1  TYR  67           HE1      TYR  67   9.128  -8.257   7.505
  485    HE2  TYR  67           HE2      TYR  67   6.466  -8.069   4.179
  486    HH   TYR  67           HH       TYR  67   8.532  -8.663   4.022
  487    H    LEU  68           HN       LEU  68   2.623  -5.950   9.714
  488    HA   LEU  68           HA       LEU  68   3.355  -4.121  11.568
  489   1HB   LEU  68          2HB       LEU  68   0.613  -5.219  10.947
  490   2HB   LEU  68          3HB       LEU  68   0.895  -3.789  11.920
  491    HG   LEU  68           HG       LEU  68   1.682  -4.138   9.014
  492   1HD1  LEU  68          1HD1      LEU  68  -0.376  -2.208  10.060
  493   2HD1  LEU  68          2HD1      LEU  68  -0.136  -2.822   8.406
  494   3HD1  LEU  68          3HD1      LEU  68  -0.805  -3.890   9.664
  495   1HD2  LEU  68          1HD2      LEU  68   1.858  -1.477   9.466
  496   2HD2  LEU  68          2HD2      LEU  68   2.387  -2.105  11.045
  497   3HD2  LEU  68          3HD2      LEU  68   3.236  -2.601   9.560
  498    H    GLY  69           HN       GLY  69   4.006  -4.260  13.640
  499   1HA   GLY  69          1HA       GLY  69   3.947  -4.821  15.833
  500   2HA   GLY  69          2HA       GLY  69   2.493  -5.757  15.558
  501    H    ALA  70           HN       ALA  70   6.004  -5.862  14.595
  502    HA   ALA  70           HA       ALA  70   6.460  -8.313  15.870
  503   1HB   ALA  70          1HB       ALA  70   4.971  -9.191  14.104
  504   2HB   ALA  70          2HB       ALA  70   6.025  -8.477  12.860
  505   3HB   ALA  70          3HB       ALA  70   6.637  -9.785  13.901
  506    H    GLU  71           HN       GLU  71   7.229  -6.139  13.095
  507    HA   GLU  71           HA       GLU  71   9.800  -6.759  12.680
  508   1HB   GLU  71          2HB       GLU  71  10.022  -4.125  12.333
  509   2HB   GLU  71          3HB       GLU  71   9.040  -5.099  11.257
  510   1HG   GLU  71          2HG       GLU  71   7.103  -4.107  11.945
  511   2HG   GLU  71          3HG       GLU  71   7.527  -4.255  13.639
  512    H    THR  72           HN       THR  72   8.396  -5.353  15.573
  513    HA   THR  72           HA       THR  72  10.935  -4.374  16.561
  514    HB   THR  72           HB       THR  72   9.357  -3.984  18.622
  515    HG1  THR  72           1HG      THR  72   7.643  -5.382  18.064
  516   1HG2  THR  72          1HG2      THR  72   9.130  -2.717  15.890
  517   2HG2  THR  72          2HG2      THR  72   7.877  -2.324  17.090
  518   3HG2  THR  72          3HG2      THR  72   9.586  -1.972  17.440
  519    H    THR  73           HN       THR  73  10.984  -7.142  15.807
  520    HA   THR  73           HA       THR  73  11.422  -8.296  18.480
  521    HB   THR  73           HB       THR  73  10.050  -9.451  16.014
  522    HG1  THR  73           1HG      THR  73   8.504  -9.862  17.751
  523   1HG2  THR  73          1HG2      THR  73  11.379 -10.889  18.357
  524   2HG2  THR  73          2HG2      THR  73   9.995 -11.594  17.486
  525   3HG2  THR  73          3HG2      THR  73  11.518 -11.267  16.623
  526    H    ARG  74           HN       ARG  74  12.338  -8.169  15.007
  527    HA   ARG  74           HA       ARG  74  14.929  -9.174  15.880
  528   1HB   ARG  74          2HB       ARG  74  15.214 -10.093  13.572
  529   2HB   ARG  74          3HB       ARG  74  13.818 -10.787  14.370
  530   1HG   ARG  74          2HG       ARG  74  12.768 -10.224  12.400
  531   2HG   ARG  74          3HG       ARG  74  12.592  -8.671  13.191
  532   1HD   ARG  74          2HD       ARG  74  13.497  -8.289  10.954
  533   2HD   ARG  74          3HD       ARG  74  14.749  -7.911  12.120
  534    HE   ARG  74           HE       ARG  74  15.300 -10.530  11.614
  535   1HH1  ARG  74          1HH1      ARG  74  16.685 -10.510   8.411
  536   2HH1  ARG  74          2HH1      ARG  74  16.562 -11.375   9.906
  537   1HH2  ARG  74          1HH2      ARG  74  15.568  -8.494   8.142
  538   2HH2  ARG  74          2HH2      ARG  74  14.611  -7.854   9.437
  539    H    SER  75           HN       SER  75  13.048  -6.858  13.912
  540    HA   SER  75           HA       SER  75  15.443  -5.627  12.924
  541   1HB   SER  75          2HB       SER  75  13.625  -5.680  11.367
  542   2HB   SER  75          3HB       SER  75  12.474  -5.108  12.559
  543    HG   SER  75           HG       SER  75  14.715  -3.523  11.644
  544    H    MET  76           HN       MET  76  14.027  -5.693  15.883
  545    HA   MET  76           HA       MET  76  14.077  -2.844  16.337
  546   1HB   MET  76          2HB       MET  76  12.668  -5.079  17.418
  547   2HB   MET  76          3HB       MET  76  13.731  -4.559  18.710
  548   1HG   MET  76          2HG       MET  76  12.237  -2.399  17.243
  549   2HG   MET  76          3HG       MET  76  11.291  -3.442  18.286
  550   1HE   MET  76          1HE       MET  76  12.571  -3.813  21.227
  551   2HE   MET  76          2HE       MET  76  11.724  -2.295  21.608
  552   3HE   MET  76          3HE       MET  76  11.046  -3.414  20.400
  553    H    GLY  77           HN       GLY  77  16.180  -5.584  16.510
  554   1HA   GLY  77          1HA       GLY  77  17.850  -4.401  18.609
  555   2HA   GLY  77          2HA       GLY  77  18.001  -6.000  17.908
  556    H    LEU  78           HN       LEU  78  17.405  -3.360  15.668
  557    HA   LEU  78           HA       LEU  78  20.165  -3.633  14.744
  558   1HB   LEU  78          2HB       LEU  78  18.041  -2.257  13.170
  559   2HB   LEU  78          3HB       LEU  78  19.430  -3.173  12.623
  560    HG   LEU  78           HG       LEU  78  16.727  -4.133  13.476
  561   1HD1  LEU  78          1HD1      LEU  78  16.566  -4.753  11.349
  562   2HD1  LEU  78          2HD1      LEU  78  18.103  -3.903  11.055
  563   3HD1  LEU  78          3HD1      LEU  78  18.106  -5.645  11.425
  564   1HD2  LEU  78          1HD2      LEU  78  18.033  -6.492  13.366
  565   2HD2  LEU  78          2HD2      LEU  78  19.284  -5.479  14.123
  566   3HD2  LEU  78          3HD2      LEU  78  17.678  -5.622  14.878
  567    H    ALA  79           HN       ALA  79  17.618  -1.175  15.504
  568    HA   ALA  79           HA       ALA  79  19.788   0.649  16.210
  569   1HB   ALA  79          1HB       ALA  79  17.639   2.107  14.944
  570   2HB   ALA  79          2HB       ALA  79  19.364   2.049  14.505
  571   3HB   ALA  79          3HB       ALA  79  18.234   0.848  13.835
  572    H    TYR  80           HN       TYR  80  16.179   0.223  16.039
  573    HA   TYR  80           HA       TYR  80  15.306   1.882  17.913
  574   1HB   TYR  80          2HB       TYR  80  14.732  -1.144  17.772
  575   2HB   TYR  80          3HB       TYR  80  13.613   0.062  18.376
  576    HD1  TYR  80           HD1      TYR  80  12.414   1.556  16.837
  577    HD2  TYR  80           HD2      TYR  80  15.103  -1.433  15.373
  578    HE1  TYR  80           HE1      TYR  80  11.445   1.817  14.501
  579    HE2  TYR  80           HE2      TYR  80  14.125  -1.161  13.043
  580    HH   TYR  80           HH       TYR  80  11.655   1.297  12.400
  Start of MODEL   23
    1    H    SER   1           HN       SER   1  -3.011  -3.224  11.880
    2    HA   SER   1           HA       SER   1  -4.078  -3.020   9.256
    3   1HB   SER   1          2HB       SER   1  -1.533  -1.443   9.784
    4   2HB   SER   1          3HB       SER   1  -2.493  -1.472   8.318
    5    HG   SER   1           HG       SER   1  -3.363   0.308   9.157
    6    H    HIS   2           HN       HIS   2  -3.461  -5.311  10.549
    7    HA   HIS   2           HA       HIS   2  -0.903  -6.182  10.710
    8   1HB   HIS   2          2HB       HIS   2  -3.073  -7.942   9.587
    9   2HB   HIS   2          3HB       HIS   2  -1.761  -8.368  10.668
   10    HD1  HIS   2           HD1      HIS   2  -1.988  -6.739  13.080
   11    HD2  HIS   2           HD2      HIS   2  -5.418  -7.892  10.959
   12    HE1  HIS   2           HE1      HIS   2  -3.934  -6.569  14.720
   13    H    SER   3           HN       SER   3   0.709  -6.893   9.321
   14    HA   SER   3           HA       SER   3   1.849  -7.042   7.480
   15   1HB   SER   3          2HB       SER   3  -0.136  -7.680   5.485
   16   2HB   SER   3          3HB       SER   3   1.052  -8.737   6.220
   17    HG   SER   3           HG       SER   3  -1.375  -9.209   6.497
   18    H    VAL   4           HN       VAL   4   2.234  -6.075   5.226
   19    HA   VAL   4           HA       VAL   4   0.518  -4.167   4.151
   20    HB   VAL   4           HB       VAL   4   1.302  -3.178   6.463
   21   1HG1  VAL   4          1HG1      VAL   4   3.777  -3.533   5.464
   22   2HG1  VAL   4          2HG1      VAL   4   3.460  -1.883   4.875
   23   3HG1  VAL   4          3HG1      VAL   4   3.369  -2.239   6.616
   24   1HG2  VAL   4          1HG2      VAL   4   1.617  -1.077   4.446
   25   2HG2  VAL   4          2HG2      VAL   4   0.228  -2.142   4.130
   26   3HG2  VAL   4          3HG2      VAL   4   0.362  -1.294   5.689
   27    H    LYS   5           HN       LYS   5   2.165  -6.379   3.336
   28    HA   LYS   5           HA       LYS   5   4.580  -5.345   2.227
   29   1HB   LYS   5          2HB       LYS   5   3.298  -7.910   2.582
   30   2HB   LYS   5          3HB       LYS   5   3.845  -7.747   0.926
   31   1HG   LYS   5          2HG       LYS   5   5.768  -6.798   3.013
   32   2HG   LYS   5          3HG       LYS   5   5.464  -8.524   2.998
   33   1HD   LYS   5          2HD       LYS   5   6.228  -6.930   0.507
   34   2HD   LYS   5          3HD       LYS   5   7.396  -7.759   1.517
   35   1HE   LYS   5          2HE       LYS   5   5.988  -9.902   1.147
   36   2HE   LYS   5          3HE       LYS   5   5.127  -9.008  -0.090
   37   1HZ   LYS   5          1HZ       LYS   5   6.905  -9.027  -1.433
   38   2HZ   LYS   5          2HZ       LYS   5   8.005  -8.918  -0.229
   39   3HZ   LYS   5          3HZ       LYS   5   7.314 -10.357  -0.577
   40    H    ILE   6           HN       ILE   6   4.554  -6.381  -0.403
   41    HA   ILE   6           HA       ILE   6   2.981  -4.304  -1.663
   42    HB   ILE   6           HB       ILE   6   5.170  -6.149  -2.594
   43   1HG1  ILE   6          2HG1      ILE   6   5.857  -3.500  -3.082
   44   2HG1  ILE   6          3HG1      ILE   6   5.020  -3.422  -1.544
   45   1HG2  ILE   6          1HG2      ILE   6   3.183  -4.656  -4.181
   46   2HG2  ILE   6          2HG2      ILE   6   4.881  -4.375  -4.638
   47   3HG2  ILE   6          3HG2      ILE   6   4.223  -6.029  -4.627
   48   1HD1  ILE   6          1HD1      ILE   6   7.456  -5.099  -2.259
   49   2HD1  ILE   6          2HD1      ILE   6   7.304  -3.859  -0.990
   50   3HD1  ILE   6          3HD1      ILE   6   6.480  -5.427  -0.807
   51    H    TYR   7           HN       TYR   7   0.829  -5.041  -1.468
   52    HA   TYR   7           HA       TYR   7   0.287  -7.482  -3.023
   53   1HB   TYR   7          2HB       TYR   7  -1.217  -6.152  -0.682
   54   2HB   TYR   7          3HB       TYR   7  -1.701  -7.650  -1.451
   55    HD1  TYR   7           HD1      TYR   7  -0.483  -6.560   1.477
   56    HD2  TYR   7           HD2      TYR   7   0.673  -9.259  -1.636
   57    HE1  TYR   7           HE1      TYR   7   0.934  -7.873   3.131
   58    HE2  TYR   7           HE2      TYR   7   2.084 -10.563   0.029
   59    HH   TYR   7           HH       TYR   7   2.332  -9.494   3.409
   60    H    ASP   8           HN       ASP   8  -1.662  -7.478  -4.320
   61    HA   ASP   8           HA       ASP   8  -2.179  -4.857  -5.336
   62   1HB   ASP   8          2HB       ASP   8  -3.584  -6.125  -7.013
   63   2HB   ASP   8          3HB       ASP   8  -1.911  -6.642  -6.952
   64    H    THR   9           HN       THR   9  -3.100  -5.040  -2.684
   65    HA   THR   9           HA       THR   9  -5.965  -5.627  -2.868
   66    HB   THR   9           HB       THR   9  -4.582  -6.650  -1.028
   67    HG1  THR   9           1HG      THR   9  -6.895  -5.862  -0.838
   68   1HG2  THR   9          1HG2      THR   9  -3.162  -4.366  -0.856
   69   2HG2  THR   9          2HG2      THR   9  -4.466  -3.922   0.272
   70   3HG2  THR   9          3HG2      THR   9  -3.468  -5.360   0.588
   71    H    CYS  10           HN       CYS  10  -6.745  -3.889  -4.078
   72    HA   CYS  10           HA       CYS  10  -7.088  -1.525  -2.512
   73   1HB   CYS  10          2HB       CYS  10  -4.836  -1.257  -3.773
   74   2HB   CYS  10          3HB       CYS  10  -5.816  -1.084  -5.215
   75    H    ILE  11           HN       ILE  11  -9.195  -0.892  -2.888
   76    HA   ILE  11           HA       ILE  11 -10.493  -2.038  -5.240
   77    HB   ILE  11           HB       ILE  11 -12.461  -2.028  -4.073
   78   1HG1  ILE  11          2HG1      ILE  11 -12.133   0.483  -3.485
   79   2HG1  ILE  11          3HG1      ILE  11 -13.190  -0.508  -2.499
   80   1HG2  ILE  11          1HG2      ILE  11 -10.299  -2.355  -1.977
   81   2HG2  ILE  11          2HG2      ILE  11 -11.992  -2.867  -1.782
   82   3HG2  ILE  11          3HG2      ILE  11 -10.975  -3.614  -3.037
   83   1HD1  ILE  11          1HD1      ILE  11 -11.215  -0.922  -0.937
   84   2HD1  ILE  11          2HD1      ILE  11 -10.315   0.293  -1.876
   85   3HD1  ILE  11          3HD1      ILE  11 -11.787   0.763  -0.991
   86    H    GLY  12           HN       GLY  12  -8.782   0.669  -4.523
   87   1HA   GLY  12          1HA       GLY  12  -8.767   2.355  -6.256
   88   2HA   GLY  12          2HA       GLY  12 -10.519   2.352  -6.225
   89    H    CYS  13           HN       CYS  13  -9.560   1.888  -3.036
   90    HA   CYS  13           HA       CYS  13 -10.165   4.631  -2.427
   91   1HB   CYS  13          2HB       CYS  13 -11.188   3.572  -0.743
   92   2HB   CYS  13          3HB       CYS  13 -10.331   2.076  -1.052
   93    H    THR  14           HN       THR  14  -8.722   5.935  -0.991
   94    HA   THR  14           HA       THR  14  -5.911   5.083  -1.130
   95    HB   THR  14           HB       THR  14  -5.405   7.512  -1.693
   96    HG1  THR  14           1HG      THR  14  -7.410   8.659  -2.424
   97   1HG2  THR  14          1HG2      THR  14  -7.251   5.945  -3.561
   98   2HG2  THR  14          2HG2      THR  14  -6.479   7.477  -4.036
   99   3HG2  THR  14          3HG2      THR  14  -5.476   6.060  -3.642
  100    H    GLN  15           HN       GLN  15  -6.807   4.322   1.096
  101    HA   GLN  15           HA       GLN  15  -6.852   6.563   2.930
  102   1HB   GLN  15          2HB       GLN  15  -7.660   4.935   4.590
  103   2HB   GLN  15          3HB       GLN  15  -8.636   4.857   3.136
  104   1HG   GLN  15          2HG       GLN  15  -7.293   2.892   2.347
  105   2HG   GLN  15          3HG       GLN  15  -6.331   2.966   3.811
  106   1HE2  GLN  15          1HE2      GLN  15  -7.126   0.723   3.938
  107   2HE2  GLN  15          2HE2      GLN  15  -8.623   0.405   4.750
  108    H    CYS  16           HN       CYS  16  -5.077   3.501   2.212
  109    HA   CYS  16           HA       CYS  16  -3.155   4.120   4.275
  110   1HB   CYS  16          2HB       CYS  16  -2.306   1.955   3.975
  111   2HB   CYS  16          3HB       CYS  16  -4.035   1.769   3.757
  112    H    VAL  17           HN       VAL  17  -3.642   5.852   1.804
  113    HA   VAL  17           HA       VAL  17  -0.906   5.697   0.744
  114    HB   VAL  17           HB       VAL  17  -3.256   6.765  -0.798
  115   1HG1  VAL  17          1HG1      VAL  17  -0.457   6.609  -1.243
  116   2HG1  VAL  17          2HG1      VAL  17  -1.227   5.458  -2.359
  117   3HG1  VAL  17          3HG1      VAL  17  -1.722   7.168  -2.364
  118   1HG2  VAL  17          1HG2      VAL  17  -4.083   4.630  -0.534
  119   2HG2  VAL  17          2HG2      VAL  17  -3.052   4.407  -1.968
  120   3HG2  VAL  17          3HG2      VAL  17  -2.467   3.903  -0.363
  121    H    ARG  18           HN       ARG  18  -2.329   7.145   3.088
  122    HA   ARG  18           HA       ARG  18  -1.564   9.809   2.194
  123   1HB   ARG  18          2HB       ARG  18  -4.006   8.857   3.519
  124   2HB   ARG  18          3HB       ARG  18  -3.226  10.096   4.482
  125   1HG   ARG  18          2HG       ARG  18  -4.630  11.334   3.027
  126   2HG   ARG  18          3HG       ARG  18  -3.051  11.468   2.278
  127   1HD   ARG  18          2HD       ARG  18  -4.185   9.071   1.230
  128   2HD   ARG  18          3HD       ARG  18  -5.486  10.245   1.219
  129    HE   ARG  18           HE       ARG  18  -2.917  11.246   0.175
  130   1HH1  ARG  18          1HH1      ARG  18  -4.173  11.450  -3.075
  131   2HH1  ARG  18          2HH1      ARG  18  -2.866  11.877  -2.021
  132   1HH2  ARG  18          1HH2      ARG  18  -5.975  10.237  -2.256
  133   2HH2  ARG  18          2HH2      ARG  18  -6.013   9.759  -0.591
  134    H    ALA  19           HN       ALA  19  -1.808   7.477   4.950
  135    HA   ALA  19           HA       ALA  19  -0.167   9.073   6.657
  136   1HB   ALA  19          1HB       ALA  19  -1.583   7.749   7.898
  137   2HB   ALA  19          2HB       ALA  19  -1.538   6.410   6.725
  138   3HB   ALA  19          3HB       ALA  19  -0.174   6.662   7.841
  139    H    CYS  20           HN       CYS  20   1.717   9.485   5.335
  140    HA   CYS  20           HA       CYS  20   3.781   7.696   5.791
  141   1HB   CYS  20          2HB       CYS  20   2.602   6.348   4.023
  142   2HB   CYS  20          3HB       CYS  20   2.902   7.649   2.886
  143    HA   PRO  21           HA       PRO  21   5.023  11.872   4.850
  144   1HB   PRO  21          2HB       PRO  21   7.082  11.999   6.643
  145   2HB   PRO  21          3HB       PRO  21   5.434  12.440   7.044
  146   1HG   PRO  21          2HG       PRO  21   6.935  10.004   7.787
  147   2HG   PRO  21          3HG       PRO  21   5.476  10.657   8.507
  148   1HD   PRO  21          2HD       PRO  21   5.655   8.421   6.720
  149   2HD   PRO  21          3HD       PRO  21   4.189   9.146   7.348
  150    H    LEU  22           HN       LEU  22   7.285   9.214   5.308
  151    HA   LEU  22           HA       LEU  22   9.315  10.331   3.763
  152   1HB   LEU  22          2HB       LEU  22   8.616   7.452   4.349
  153   2HB   LEU  22          3HB       LEU  22  10.104   7.972   3.583
  154    HG   LEU  22           HG       LEU  22   9.902   9.499   5.947
  155   1HD1  LEU  22          1HD1      LEU  22   9.652   7.855   7.712
  156   2HD1  LEU  22          2HD1      LEU  22   8.175   7.917   6.721
  157   3HD1  LEU  22          3HD1      LEU  22   9.329   6.577   6.516
  158   1HD2  LEU  22          1HD2      LEU  22  12.053   8.970   5.904
  159   2HD2  LEU  22          2HD2      LEU  22  11.667   7.282   6.318
  160   3HD2  LEU  22          3HD2      LEU  22  11.735   7.788   4.613
  161    H    ASP  23           HN       ASP  23   8.157   7.276   2.474
  162    HA   ASP  23           HA       ASP  23   6.539   8.168   0.466
  163   1HB   ASP  23          2HB       ASP  23   8.946   9.257  -0.063
  164   2HB   ASP  23          3HB       ASP  23   9.262   7.672  -0.738
  165    H    VAL  24           HN       VAL  24   5.816   6.024   1.404
  166    HA   VAL  24           HA       VAL  24   7.351   3.779   0.290
  167    HB   VAL  24           HB       VAL  24   5.640   4.052   2.757
  168   1HG1  VAL  24          1HG1      VAL  24   6.144   1.562   3.062
  169   2HG1  VAL  24          2HG1      VAL  24   4.894   1.992   1.869
  170   3HG1  VAL  24          3HG1      VAL  24   6.528   1.539   1.325
  171   1HG2  VAL  24          1HG2      VAL  24   7.567   3.641   3.978
  172   2HG2  VAL  24          2HG2      VAL  24   8.381   2.822   2.623
  173   3HG2  VAL  24          3HG2      VAL  24   8.201   4.593   2.614
  174    H    LEU  25           HN       LEU  25   3.966   4.010   1.521
  175    HA   LEU  25           HA       LEU  25   2.914   2.442  -0.488
  176   1HB   LEU  25          2HB       LEU  25   1.498   4.595   1.087
  177   2HB   LEU  25          3HB       LEU  25   0.755   3.233   0.272
  178    HG   LEU  25           HG       LEU  25   2.741   2.244   2.102
  179   1HD1  LEU  25          1HD1      LEU  25   2.367   4.456   3.219
  180   2HD1  LEU  25          2HD1      LEU  25   0.664   3.989   3.443
  181   3HD1  LEU  25          3HD1      LEU  25   1.956   3.038   4.213
  182   1HD2  LEU  25          1HD2      LEU  25  -0.166   1.923   1.556
  183   2HD2  LEU  25          2HD2      LEU  25   1.130   0.707   1.666
  184   3HD2  LEU  25          3HD2      LEU  25   0.431   1.400   3.149
  185    H    GLU  26           HN       GLU  26   3.634   2.985  -2.564
  186    HA   GLU  26           HA       GLU  26   2.629   5.564  -3.489
  187   1HB   GLU  26          2HB       GLU  26   5.103   4.033  -4.401
  188   2HB   GLU  26          3HB       GLU  26   4.478   5.450  -5.220
  189   1HG   GLU  26          2HG       GLU  26   5.184   5.468  -2.254
  190   2HG   GLU  26          3HG       GLU  26   6.361   5.844  -3.495
  191    H    MET  27           HN       MET  27   2.873   5.207  -6.251
  192    HA   MET  27           HA       MET  27   0.800   3.249  -6.647
  193   1HB   MET  27          2HB       MET  27   0.642   4.357  -8.910
  194   2HB   MET  27          3HB       MET  27   0.529   5.521  -7.605
  195   1HG   MET  27          2HG       MET  27   2.341   6.633  -8.400
  196   2HG   MET  27          3HG       MET  27   3.327   5.192  -8.238
  197   1HE   MET  27          1HE       MET  27   1.185   7.214 -11.356
  198   2HE   MET  27          2HE       MET  27   2.273   7.750 -10.052
  199   3HE   MET  27          3HE       MET  27   2.929   7.393 -11.668
  200    H    VAL  28           HN       VAL  28   1.037   1.316  -7.745
  201    HA   VAL  28           HA       VAL  28   3.628   0.892  -9.063
  202    HB   VAL  28           HB       VAL  28   3.921  -1.141  -8.049
  203   1HG1  VAL  28          1HG1      VAL  28   2.406  -0.102  -5.705
  204   2HG1  VAL  28          2HG1      VAL  28   4.097  -0.644  -5.834
  205   3HG1  VAL  28          3HG1      VAL  28   3.636   0.976  -6.410
  206   1HG2  VAL  28          1HG2      VAL  28   1.714  -1.951  -6.602
  207   2HG2  VAL  28          2HG2      VAL  28   0.986  -1.245  -8.064
  208   3HG2  VAL  28          3HG2      VAL  28   2.183  -2.554  -8.210
  209    HA   PRO  29           HA       PRO  29   1.333  -0.716 -12.358
  210   1HB   PRO  29          2HB       PRO  29   2.719  -2.911 -13.212
  211   2HB   PRO  29          3HB       PRO  29   3.204  -1.269 -13.581
  212   1HG   PRO  29          2HG       PRO  29   4.382  -3.156 -11.635
  213   2HG   PRO  29          3HG       PRO  29   5.086  -1.705 -12.319
  214   1HD   PRO  29          2HD       PRO  29   3.983  -2.003  -9.687
  215   2HD   PRO  29          3HD       PRO  29   4.580  -0.523 -10.412
  216    H    TRP  30           HN       TRP  30  -0.714  -1.357 -12.187
  217    HA   TRP  30           HA       TRP  30  -1.031  -4.123 -11.274
  218   1HB   TRP  30          2HB       TRP  30  -1.461  -2.732  -9.340
  219   2HB   TRP  30          3HB       TRP  30  -2.573  -1.733 -10.255
  220    HD1  TRP  30           HD1      TRP  30  -5.048  -2.362  -9.748
  221    HE1  TRP  30           HE1      TRP  30  -6.460  -4.485  -9.065
  222    HE3  TRP  30           HE3      TRP  30  -1.134  -5.609  -9.727
  223    HZ2  TRP  30           HZ2      TRP  30  -5.795  -7.222  -8.603
  224    HZ3  TRP  30           HZ3      TRP  30  -1.602  -7.988  -9.149
  225    HH2  TRP  30           HH2      TRP  30  -3.836  -8.810  -8.599
  226    H    ASP  31           HN       ASP  31  -3.503  -4.734 -11.776
  227    HA   ASP  31           HA       ASP  31  -4.315  -3.371 -14.202
  228   1HB   ASP  31          2HB       ASP  31  -2.913  -5.620 -14.500
  229   2HB   ASP  31          3HB       ASP  31  -4.423  -6.394 -14.060
  230    H    GLY  32           HN       GLY  32  -5.725  -2.704 -12.108
  231   1HA   GLY  32          1HA       GLY  32  -8.195  -4.217 -12.281
  232   2HA   GLY  32          2HA       GLY  32  -7.421  -4.232 -10.709
  233    H    CYS  33           HN       CYS  33  -6.203  -1.513 -11.030
  234    HA   CYS  33           HA       CYS  33  -8.458  -0.055 -10.092
  235   1HB   CYS  33          2HB       CYS  33  -5.658   0.112  -9.797
  236   2HB   CYS  33          3HB       CYS  33  -6.127   1.593 -10.606
  237    HG   CYS  33           HG       CYS  33  -6.182   0.967  -7.652
  238    H    LYS  34           HN       LYS  34  -8.750   2.315 -11.044
  239    HA   LYS  34           HA       LYS  34  -9.560   2.005 -13.720
  240   1HB   LYS  34          2HB       LYS  34 -10.174   3.692 -11.632
  241   2HB   LYS  34          3HB       LYS  34  -9.292   4.757 -12.708
  242   1HG   LYS  34          2HG       LYS  34 -11.345   2.940 -13.953
  243   2HG   LYS  34          3HG       LYS  34 -11.940   4.282 -12.995
  244   1HD   LYS  34          2HD       LYS  34 -11.491   5.741 -14.670
  245   2HD   LYS  34          3HD       LYS  34  -9.806   5.259 -14.689
  246   1HE   LYS  34          2HE       LYS  34 -10.090   3.818 -16.473
  247   2HE   LYS  34          3HE       LYS  34 -11.675   3.295 -15.939
  248   1HZ   LYS  34          1HZ       LYS  34 -11.050   5.848 -17.253
  249   2HZ   LYS  34          2HZ       LYS  34 -11.873   4.594 -17.902
  250   3HZ   LYS  34          3HZ       LYS  34 -12.525   5.451 -16.673
  251    H    ALA  35           HN       ALA  35  -6.551   2.958 -12.181
  252    HA   ALA  35           HA       ALA  35  -5.556   3.832 -14.807
  253   1HB   ALA  35          1HB       ALA  35  -4.321   4.464 -12.109
  254   2HB   ALA  35          2HB       ALA  35  -4.041   5.268 -13.672
  255   3HB   ALA  35          3HB       ALA  35  -5.594   5.479 -12.829
  256    H    GLY  36           HN       GLY  36  -5.947   1.041 -13.629
  257   1HA   GLY  36          1HA       GLY  36  -4.761  -0.857 -13.256
  258   2HA   GLY  36          2HA       GLY  36  -3.873  -0.306 -14.663
  259    H    GLN  37           HN       GLN  37  -4.035   0.879 -11.226
  260    HA   GLN  37           HA       GLN  37  -1.294   0.097 -10.884
  261   1HB   GLN  37          2HB       GLN  37  -0.642   2.422 -10.111
  262   2HB   GLN  37          3HB       GLN  37  -0.916   2.277 -11.837
  263   1HG   GLN  37          2HG       GLN  37  -2.434   3.954 -11.690
  264   2HG   GLN  37          3HG       GLN  37  -3.463   2.894 -10.749
  265   1HE2  GLN  37          1HE2      GLN  37  -3.813   3.286  -8.668
  266   2HE2  GLN  37          2HE2      GLN  37  -3.052   4.519  -7.718
  267    H    ILE  38           HN       ILE  38  -1.165  -0.822  -8.884
  268    HA   ILE  38           HA       ILE  38  -3.260  -0.140  -6.975
  269    HB   ILE  38           HB       ILE  38  -2.655  -2.517  -7.766
  270   1HG1  ILE  38          2HG1      ILE  38  -2.742  -2.986  -4.996
  271   2HG1  ILE  38          3HG1      ILE  38  -3.547  -1.446  -5.222
  272   1HG2  ILE  38          1HG2      ILE  38  -0.329  -2.631  -7.550
  273   2HG2  ILE  38          2HG2      ILE  38  -0.347  -1.892  -5.931
  274   3HG2  ILE  38          3HG2      ILE  38  -0.944  -3.554  -6.157
  275   1HD1  ILE  38          1HD1      ILE  38  -4.253  -4.143  -6.405
  276   2HD1  ILE  38          2HD1      ILE  38  -5.299  -2.988  -5.544
  277   3HD1  ILE  38          3HD1      ILE  38  -4.784  -2.649  -7.213
  278    H    ALA  39           HN       ALA  39  -2.799   0.544  -4.832
  279    HA   ALA  39           HA       ALA  39  -0.350   2.051  -4.662
  280   1HB   ALA  39          1HB       ALA  39  -2.061   3.307  -3.785
  281   2HB   ALA  39          2HB       ALA  39  -2.966   1.881  -3.224
  282   3HB   ALA  39          3HB       ALA  39  -1.566   2.469  -2.296
  283    H    SER  40           HN       SER  40   1.442   0.774  -4.316
  284    HA   SER  40           HA       SER  40   1.327  -0.805  -1.881
  285   1HB   SER  40          2HB       SER  40   2.427  -1.705  -4.575
  286   2HB   SER  40          3HB       SER  40   2.842  -2.504  -3.072
  287    HG   SER  40           HG       SER  40   0.274  -2.471  -2.874
  288    H    SER  41           HN       SER  41   3.968  -1.683  -1.764
  289    HA   SER  41           HA       SER  41   5.411   0.849  -1.901
  290   1HB   SER  41          2HB       SER  41   5.834  -1.463   0.047
  291   2HB   SER  41          3HB       SER  41   6.727   0.046   0.045
  292    HG   SER  41           HG       SER  41   3.855   0.049   0.257
  293    HA   PRO  42           HA       PRO  42   7.629  -1.911  -4.667
  294   1HB   PRO  42          2HB       PRO  42   8.289  -0.031  -6.536
  295   2HB   PRO  42          3HB       PRO  42   6.833  -1.001  -6.626
  296   1HG   PRO  42          2HG       PRO  42   7.121   1.841  -5.867
  297   2HG   PRO  42          3HG       PRO  42   5.680   0.980  -6.370
  298   1HD   PRO  42          2HD       PRO  42   6.381   1.737  -3.693
  299   2HD   PRO  42          3HD       PRO  42   5.000   0.776  -4.184
  300    H    ARG  43           HN       ARG  43   8.756   1.407  -4.176
  301    HA   ARG  43           HA       ARG  43  11.406   0.317  -3.922
  302   1HB   ARG  43          2HB       ARG  43  10.533   3.242  -3.751
  303   2HB   ARG  43          3HB       ARG  43  12.161   2.652  -4.025
  304   1HG   ARG  43          2HG       ARG  43   9.900   1.933  -5.928
  305   2HG   ARG  43          3HG       ARG  43  10.764   3.450  -6.090
  306   1HD   ARG  43          2HD       ARG  43  12.211   2.236  -7.390
  307   2HD   ARG  43          3HD       ARG  43  12.883   1.708  -5.860
  308    HE   ARG  43           HE       ARG  43  10.844  -0.092  -6.220
  309   1HH1  ARG  43          1HH1      ARG  43  12.110  -2.246  -8.657
  310   2HH1  ARG  43          2HH1      ARG  43  10.965  -2.063  -7.371
  311   1HH2  ARG  43          1HH2      ARG  43  13.521  -0.488  -9.214
  312   2HH2  ARG  43          2HH2      ARG  43  13.428   1.006  -8.341
  313    H    THR  44           HN       THR  44  11.030  -0.794  -1.840
  314    HA   THR  44           HA       THR  44  10.265   0.799   0.435
  315    HB   THR  44           HB       THR  44  11.394  -2.041   0.316
  316    HG1  THR  44           1HG      THR  44   9.190  -2.581  -0.158
  317   1HG2  THR  44          1HG2      THR  44  10.031  -2.398   2.301
  318   2HG2  THR  44          2HG2      THR  44  10.984  -0.925   2.599
  319   3HG2  THR  44          3HG2      THR  44   9.272  -0.797   2.133
  320    H    GLU  45           HN       GLU  45  12.952   0.971  -1.378
  321    HA   GLU  45           HA       GLU  45  15.096   0.478   0.141
  322   1HB   GLU  45          2HB       GLU  45  16.252   2.178  -1.124
  323   2HB   GLU  45          3HB       GLU  45  15.044   1.477  -2.181
  324   1HG   GLU  45          2HG       GLU  45  13.547   3.365  -1.877
  325   2HG   GLU  45          3HG       GLU  45  14.509   4.000  -0.557
  326    H    ASP  46           HN       ASP  46  12.658   3.031   0.609
  327    HA   ASP  46           HA       ASP  46  14.276   4.219   2.680
  328   1HB   ASP  46          2HB       ASP  46  12.114   5.071   0.933
  329   2HB   ASP  46          3HB       ASP  46  11.639   5.349   2.596
  330    H    CYS  47           HN       CYS  47  12.157   5.084   4.429
  331    HA   CYS  47           HA       CYS  47  10.708   4.438   5.973
  332   1HB   CYS  47          2HB       CYS  47   9.599   3.009   4.237
  333   2HB   CYS  47          3HB       CYS  47  10.633   1.676   4.715
  334    H    VAL  48           HN       VAL  48  11.747   4.411   7.937
  335    HA   VAL  48           HA       VAL  48  13.655   2.220   8.387
  336    HB   VAL  48           HB       VAL  48  14.666   4.471   8.152
  337   1HG1  VAL  48          1HG1      VAL  48  14.252   6.239   9.654
  338   2HG1  VAL  48          2HG1      VAL  48  12.637   5.635   9.214
  339   3HG1  VAL  48          3HG1      VAL  48  13.357   5.192  10.781
  340   1HG2  VAL  48          1HG2      VAL  48  15.846   4.394  10.463
  341   2HG2  VAL  48          2HG2      VAL  48  14.846   2.949  10.750
  342   3HG2  VAL  48          3HG2      VAL  48  15.984   2.986   9.382
  343    H    GLY  49           HN       GLY  49  10.894   1.819   8.769
  344   1HA   GLY  49          1HA       GLY  49   9.573   0.896  10.350
  345   2HA   GLY  49          2HA       GLY  49  10.858   1.096  11.525
  346    H    CYS  50           HN       CYS  50   8.114   2.722   9.885
  347    HA   CYS  50           HA       CYS  50   7.907   4.443  12.228
  348   1HB   CYS  50          2HB       CYS  50   8.342   6.321  11.113
  349   2HB   CYS  50          3HB       CYS  50   8.734   5.385   9.685
  350    H    LYS  51           HN       LYS  51   5.925   3.952  13.099
  351    HA   LYS  51           HA       LYS  51   4.038   2.358  12.023
  352   1HB   LYS  51          2HB       LYS  51   4.098   4.415  14.152
  353   2HB   LYS  51          3HB       LYS  51   2.502   4.017  13.550
  354   1HG   LYS  51          2HG       LYS  51   2.930   1.598  13.946
  355   2HG   LYS  51          3HG       LYS  51   4.556   1.959  14.489
  356   1HD   LYS  51          2HD       LYS  51   3.396   3.535  16.243
  357   2HD   LYS  51          3HD       LYS  51   1.927   2.665  15.842
  358   1HE   LYS  51          2HE       LYS  51   2.726   0.624  16.713
  359   2HE   LYS  51          3HE       LYS  51   4.409   1.066  16.499
  360   1HZ   LYS  51          1HZ       LYS  51   4.398   2.286  18.393
  361   2HZ   LYS  51          2HZ       LYS  51   2.806   2.646  18.332
  362   3HZ   LYS  51          3HZ       LYS  51   3.291   1.162  18.816
  363    H    ARG  52           HN       ARG  52   2.833   5.674  12.451
  364    HA   ARG  52           HA       ARG  52   1.566   6.898  11.192
  365   1HB   ARG  52          2HB       ARG  52   3.859   6.164   9.393
  366   2HB   ARG  52          3HB       ARG  52   2.487   6.927   8.614
  367   1HG   ARG  52          2HG       ARG  52   3.970   8.709   9.273
  368   2HG   ARG  52          3HG       ARG  52   2.606   8.772  10.373
  369   1HD   ARG  52          2HD       ARG  52   4.437   6.976  11.593
  370   2HD   ARG  52          3HD       ARG  52   5.435   8.274  10.966
  371    HE   ARG  52           HE       ARG  52   3.422   9.685  12.159
  372   1HH1  ARG  52          1HH1      ARG  52   4.089   9.363  15.570
  373   2HH1  ARG  52          2HH1      ARG  52   3.297  10.309  14.353
  374   1HH2  ARG  52          1HH2      ARG  52   5.279   7.463  14.968
  375   2HH2  ARG  52          2HH2      ARG  52   5.373   6.990  13.304
  376    H    CYS  53           HN       CYS  53   2.413   4.825   8.374
  377    HA   CYS  53           HA       CYS  53  -0.058   4.570   7.363
  378   1HB   CYS  53          2HB       CYS  53   0.743   2.430   6.313
  379   2HB   CYS  53          3HB       CYS  53   1.814   3.801   6.104
  380    H    GLU  54           HN       GLU  54  -1.785   4.251   8.816
  381    HA   GLU  54           HA       GLU  54  -1.870   1.591   9.959
  382   1HB   GLU  54          2HB       GLU  54  -1.686   4.086  11.482
  383   2HB   GLU  54          3HB       GLU  54  -3.163   3.226  11.869
  384   1HG   GLU  54          2HG       GLU  54  -1.230   1.187  11.786
  385   2HG   GLU  54          3HG       GLU  54  -0.371   2.529  12.514
  386    H    THR  55           HN       THR  55  -3.138   1.828   7.707
  387    HA   THR  55           HA       THR  55  -5.892   1.722   8.385
  388    HB   THR  55           HB       THR  55  -5.486   4.233   8.272
  389    HG1  THR  55           1HG      THR  55  -7.245   4.372   6.530
  390   1HG2  THR  55          1HG2      THR  55  -3.798   3.930   6.256
  391   2HG2  THR  55          2HG2      THR  55  -5.275   3.820   5.267
  392   3HG2  THR  55          3HG2      THR  55  -4.944   5.291   6.213
  393    H    ALA  56           HN       ALA  56  -3.905  -0.057   7.329
  394    HA   ALA  56           HA       ALA  56  -3.914  -0.224   4.568
  395   1HB   ALA  56          1HB       ALA  56  -2.527  -1.506   6.292
  396   2HB   ALA  56          2HB       ALA  56  -3.934  -2.577   6.486
  397   3HB   ALA  56          3HB       ALA  56  -3.123  -2.451   4.907
  398    H    CYS  57           HN       CYS  57  -4.983  -2.459   3.571
  399    HA   CYS  57           HA       CYS  57  -7.757  -1.831   3.541
  400   1HB   CYS  57          2HB       CYS  57  -5.907  -3.188   1.839
  401   2HB   CYS  57          3HB       CYS  57  -7.211  -4.304   2.193
  402    HA   PRO  58           HA       PRO  58  -9.157  -4.995   6.204
  403   1HB   PRO  58          2HB       PRO  58 -11.225  -6.234   4.915
  404   2HB   PRO  58          3HB       PRO  58 -11.380  -4.674   5.697
  405   1HG   PRO  58          2HG       PRO  58 -11.202  -5.292   2.812
  406   2HG   PRO  58          3HG       PRO  58 -11.774  -3.828   3.588
  407   1HD   PRO  58          2HD       PRO  58  -9.238  -4.212   2.306
  408   2HD   PRO  58          3HD       PRO  58  -9.765  -2.788   3.182
  409    H    THR  59           HN       THR  59  -9.986  -7.484   6.347
  410    HA   THR  59           HA       THR  59  -7.611  -8.893   5.570
  411    HB   THR  59           HB       THR  59 -10.226  -9.731   6.931
  412    HG1  THR  59           1HG      THR  59  -8.946  -9.262   8.778
  413   1HG2  THR  59          1HG2      THR  59  -9.406 -11.862   6.897
  414   2HG2  THR  59          2HG2      THR  59  -7.989 -11.321   5.965
  415   3HG2  THR  59          3HG2      THR  59  -7.952 -11.278   7.744
  416    H    ASP  60           HN       ASP  60 -10.431  -8.004   3.916
  417    HA   ASP  60           HA       ASP  60 -11.201 -10.228   2.602
  418   1HB   ASP  60          2HB       ASP  60 -11.314  -7.354   2.200
  419   2HB   ASP  60          3HB       ASP  60 -11.018  -8.123   0.654
  420    H    PHE  61           HN       PHE  61  -8.154  -8.476   2.450
  421    HA   PHE  61           HA       PHE  61  -7.239 -10.319   0.382
  422   1HB   PHE  61          2HB       PHE  61  -7.512  -7.348   0.336
  423   2HB   PHE  61          3HB       PHE  61  -5.879  -7.866  -0.030
  424    HD1  PHE  61           1HD      PHE  61  -6.027 -10.136  -1.672
  425    HD2  PHE  61           2HD      PHE  61  -8.720  -6.860  -1.553
  426    HE1  PHE  61           1HE      PHE  61  -6.708 -10.610  -4.041
  427    HE2  PHE  61           2HE      PHE  61  -9.402  -7.334  -3.922
  428    HZ   PHE  61           HZ       PHE  61  -8.387  -9.203  -5.137
  429    H    LEU  62           HN       LEU  62  -6.232  -7.642   2.631
  430    HA   LEU  62           HA       LEU  62  -3.597  -8.461   2.879
  431   1HB   LEU  62          2HB       LEU  62  -5.447  -6.635   4.218
  432   2HB   LEU  62          3HB       LEU  62  -4.230  -7.289   5.295
  433    HG   LEU  62           HG       LEU  62  -3.488  -6.043   2.647
  434   1HD1  LEU  62          1HD1      LEU  62  -4.898  -4.535   4.223
  435   2HD1  LEU  62          2HD1      LEU  62  -3.420  -4.484   5.215
  436   3HD1  LEU  62          3HD1      LEU  62  -3.383  -3.906   3.531
  437   1HD2  LEU  62          1HD2      LEU  62  -1.439  -5.531   4.322
  438   2HD2  LEU  62          2HD2      LEU  62  -2.044  -7.047   5.033
  439   3HD2  LEU  62          3HD2      LEU  62  -1.556  -6.998   3.321
  440    H    SER  63           HN       SER  63  -3.083  -8.831   5.621
  441    HA   SER  63           HA       SER  63  -2.981 -10.338   7.184
  442   1HB   SER  63          2HB       SER  63  -5.512 -10.096   7.240
  443   2HB   SER  63          3HB       SER  63  -5.621 -11.485   6.178
  444    HG   SER  63           HG       SER  63  -5.491 -11.530   8.827
  445    H    ILE  64           HN       ILE  64  -1.190 -11.006   5.564
  446    HA   ILE  64           HA       ILE  64  -1.604 -13.827   4.942
  447    HB   ILE  64           HB       ILE  64  -2.038 -12.625   2.879
  448   1HG1  ILE  64          2HG1      ILE  64   0.684 -13.821   2.481
  449   2HG1  ILE  64          3HG1      ILE  64  -0.602 -14.832   3.110
  450   1HG2  ILE  64          1HG2      ILE  64  -0.618 -11.089   1.876
  451   2HG2  ILE  64          2HG2      ILE  64  -0.523 -10.652   3.599
  452   3HG2  ILE  64          3HG2      ILE  64   0.787 -11.593   2.845
  453   1HD1  ILE  64          1HD1      ILE  64  -0.969 -13.125   0.615
  454   2HD1  ILE  64          2HD1      ILE  64  -0.347 -14.792   0.554
  455   3HD1  ILE  64          3HD1      ILE  64  -1.985 -14.474   1.175
  456    H    ARG  65           HN       ARG  65   0.719 -11.052   5.136
  457    HA   ARG  65           HA       ARG  65   2.462 -12.875   6.568
  458   1HB   ARG  65          2HB       ARG  65   3.116 -11.193   4.138
  459   2HB   ARG  65          3HB       ARG  65   4.367 -11.428   5.344
  460   1HG   ARG  65          2HG       ARG  65   3.052 -13.971   4.780
  461   2HG   ARG  65          3HG       ARG  65   3.585 -13.236   3.282
  462   1HD   ARG  65          2HD       ARG  65   5.870 -12.856   4.427
  463   2HD   ARG  65          3HD       ARG  65   5.293 -13.880   5.726
  464    HE   ARG  65           HE       ARG  65   5.199 -15.756   4.190
  465   1HH1  ARG  65          1HH1      ARG  65   7.092 -15.962   1.265
  466   2HH1  ARG  65          2HH1      ARG  65   6.190 -16.852   2.446
  467   1HH2  ARG  65          1HH2      ARG  65   7.294 -13.658   1.454
  468   2HH2  ARG  65          2HH2      ARG  65   6.544 -12.827   2.775
  469    H    VAL  66           HN       VAL  66   1.787 -11.827   8.547
  470    HA   VAL  66           HA       VAL  66   1.439  -9.216   9.057
  471    HB   VAL  66           HB       VAL  66   2.807 -11.324  10.734
  472   1HG1  VAL  66          1HG1      VAL  66   3.106  -9.874  12.407
  473   2HG1  VAL  66          2HG1      VAL  66   2.756  -8.568  11.249
  474   3HG1  VAL  66          3HG1      VAL  66   1.447  -9.248  12.244
  475   1HG2  VAL  66          1HG2      VAL  66   0.000 -10.345  11.149
  476   2HG2  VAL  66          2HG2      VAL  66   0.334 -11.495   9.832
  477   3HG2  VAL  66          3HG2      VAL  66   0.722 -11.931  11.513
  478    H    TYR  67           HN       TYR  67   2.656  -7.357   9.346
  479    HA   TYR  67           HA       TYR  67   5.559  -7.628   9.274
  480   1HB   TYR  67          2HB       TYR  67   3.810  -6.921   7.074
  481   2HB   TYR  67          3HB       TYR  67   4.552  -5.423   7.601
  482    HD1  TYR  67           HD1      TYR  67   4.998  -8.451   5.719
  483    HD2  TYR  67           HD2      TYR  67   7.117  -5.321   7.723
  484    HE1  TYR  67           HE1      TYR  67   7.099  -9.020   4.404
  485    HE2  TYR  67           HE2      TYR  67   9.210  -5.901   6.402
  486    HH   TYR  67           HH       TYR  67   9.528  -8.771   4.700
  487    H    LEU  68           HN       LEU  68   2.717  -5.371   9.373
  488    HA   LEU  68           HA       LEU  68   4.167  -3.338  10.693
  489   1HB   LEU  68          2HB       LEU  68   1.375  -3.870   9.881
  490   2HB   LEU  68          3HB       LEU  68   1.575  -2.790  11.247
  491    HG   LEU  68           HG       LEU  68   2.911  -2.410   8.553
  492   1HD1  LEU  68          1HD1      LEU  68   1.260  -0.794   8.009
  493   2HD1  LEU  68          2HD1      LEU  68   0.393  -2.258   8.532
  494   3HD1  LEU  68          3HD1      LEU  68   0.545  -0.872   9.638
  495   1HD2  LEU  68          1HD2      LEU  68   3.686  -1.373  10.961
  496   2HD2  LEU  68          2HD2      LEU  68   3.985  -0.624   9.374
  497   3HD2  LEU  68          3HD2      LEU  68   2.592  -0.107  10.354
  498    H    GLY  69           HN       GLY  69   1.603  -5.633  11.875
  499   1HA   GLY  69          1HA       GLY  69   2.191  -5.001  14.619
  500   2HA   GLY  69          2HA       GLY  69   1.057  -6.188  14.009
  501    H    ALA  70           HN       ALA  70   4.658  -5.641  13.892
  502    HA   ALA  70           HA       ALA  70   4.949  -8.451  14.712
  503   1HB   ALA  70          1HB       ALA  70   6.114  -8.834  12.833
  504   2HB   ALA  70          2HB       ALA  70   5.783  -7.170  12.295
  505   3HB   ALA  70          3HB       ALA  70   7.243  -7.522  13.252
  506    H    GLU  71           HN       GLU  71   6.300  -5.103  14.686
  507    HA   GLU  71           HA       GLU  71   8.362  -5.661  16.462
  508   1HB   GLU  71          2HB       GLU  71   8.320  -3.130  16.825
  509   2HB   GLU  71          3HB       GLU  71   8.502  -3.660  15.165
  510   1HG   GLU  71          2HG       GLU  71   5.666  -3.417  15.886
  511   2HG   GLU  71          3HG       GLU  71   6.519  -1.914  16.177
  512    H    THR  72           HN       THR  72   8.305  -6.162  18.608
  513    HA   THR  72           HA       THR  72   6.773  -4.803  20.487
  514    HB   THR  72           HB       THR  72   4.795  -5.835  19.479
  515    HG1  THR  72           1HG      THR  72   5.460  -5.981  21.940
  516   1HG2  THR  72          1HG2      THR  72   6.585  -8.246  19.413
  517   2HG2  THR  72          2HG2      THR  72   4.896  -8.540  19.892
  518   3HG2  THR  72          3HG2      THR  72   5.257  -7.795  18.316
  519    H    THR  73           HN       THR  73   9.352  -5.204  20.576
  520    HA   THR  73           HA       THR  73  10.825  -5.853  22.162
  521    HB   THR  73           HB       THR  73   8.500  -6.627  23.371
  522    HG1  THR  73           1HG      THR  73  10.179  -7.488  25.003
  523   1HG2  THR  73          1HG2      THR  73   8.324  -8.918  23.709
  524   2HG2  THR  73          2HG2      THR  73   9.095  -8.990  22.106
  525   3HG2  THR  73          3HG2      THR  73  10.081  -9.167  23.577
  526    H    ARG  74           HN       ARG  74   9.220  -8.037  19.917
  527    HA   ARG  74           HA       ARG  74  11.369  -9.897  20.005
  528   1HB   ARG  74          2HB       ARG  74   8.970  -9.577  18.138
  529   2HB   ARG  74          3HB       ARG  74  10.130 -10.880  17.975
  530   1HG   ARG  74          2HG       ARG  74   8.954 -12.057  19.514
  531   2HG   ARG  74          3HG       ARG  74   9.431 -10.880  20.723
  532   1HD   ARG  74          2HD       ARG  74   7.415  -9.666  20.543
  533   2HD   ARG  74          3HD       ARG  74   7.107 -10.211  18.906
  534    HE   ARG  74           HE       ARG  74   6.471 -11.665  21.392
  535   1HH1  ARG  74          1HH1      ARG  74   4.906 -14.241  19.633
  536   2HH1  ARG  74          2HH1      ARG  74   5.182 -13.541  21.193
  537   1HH2  ARG  74          1HH2      ARG  74   5.846 -13.273  17.745
  538   2HH2  ARG  74          2HH2      ARG  74   6.823 -11.851  17.895
  539    H    SER  75           HN       SER  75  10.224  -7.190  17.932
  540    HA   SER  75           HA       SER  75  12.850  -7.130  16.744
  541   1HB   SER  75          2HB       SER  75  11.048  -8.456  15.303
  542   2HB   SER  75          3HB       SER  75  10.479  -6.851  14.889
  543    HG   SER  75           HG       SER  75  12.776  -6.374  14.271
  544    H    MET  76           HN       MET  76  11.164  -5.560  18.720
  545    HA   MET  76           HA       MET  76  10.206  -3.272  17.462
  546   1HB   MET  76          2HB       MET  76   9.427  -3.514  19.667
  547   2HB   MET  76          3HB       MET  76  10.955  -4.146  20.248
  548   1HG   MET  76          2HG       MET  76  11.963  -1.879  20.160
  549   2HG   MET  76          3HG       MET  76  10.487  -1.222  19.480
  550   1HE   MET  76          1HE       MET  76   8.940  -0.331  20.388
  551   2HE   MET  76          2HE       MET  76   7.997  -0.915  21.781
  552   3HE   MET  76          3HE       MET  76   9.205   0.374  22.001
  553    H    GLY  77           HN       GLY  77  13.415  -4.150  18.837
  554   1HA   GLY  77          1HA       GLY  77  15.004  -2.712  17.210
  555   2HA   GLY  77          2HA       GLY  77  14.495  -1.504  18.373
  556    H    LEU  78           HN       LEU  78  15.092  -5.046  18.864
  557    HA   LEU  78           HA       LEU  78  16.889  -4.326  21.038
  558   1HB   LEU  78          2HB       LEU  78  15.520  -5.858  21.931
  559   2HB   LEU  78          3HB       LEU  78  15.115  -6.575  20.384
  560    HG   LEU  78           HG       LEU  78  16.344  -8.032  22.076
  561   1HD1  LEU  78          1HD1      LEU  78  16.652  -7.797  19.205
  562   2HD1  LEU  78          2HD1      LEU  78  18.095  -8.523  19.953
  563   3HD1  LEU  78          3HD1      LEU  78  16.492  -9.248  20.223
  564   1HD2  LEU  78          1HD2      LEU  78  18.310  -7.418  22.896
  565   2HD2  LEU  78          2HD2      LEU  78  18.990  -7.284  21.257
  566   3HD2  LEU  78          3HD2      LEU  78  18.181  -5.884  22.002
  567    H    ALA  79           HN       ALA  79  16.779  -6.048  17.888
  568    HA   ALA  79           HA       ALA  79  19.640  -5.703  17.686
  569   1HB   ALA  79          1HB       ALA  79  19.826  -8.195  17.025
  570   2HB   ALA  79          2HB       ALA  79  19.712  -7.812  18.760
  571   3HB   ALA  79          3HB       ALA  79  18.281  -8.405  17.883
  572    H    TYR  80           HN       TYR  80  16.669  -7.248  16.284
  573    HA   TYR  80           HA       TYR  80  17.571  -6.988  13.619
  574   1HB   TYR  80          2HB       TYR  80  14.699  -7.060  14.709
  575   2HB   TYR  80          3HB       TYR  80  15.254  -7.727  13.186
  576    HD1  TYR  80           HD1      TYR  80  17.248  -9.558  13.522
  577    HD2  TYR  80           HD2      TYR  80  14.238  -8.573  16.398
  578    HE1  TYR  80           HE1      TYR  80  17.564 -11.820  14.638
  579    HE2  TYR  80           HE2      TYR  80  14.563 -10.840  17.504
  580    HH   TYR  80           HH       TYR  80  15.359 -13.008  16.959
  Start of MODEL   24
    1    H    SER   1           HN       SER   1  -4.234  -1.612   8.188
    2    HA   SER   1           HA       SER   1  -5.894  -2.589  10.035
    3   1HB   SER   1          2HB       SER   1  -5.900  -4.324   7.605
    4   2HB   SER   1          3HB       SER   1  -5.693  -5.168   9.127
    5    HG   SER   1           HG       SER   1  -7.643  -3.590   9.731
    6    H    HIS   2           HN       HIS   2  -3.276  -3.856   7.852
    7    HA   HIS   2           HA       HIS   2  -1.228  -3.441   9.618
    8   1HB   HIS   2          2HB       HIS   2  -0.802  -5.841  10.352
    9   2HB   HIS   2          3HB       HIS   2  -2.036  -4.943  11.212
   10    HD1  HIS   2           HD1      HIS   2  -3.868  -6.529  11.797
   11    HD2  HIS   2           HD2      HIS   2  -2.396  -7.190   7.926
   12    HE1  HIS   2           HE1      HIS   2  -5.294  -8.394  10.799
   13    H    SER   3           HN       SER   3   0.815  -4.641   8.902
   14    HA   SER   3           HA       SER   3   2.181  -5.209   7.316
   15   1HB   SER   3          2HB       SER   3   1.629  -7.043   5.855
   16   2HB   SER   3          3HB       SER   3   0.773  -7.316   7.360
   17    HG   SER   3           HG       SER   3  -0.826  -5.818   5.737
   18    H    VAL   4           HN       VAL   4   2.897  -4.647   5.110
   19    HA   VAL   4           HA       VAL   4   1.003  -3.245   3.441
   20    HB   VAL   4           HB       VAL   4   2.433  -1.210   3.379
   21   1HG1  VAL   4          1HG1      VAL   4   1.273  -1.780   6.126
   22   2HG1  VAL   4          2HG1      VAL   4   1.474  -0.192   5.347
   23   3HG1  VAL   4          3HG1      VAL   4   0.309  -1.364   4.689
   24   1HG2  VAL   4          1HG2      VAL   4   3.983  -0.758   5.216
   25   2HG2  VAL   4          2HG2      VAL   4   3.692  -2.384   5.881
   26   3HG2  VAL   4          3HG2      VAL   4   4.493  -2.198   4.302
   27    H    LYS   5           HN       LYS   5   2.452  -5.733   3.219
   28    HA   LYS   5           HA       LYS   5   4.864  -5.447   1.854
   29   1HB   LYS   5          2HB       LYS   5   2.979  -7.555   2.514
   30   2HB   LYS   5          3HB       LYS   5   3.603  -7.765   0.890
   31   1HG   LYS   5          2HG       LYS   5   5.596  -7.020   3.013
   32   2HG   LYS   5          3HG       LYS   5   4.925  -8.638   3.096
   33   1HD   LYS   5          2HD       LYS   5   6.138  -7.471   0.549
   34   2HD   LYS   5          3HD       LYS   5   7.067  -8.400   1.709
   35   1HE   LYS   5          2HE       LYS   5   5.411 -10.306   1.428
   36   2HE   LYS   5          3HE       LYS   5   4.613  -9.379   0.173
   37   1HZ   LYS   5          1HZ       LYS   5   6.843  -9.287  -0.919
   38   2HZ   LYS   5          2HZ       LYS   5   7.354 -10.413   0.149
   39   3HZ   LYS   5          3HZ       LYS   5   6.139 -10.760  -0.886
   40    H    ILE   6           HN       ILE   6   4.997  -6.350  -0.577
   41    HA   ILE   6           HA       ILE   6   3.567  -4.372  -2.106
   42    HB   ILE   6           HB       ILE   6   5.683  -6.400  -2.833
   43   1HG1  ILE   6          2HG1      ILE   6   6.844  -3.988  -3.156
   44   2HG1  ILE   6          3HG1      ILE   6   5.726  -3.584  -1.867
   45   1HG2  ILE   6          1HG2      ILE   6   4.000  -5.603  -4.664
   46   2HG2  ILE   6          2HG2      ILE   6   4.921  -4.083  -4.582
   47   3HG2  ILE   6          3HG2      ILE   6   5.748  -5.603  -4.997
   48   1HD1  ILE   6          1HD1      ILE   6   6.696  -5.099  -0.352
   49   2HD1  ILE   6          2HD1      ILE   6   7.376  -6.112  -1.648
   50   3HD1  ILE   6          3HD1      ILE   6   8.114  -4.537  -1.270
   51    H    TYR   7           HN       TYR   7   1.400  -5.315  -1.600
   52    HA   TYR   7           HA       TYR   7   0.869  -7.602  -3.376
   53   1HB   TYR   7          2HB       TYR   7  -0.284  -6.615  -0.701
   54   2HB   TYR   7          3HB       TYR   7  -1.138  -7.797  -1.673
   55    HD1  TYR   7           HD1      TYR   7   0.809  -9.686  -2.578
   56    HD2  TYR   7           HD2      TYR   7   0.669  -7.609   1.160
   57    HE1  TYR   7           HE1      TYR   7   2.153 -11.547  -1.486
   58    HE2  TYR   7           HE2      TYR   7   2.013  -9.477   2.240
   59    HH   TYR   7           HH       TYR   7   3.356 -12.085   0.300
   60    H    ASP   8           HN       ASP   8  -1.484  -7.634  -4.162
   61    HA   ASP   8           HA       ASP   8  -2.010  -5.021  -5.200
   62   1HB   ASP   8          2HB       ASP   8  -3.457  -6.118  -6.744
   63   2HB   ASP   8          3HB       ASP   8  -2.125  -7.234  -6.514
   64    H    THR   9           HN       THR   9  -2.404  -5.068  -2.404
   65    HA   THR   9           HA       THR   9  -5.215  -5.583  -1.896
   66    HB   THR   9           HB       THR   9  -3.736  -6.255  -0.133
   67    HG1  THR   9           1HG      THR   9  -5.580  -4.497   0.212
   68   1HG2  THR   9          1HG2      THR   9  -1.646  -5.151  -0.614
   69   2HG2  THR   9          2HG2      THR   9  -2.412  -3.544  -0.605
   70   3HG2  THR   9          3HG2      THR   9  -2.201  -4.438   0.920
   71    H    CYS  10           HN       CYS  10  -6.399  -4.134  -3.130
   72    HA   CYS  10           HA       CYS  10  -6.549  -1.531  -1.994
   73   1HB   CYS  10          2HB       CYS  10  -4.627  -1.443  -3.748
   74   2HB   CYS  10          3HB       CYS  10  -5.906  -1.532  -4.942
   75    H    ILE  11           HN       ILE  11  -8.644  -0.665  -2.393
   76    HA   ILE  11           HA       ILE  11 -10.354  -2.404  -4.031
   77    HB   ILE  11           HB       ILE  11 -12.165  -1.855  -2.575
   78   1HG1  ILE  11          2HG1      ILE  11 -11.394  -0.531  -0.383
   79   2HG1  ILE  11          3HG1      ILE  11 -10.284   0.209  -1.518
   80   1HG2  ILE  11          1HG2      ILE  11  -9.672  -3.028  -1.525
   81   2HG2  ILE  11          2HG2      ILE  11 -10.854  -2.535  -0.289
   82   3HG2  ILE  11          3HG2      ILE  11 -11.328  -3.679  -1.568
   83   1HD1  ILE  11          1HD1      ILE  11 -12.126   1.613  -1.767
   84   2HD1  ILE  11          2HD1      ILE  11 -12.470   0.419  -3.041
   85   3HD1  ILE  11          3HD1      ILE  11 -13.295   0.305  -1.467
   86    H    GLY  12           HN       GLY  12  -8.888   0.699  -3.699
   87   1HA   GLY  12          1HA       GLY  12  -9.036   2.063  -5.708
   88   2HA   GLY  12          2HA       GLY  12 -10.767   1.787  -5.711
   89    H    CYS  13           HN       CYS  13  -8.874   2.319  -2.717
   90    HA   CYS  13           HA       CYS  13 -10.258   4.889  -2.463
   91   1HB   CYS  13          2HB       CYS  13 -10.979   4.292  -0.437
   92   2HB   CYS  13          3HB       CYS  13 -10.428   2.664  -0.780
   93    H    THR  14           HN       THR  14  -8.914   6.279  -0.677
   94    HA   THR  14           HA       THR  14  -6.044   5.915  -1.141
   95    HB   THR  14           HB       THR  14  -5.939   8.403  -1.670
   96    HG1  THR  14           1HG      THR  14  -8.141   8.686  -0.645
   97   1HG2  THR  14          1HG2      THR  14  -6.955   6.296  -3.400
   98   2HG2  THR  14          2HG2      THR  14  -7.796   7.818  -3.778
   99   3HG2  THR  14          3HG2      THR  14  -6.019   7.740  -3.855
  100    H    GLN  15           HN       GLN  15  -6.187   5.054   1.061
  101    HA   GLN  15           HA       GLN  15  -6.335   7.279   2.942
  102   1HB   GLN  15          2HB       GLN  15  -7.218   5.753   4.642
  103   2HB   GLN  15          3HB       GLN  15  -8.256   5.722   3.230
  104   1HG   GLN  15          2HG       GLN  15  -7.003   3.655   2.433
  105   2HG   GLN  15          3HG       GLN  15  -6.121   3.658   3.947
  106   1HE2  GLN  15          1HE2      GLN  15  -7.015   1.561   4.276
  107   2HE2  GLN  15          2HE2      GLN  15  -8.611   1.354   4.920
  108    H    CYS  16           HN       CYS  16  -4.910   4.057   2.139
  109    HA   CYS  16           HA       CYS  16  -2.860   4.401   4.117
  110   1HB   CYS  16          2HB       CYS  16  -2.231   2.213   3.668
  111   2HB   CYS  16          3HB       CYS  16  -3.953   2.177   3.349
  112    H    VAL  17           HN       VAL  17  -3.396   6.205   1.578
  113    HA   VAL  17           HA       VAL  17  -0.665   6.014   0.510
  114    HB   VAL  17           HB       VAL  17  -1.942   7.482  -1.331
  115   1HG1  VAL  17          1HG1      VAL  17  -1.393   5.756  -2.653
  116   2HG1  VAL  17          2HG1      VAL  17  -0.849   4.937  -1.169
  117   3HG1  VAL  17          3HG1      VAL  17  -2.488   4.643  -1.797
  118   1HG2  VAL  17          1HG2      VAL  17  -4.079   5.622  -0.233
  119   2HG2  VAL  17          2HG2      VAL  17  -4.114   7.401  -0.219
  120   3HG2  VAL  17          3HG2      VAL  17  -4.177   6.522  -1.765
  121    H    ARG  18           HN       ARG  18  -2.535   7.597   2.746
  122    HA   ARG  18           HA       ARG  18  -1.170  10.108   2.191
  123   1HB   ARG  18          2HB       ARG  18  -3.948   9.508   2.916
  124   2HB   ARG  18          3HB       ARG  18  -3.232  10.587   4.095
  125   1HG   ARG  18          2HG       ARG  18  -4.052  12.093   2.480
  126   2HG   ARG  18          3HG       ARG  18  -2.366  11.946   2.025
  127   1HD   ARG  18          2HD       ARG  18  -3.720   9.813   0.688
  128   2HD   ARG  18          3HD       ARG  18  -4.738  11.226   0.491
  129    HE   ARG  18           HE       ARG  18  -2.298  10.771  -0.881
  130   1HH1  ARG  18          1HH1      ARG  18  -1.545  14.092  -1.642
  131   2HH1  ARG  18          2HH1      ARG  18  -1.232  12.433  -2.031
  132   1HH2  ARG  18          1HH2      ARG  18  -3.045  14.625   0.047
  133   2HH2  ARG  18          2HH2      ARG  18  -3.853  13.364   0.917
  134    H    ALA  19           HN       ALA  19  -2.383   7.858   4.763
  135    HA   ALA  19           HA       ALA  19  -1.372   9.006   6.992
  136   1HB   ALA  19          1HB       ALA  19  -2.406   6.509   6.213
  137   2HB   ALA  19          2HB       ALA  19  -0.837   6.141   6.970
  138   3HB   ALA  19          3HB       ALA  19  -2.069   7.056   7.872
  139    H    CYS  20           HN       CYS  20   0.413   6.634   4.885
  140    HA   CYS  20           HA       CYS  20   2.801   6.743   6.184
  141   1HB   CYS  20          2HB       CYS  20   2.194   5.197   4.313
  142   2HB   CYS  20          3HB       CYS  20   2.436   6.511   3.179
  143    HA   PRO  21           HA       PRO  21   3.822  10.959   5.400
  144   1HB   PRO  21          2HB       PRO  21   6.019  11.089   7.019
  145   2HB   PRO  21          3HB       PRO  21   4.384  11.342   7.599
  146   1HG   PRO  21          2HG       PRO  21   6.135   8.986   7.957
  147   2HG   PRO  21          3HG       PRO  21   4.701   9.436   8.858
  148   1HD   PRO  21          2HD       PRO  21   4.893   7.409   6.837
  149   2HD   PRO  21          3HD       PRO  21   3.437   7.938   7.657
  150    H    LEU  22           HN       LEU  22   6.638   8.833   5.695
  151    HA   LEU  22           HA       LEU  22   8.325  10.133   4.065
  152   1HB   LEU  22          2HB       LEU  22   7.865   7.154   4.247
  153   2HB   LEU  22          3HB       LEU  22   9.267   7.899   3.505
  154    HG   LEU  22           HG       LEU  22   9.297   9.085   5.970
  155   1HD1  LEU  22          1HD1      LEU  22   7.766   8.002   7.228
  156   2HD1  LEU  22          2HD1      LEU  22   7.786   6.544   6.206
  157   3HD1  LEU  22          3HD1      LEU  22   9.080   6.813   7.398
  158   1HD2  LEU  22          1HD2      LEU  22  11.325   8.317   5.265
  159   2HD2  LEU  22          2HD2      LEU  22  10.946   7.070   6.477
  160   3HD2  LEU  22          3HD2      LEU  22  10.681   6.740   4.748
  161    H    ASP  23           HN       ASP  23   6.865   7.224   2.570
  162    HA   ASP  23           HA       ASP  23   5.184   8.129   0.796
  163   1HB   ASP  23          2HB       ASP  23   6.752   8.545  -1.283
  164   2HB   ASP  23          3HB       ASP  23   6.411   9.865  -0.182
  165    H    VAL  24           HN       VAL  24   5.682   5.693   1.900
  166    HA   VAL  24           HA       VAL  24   7.237   4.073   0.073
  167    HB   VAL  24           HB       VAL  24   5.761   3.568   2.652
  168   1HG1  VAL  24          1HG1      VAL  24   5.545   1.413   2.109
  169   2HG1  VAL  24          2HG1      VAL  24   6.409   1.659   0.572
  170   3HG1  VAL  24          3HG1      VAL  24   7.321   1.303   2.059
  171   1HG2  VAL  24          1HG2      VAL  24   8.570   2.804   2.498
  172   2HG2  VAL  24          2HG2      VAL  24   8.325   4.522   2.105
  173   3HG2  VAL  24          3HG2      VAL  24   7.739   3.872   3.653
  174    H    LEU  25           HN       LEU  25   3.840   4.050   1.379
  175    HA   LEU  25           HA       LEU  25   2.920   2.257  -0.567
  176   1HB   LEU  25          2HB       LEU  25   1.432   4.256   1.141
  177   2HB   LEU  25          3HB       LEU  25   0.683   2.980   0.201
  178    HG   LEU  25           HG       LEU  25   2.692   1.795   1.865
  179   1HD1  LEU  25          1HD1      LEU  25   1.244   2.442   4.034
  180   2HD1  LEU  25          2HD1      LEU  25   2.734   3.291   3.559
  181   3HD1  LEU  25          3HD1      LEU  25   1.146   3.980   3.146
  182   1HD2  LEU  25          1HD2      LEU  25  -0.130   1.432   2.619
  183   2HD2  LEU  25          2HD2      LEU  25   0.220   1.157   0.895
  184   3HD2  LEU  25          3HD2      LEU  25   1.102   0.240   2.142
  185    H    GLU  26           HN       GLU  26   3.920   3.129  -2.537
  186    HA   GLU  26           HA       GLU  26   2.483   5.476  -3.498
  187   1HB   GLU  26          2HB       GLU  26   5.084   4.327  -4.596
  188   2HB   GLU  26          3HB       GLU  26   4.351   5.861  -5.022
  189   1HG   GLU  26          2HG       GLU  26   4.530   6.383  -2.434
  190   2HG   GLU  26          3HG       GLU  26   5.694   5.072  -2.419
  191    H    MET  27           HN       MET  27   2.326   5.400  -6.085
  192    HA   MET  27           HA       MET  27   0.656   3.235  -6.636
  193   1HB   MET  27          2HB       MET  27   1.984   5.355  -8.410
  194   2HB   MET  27          3HB       MET  27   0.772   4.243  -9.013
  195   1HG   MET  27          2HG       MET  27  -0.573   6.069  -8.430
  196   2HG   MET  27          3HG       MET  27  -0.669   5.122  -6.959
  197   1HE   MET  27          1HE       MET  27  -1.104   8.222  -7.629
  198   2HE   MET  27          2HE       MET  27  -1.405   7.779  -5.931
  199   3HE   MET  27          3HE       MET  27  -0.325   9.141  -6.319
  200    H    VAL  28           HN       VAL  28   0.966   1.318  -7.787
  201    HA   VAL  28           HA       VAL  28   3.650   0.899  -8.890
  202    HB   VAL  28           HB       VAL  28   3.967  -1.071  -7.771
  203   1HG1  VAL  28          1HG1      VAL  28   3.324  -0.730  -5.359
  204   2HG1  VAL  28          2HG1      VAL  28   4.129   0.662  -6.124
  205   3HG1  VAL  28          3HG1      VAL  28   2.365   0.678  -5.879
  206   1HG2  VAL  28          1HG2      VAL  28   1.761  -1.953  -6.407
  207   2HG2  VAL  28          2HG2      VAL  28   1.025  -1.274  -7.880
  208   3HG2  VAL  28          3HG2      VAL  28   2.271  -2.538  -8.008
  209    HA   PRO  29           HA       PRO  29   1.558  -0.922 -12.209
  210   1HB   PRO  29          2HB       PRO  29   3.048  -3.106 -12.904
  211   2HB   PRO  29          3HB       PRO  29   3.499  -1.465 -13.322
  212   1HG   PRO  29          2HG       PRO  29   4.644  -3.230 -11.246
  213   2HG   PRO  29          3HG       PRO  29   5.333  -1.786 -11.961
  214   1HD   PRO  29          2HD       PRO  29   4.122  -2.008  -9.370
  215   2HD   PRO  29          3HD       PRO  29   4.706  -0.541 -10.132
  216    H    TRP  30           HN       TRP  30  -0.485  -1.586 -12.026
  217    HA   TRP  30           HA       TRP  30  -0.755  -4.332 -11.034
  218   1HB   TRP  30          2HB       TRP  30  -1.302  -2.849  -9.189
  219   2HB   TRP  30          3HB       TRP  30  -2.426  -1.958 -10.194
  220    HD1  TRP  30           HD1      TRP  30  -4.880  -2.672  -9.694
  221    HE1  TRP  30           HE1      TRP  30  -6.212  -4.825  -8.953
  222    HE3  TRP  30           HE3      TRP  30  -0.830  -5.737  -9.459
  223    HZ2  TRP  30           HZ2      TRP  30  -5.439  -7.509  -8.365
  224    HZ3  TRP  30           HZ3      TRP  30  -1.205  -8.110  -8.793
  225    HH2  TRP  30           HH2      TRP  30  -3.414  -9.008  -8.256
  226    H    ASP  31           HN       ASP  31  -3.210  -5.015 -11.593
  227    HA   ASP  31           HA       ASP  31  -3.942  -3.799 -14.119
  228   1HB   ASP  31          2HB       ASP  31  -2.501  -6.080 -14.175
  229   2HB   ASP  31          3HB       ASP  31  -4.068  -6.802 -13.872
  230    H    GLY  32           HN       GLY  32  -5.404  -3.093 -12.031
  231   1HA   GLY  32          1HA       GLY  32  -7.846  -4.675 -12.237
  232   2HA   GLY  32          2HA       GLY  32  -7.135  -4.534 -10.641
  233    H    CYS  33           HN       CYS  33  -6.010  -1.826 -11.026
  234    HA   CYS  33           HA       CYS  33  -8.337  -0.379 -10.325
  235   1HB   CYS  33          2HB       CYS  33  -5.486  -0.029 -10.130
  236   2HB   CYS  33          3HB       CYS  33  -6.187   1.415 -10.832
  237    HG   CYS  33           HG       CYS  33  -8.322   1.127  -8.961
  238    H    LYS  34           HN       LYS  34  -8.807   1.826 -11.469
  239    HA   LYS  34           HA       LYS  34  -9.495   1.302 -14.122
  240   1HB   LYS  34          2HB       LYS  34  -9.817   3.437 -12.171
  241   2HB   LYS  34          3HB       LYS  34  -9.532   4.082 -13.775
  242   1HG   LYS  34          2HG       LYS  34 -11.401   1.788 -13.783
  243   2HG   LYS  34          3HG       LYS  34 -11.977   3.127 -12.808
  244   1HD   LYS  34          2HD       LYS  34 -12.724   4.005 -14.777
  245   2HD   LYS  34          3HD       LYS  34 -11.055   4.464 -15.048
  246   1HE   LYS  34          2HE       LYS  34 -10.637   2.349 -16.275
  247   2HE   LYS  34          3HE       LYS  34 -12.267   1.802 -15.935
  248   1HZ   LYS  34          1HZ       LYS  34 -11.384   3.858 -17.768
  249   2HZ   LYS  34          2HZ       LYS  34 -12.557   2.737 -17.950
  250   3HZ   LYS  34          3HZ       LYS  34 -12.836   4.073 -17.053
  251    H    ALA  35           HN       ALA  35  -6.558   2.531 -12.617
  252    HA   ALA  35           HA       ALA  35  -5.538   3.197 -15.293
  253   1HB   ALA  35          1HB       ALA  35  -3.840   4.538 -14.005
  254   2HB   ALA  35          2HB       ALA  35  -5.513   5.113 -13.811
  255   3HB   ALA  35          3HB       ALA  35  -4.744   4.162 -12.519
  256    H    GLY  36           HN       GLY  36  -5.857   0.525 -13.713
  257   1HA   GLY  36          1HA       GLY  36  -4.626  -1.306 -13.230
  258   2HA   GLY  36          2HA       GLY  36  -3.743  -0.864 -14.678
  259    H    GLN  37           HN       GLN  37  -3.974   0.534 -11.322
  260    HA   GLN  37           HA       GLN  37  -1.224  -0.113 -10.895
  261   1HB   GLN  37          2HB       GLN  37  -0.634   2.304 -10.344
  262   2HB   GLN  37          3HB       GLN  37  -0.827   1.948 -12.050
  263   1HG   GLN  37          2HG       GLN  37  -2.387   3.586 -12.180
  264   2HG   GLN  37          3HG       GLN  37  -3.430   2.638 -11.139
  265   1HE2  GLN  37          1HE2      GLN  37  -3.810   3.253  -9.107
  266   2HE2  GLN  37          2HE2      GLN  37  -3.117   4.631  -8.318
  267    H    ILE  38           HN       ILE  38  -1.138  -0.843  -8.817
  268    HA   ILE  38           HA       ILE  38  -3.232   0.078  -7.001
  269    HB   ILE  38           HB       ILE  38  -2.487  -2.419  -7.630
  270   1HG1  ILE  38          2HG1      ILE  38  -3.234  -2.438  -4.854
  271   2HG1  ILE  38          3HG1      ILE  38  -4.085  -1.136  -5.659
  272   1HG2  ILE  38          1HG2      ILE  38  -0.217  -1.695  -6.403
  273   2HG2  ILE  38          2HG2      ILE  38  -1.138  -2.255  -4.987
  274   3HG2  ILE  38          3HG2      ILE  38  -0.861  -3.353  -6.361
  275   1HD1  ILE  38          1HD1      ILE  38  -5.062  -2.616  -7.276
  276   2HD1  ILE  38          2HD1      ILE  38  -3.940  -3.932  -6.855
  277   3HD1  ILE  38          3HD1      ILE  38  -5.216  -3.450  -5.711
  278    H    ALA  39           HN       ALA  39  -2.767   1.024  -4.989
  279    HA   ALA  39           HA       ALA  39  -0.187   2.316  -4.903
  280   1HB   ALA  39          1HB       ALA  39  -1.752   3.866  -4.290
  281   2HB   ALA  39          2HB       ALA  39  -2.879   2.637  -3.665
  282   3HB   ALA  39          3HB       ALA  39  -1.491   3.158  -2.678
  283    H    SER  40           HN       SER  40   1.479   1.046  -4.197
  284    HA   SER  40           HA       SER  40   1.250   0.049  -1.533
  285   1HB   SER  40          2HB       SER  40   1.093  -1.747  -3.872
  286   2HB   SER  40          3HB       SER  40   2.387  -2.185  -2.774
  287    HG   SER  40           HG       SER  40   0.714  -3.218  -1.832
  288    H    SER  41           HN       SER  41   3.590  -1.418  -1.314
  289    HA   SER  41           HA       SER  41   5.507   0.617  -1.605
  290   1HB   SER  41          2HB       SER  41   5.420  -2.169  -0.505
  291   2HB   SER  41          3HB       SER  41   7.003  -1.559  -0.943
  292    HG   SER  41           HG       SER  41   5.208   0.016   0.669
  293    HA   PRO  42           HA       PRO  42   6.771  -0.600  -5.629
  294   1HB   PRO  42          2HB       PRO  42   8.663   1.333  -6.021
  295   2HB   PRO  42          3HB       PRO  42   6.956   1.588  -6.325
  296   1HG   PRO  42          2HG       PRO  42   8.603   2.564  -4.073
  297   2HG   PRO  42          3HG       PRO  42   7.040   3.138  -4.620
  298   1HD   PRO  42          2HD       PRO  42   7.556   1.485  -2.334
  299   2HD   PRO  42          3HD       PRO  42   5.986   1.964  -2.949
  300    H    ARG  43           HN       ARG  43   9.344   0.311  -3.381
  301    HA   ARG  43           HA       ARG  43  10.491  -2.271  -3.897
  302   1HB   ARG  43          2HB       ARG  43  11.999   0.348  -4.372
  303   2HB   ARG  43          3HB       ARG  43  12.786  -1.214  -4.260
  304   1HG   ARG  43          2HG       ARG  43  11.365  -2.034  -6.179
  305   2HG   ARG  43          3HG       ARG  43  10.661  -0.434  -6.313
  306   1HD   ARG  43          2HD       ARG  43  12.952   0.522  -6.724
  307   2HD   ARG  43          3HD       ARG  43  13.632  -1.090  -6.625
  308    HE   ARG  43           HE       ARG  43  12.716  -1.611  -8.744
  309   1HH1  ARG  43          1HH1      ARG  43  10.998   0.483 -10.944
  310   2HH1  ARG  43          2HH1      ARG  43  11.814  -1.034 -10.762
  311   1HH2  ARG  43          1HH2      ARG  43  10.822   1.929  -9.137
  312   2HH2  ARG  43          2HH2      ARG  43  11.506   1.492  -7.607
  313    H    THR  44           HN       THR  44   9.207  -0.455  -1.700
  314    HA   THR  44           HA       THR  44   9.596   0.202   0.417
  315    HB   THR  44           HB       THR  44  11.023  -2.510   0.370
  316    HG1  THR  44           1HG      THR  44   8.805  -2.330  -0.579
  317   1HG2  THR  44          1HG2      THR  44   9.801  -2.610   2.676
  318   2HG2  THR  44          2HG2      THR  44  11.287  -1.634   2.594
  319   3HG2  THR  44          3HG2      THR  44   9.695  -0.839   2.550
  320    H    GLU  45           HN       GLU  45  11.687   1.020  -1.627
  321    HA   GLU  45           HA       GLU  45  14.198   0.846  -0.622
  322   1HB   GLU  45          2HB       GLU  45  14.658   2.943  -1.868
  323   2HB   GLU  45          3HB       GLU  45  13.678   1.836  -2.807
  324   1HG   GLU  45          2HG       GLU  45  11.682   3.104  -2.456
  325   2HG   GLU  45          3HG       GLU  45  12.361   3.968  -1.090
  326    H    ASP  46           HN       ASP  46  11.457   2.814   0.502
  327    HA   ASP  46           HA       ASP  46  13.234   4.145   2.369
  328   1HB   ASP  46          2HB       ASP  46  10.800   4.872   0.956
  329   2HB   ASP  46          3HB       ASP  46  10.515   5.008   2.679
  330    H    CYS  47           HN       CYS  47  11.303   4.691   4.424
  331    HA   CYS  47           HA       CYS  47  10.156   3.825   6.103
  332   1HB   CYS  47          2HB       CYS  47   8.893   2.463   4.419
  333   2HB   CYS  47          3HB       CYS  47  10.058   1.172   4.631
  334    H    VAL  48           HN       VAL  48  11.036   3.188   8.085
  335    HA   VAL  48           HA       VAL  48  13.020   1.108   8.162
  336    HB   VAL  48           HB       VAL  48  14.345   3.029   7.448
  337   1HG1  VAL  48          1HG1      VAL  48  13.010   4.356   9.795
  338   2HG1  VAL  48          2HG1      VAL  48  14.635   4.873   9.285
  339   3HG1  VAL  48          3HG1      VAL  48  13.272   4.965   8.143
  340   1HG2  VAL  48          1HG2      VAL  48  14.730   1.597   9.979
  341   2HG2  VAL  48          2HG2      VAL  48  15.861   1.875   8.634
  342   3HG2  VAL  48          3HG2      VAL  48  15.642   3.123   9.886
  343    H    GLY  49           HN       GLY  49  10.413   1.206   9.181
  344   1HA   GLY  49          1HA       GLY  49   9.529   0.489  11.168
  345   2HA   GLY  49          2HA       GLY  49  10.979   0.987  12.018
  346    H    CYS  50           HN       CYS  50   7.972   2.197  10.444
  347    HA   CYS  50           HA       CYS  50   7.963   4.342  12.409
  348   1HB   CYS  50          2HB       CYS  50   8.365   5.950  10.923
  349   2HB   CYS  50          3HB       CYS  50   8.518   4.769   9.637
  350    H    LYS  51           HN       LYS  51   6.087   3.937  13.532
  351    HA   LYS  51           HA       LYS  51   3.985   2.431  12.310
  352   1HB   LYS  51          2HB       LYS  51   2.888   2.812  14.558
  353   2HB   LYS  51          3HB       LYS  51   4.411   1.948  14.578
  354   1HG   LYS  51          2HG       LYS  51   5.560   3.692  15.595
  355   2HG   LYS  51          3HG       LYS  51   4.586   4.932  14.828
  356   1HD   LYS  51          2HD       LYS  51   2.633   4.046  16.337
  357   2HD   LYS  51          3HD       LYS  51   3.889   3.237  17.253
  358   1HE   LYS  51          2HE       LYS  51   4.781   5.225  18.072
  359   2HE   LYS  51          3HE       LYS  51   4.361   6.136  16.635
  360   1HZ   LYS  51          1HZ       LYS  51   2.839   5.711  18.994
  361   2HZ   LYS  51          2HZ       LYS  51   2.697   6.880  17.864
  362   3HZ   LYS  51          3HZ       LYS  51   1.971   5.434  17.639
  363    H    ARG  52           HN       ARG  52   3.219   3.655  10.544
  364    HA   ARG  52           HA       ARG  52   1.326   5.598  11.309
  365   1HB   ARG  52          2HB       ARG  52   3.967   6.492  10.392
  366   2HB   ARG  52          3HB       ARG  52   2.719   7.042   9.292
  367   1HG   ARG  52          2HG       ARG  52   2.005   7.352  12.161
  368   2HG   ARG  52          3HG       ARG  52   3.407   8.287  11.678
  369   1HD   ARG  52          2HD       ARG  52   1.968   9.834  10.835
  370   2HD   ARG  52          3HD       ARG  52   1.592   8.690   9.563
  371    HE   ARG  52           HE       ARG  52  -0.441   8.163  10.636
  372   1HH1  ARG  52          1HH1      ARG  52  -1.784   9.469  13.581
  373   2HH1  ARG  52          2HH1      ARG  52  -2.102   8.526  12.163
  374   1HH2  ARG  52          1HH2      ARG  52   0.329  10.363  13.930
  375   2HH2  ARG  52          2HH2      ARG  52   1.588  10.087  12.773
  376    H    CYS  53           HN       CYS  53   0.538   3.383  10.220
  377    HA   CYS  53           HA       CYS  53  -0.378   4.081   7.651
  378   1HB   CYS  53          2HB       CYS  53   0.623   2.102   6.440
  379   2HB   CYS  53          3HB       CYS  53   1.727   3.423   6.768
  380    H    GLU  54           HN       GLU  54  -1.668   3.563  10.053
  381    HA   GLU  54           HA       GLU  54  -2.377   0.773  10.051
  382   1HB   GLU  54          2HB       GLU  54  -3.663   1.334  12.087
  383   2HB   GLU  54          3HB       GLU  54  -2.011   1.906  12.209
  384   1HG   GLU  54          2HG       GLU  54  -3.509   4.014  10.974
  385   2HG   GLU  54          3HG       GLU  54  -4.477   3.439  12.317
  386    H    THR  55           HN       THR  55  -3.076   1.817   7.615
  387    HA   THR  55           HA       THR  55  -5.946   1.585   7.703
  388    HB   THR  55           HB       THR  55  -5.380   4.069   8.110
  389    HG1  THR  55           1HG      THR  55  -7.302   4.248   7.017
  390   1HG2  THR  55          1HG2      THR  55  -3.468   4.278   6.508
  391   2HG2  THR  55          2HG2      THR  55  -4.549   3.819   5.170
  392   3HG2  THR  55          3HG2      THR  55  -4.809   5.350   6.040
  393    H    ALA  56           HN       ALA  56  -3.445   0.181   6.705
  394    HA   ALA  56           HA       ALA  56  -3.093   0.433   4.013
  395   1HB   ALA  56          1HB       ALA  56  -2.840  -2.231   4.303
  396   2HB   ALA  56          2HB       ALA  56  -1.647  -1.083   4.957
  397   3HB   ALA  56          3HB       ALA  56  -2.894  -1.774   6.023
  398    H    CYS  57           HN       CYS  57  -5.688  -1.336   5.796
  399    HA   CYS  57           HA       CYS  57  -7.665  -0.847   4.021
  400   1HB   CYS  57          2HB       CYS  57  -5.848  -2.614   2.764
  401   2HB   CYS  57          3HB       CYS  57  -7.224  -3.596   3.226
  402    HA   PRO  58           HA       PRO  58  -9.615  -3.119   7.182
  403   1HB   PRO  58          2HB       PRO  58 -12.043  -3.740   6.092
  404   2HB   PRO  58          3HB       PRO  58 -11.663  -2.160   6.749
  405   1HG   PRO  58          2HG       PRO  58 -11.876  -2.988   3.919
  406   2HG   PRO  58          3HG       PRO  58 -11.921  -1.373   4.596
  407   1HD   PRO  58          2HD       PRO  58  -9.714  -2.604   3.240
  408   2HD   PRO  58          3HD       PRO  58  -9.722  -1.034   4.020
  409    H    THR  59           HN       THR  59  -7.715  -4.625   5.794
  410    HA   THR  59           HA       THR  59  -7.081  -6.762   5.734
  411    HB   THR  59           HB       THR  59  -9.838  -7.561   6.774
  412    HG1  THR  59           1HG      THR  59  -7.434  -6.606   8.162
  413   1HG2  THR  59          1HG2      THR  59  -8.767  -9.454   7.606
  414   2HG2  THR  59          2HG2      THR  59  -7.687  -9.151   6.224
  415   3HG2  THR  59          3HG2      THR  59  -7.228  -8.594   7.852
  416    H    ASP  60           HN       ASP  60  -9.439  -5.324   3.901
  417    HA   ASP  60           HA       ASP  60 -10.776  -7.057   2.491
  418   1HB   ASP  60          2HB       ASP  60  -9.529  -4.516   1.966
  419   2HB   ASP  60          3HB       ASP  60  -9.283  -5.510   0.543
  420    H    PHE  61           HN       PHE  61  -7.212  -6.669   2.496
  421    HA   PHE  61           HA       PHE  61  -7.018  -9.149   0.963
  422   1HB   PHE  61          2HB       PHE  61  -5.633  -6.441   0.570
  423   2HB   PHE  61          3HB       PHE  61  -4.902  -7.910  -0.046
  424    HD1  PHE  61           1HD      PHE  61  -7.408  -5.383  -0.586
  425    HD2  PHE  61           2HD      PHE  61  -6.133  -9.251  -1.780
  426    HE1  PHE  61           1HE      PHE  61  -8.788  -5.192  -2.674
  427    HE2  PHE  61           2HE      PHE  61  -7.513  -9.060  -3.868
  428    HZ   PHE  61           HZ       PHE  61  -8.825  -7.034  -4.290
  429    H    LEU  62           HN       LEU  62  -4.271  -7.051   1.780
  430    HA   LEU  62           HA       LEU  62  -2.409  -7.681   2.882
  431   1HB   LEU  62          2HB       LEU  62  -4.418  -7.729   5.136
  432   2HB   LEU  62          3HB       LEU  62  -2.695  -7.433   5.274
  433    HG   LEU  62           HG       LEU  62  -3.746  -5.330   5.455
  434   1HD1  LEU  62          1HD1      LEU  62  -1.742  -5.337   4.045
  435   2HD1  LEU  62          2HD1      LEU  62  -2.756  -5.567   2.600
  436   3HD1  LEU  62          3HD1      LEU  62  -2.889  -4.069   3.552
  437   1HD2  LEU  62          1HD2      LEU  62  -5.134  -5.073   2.933
  438   2HD2  LEU  62          2HD2      LEU  62  -5.763  -6.452   3.865
  439   3HD2  LEU  62          3HD2      LEU  62  -5.729  -4.829   4.593
  440    H    SER  63           HN       SER  63  -3.073  -9.329   5.581
  441    HA   SER  63           HA       SER  63  -2.836 -11.382   6.241
  442   1HB   SER  63          2HB       SER  63  -4.960 -11.546   4.608
  443   2HB   SER  63          3HB       SER  63  -3.883 -12.570   3.679
  444    HG   SER  63           HG       SER  63  -3.824 -13.181   6.398
  445    H    ILE  64           HN       ILE  64  -2.164 -13.838   4.938
  446    HA   ILE  64           HA       ILE  64  -0.450 -14.950   4.103
  447    HB   ILE  64           HB       ILE  64  -0.010 -12.478   2.426
  448   1HG1  ILE  64          2HG1      ILE  64  -1.334 -14.965   1.417
  449   2HG1  ILE  64          3HG1      ILE  64  -2.272 -13.873   2.415
  450   1HG2  ILE  64          1HG2      ILE  64   0.841 -15.200   1.547
  451   2HG2  ILE  64          2HG2      ILE  64   1.516 -13.599   1.156
  452   3HG2  ILE  64          3HG2      ILE  64   1.851 -14.345   2.738
  453   1HD1  ILE  64          1HD1      ILE  64  -1.419 -11.977   0.852
  454   2HD1  ILE  64          2HD1      ILE  64  -0.921 -13.291  -0.241
  455   3HD1  ILE  64          3HD1      ILE  64  -2.635 -13.099   0.196
  456    H    ARG  65           HN       ARG  65   1.025 -11.646   3.960
  457    HA   ARG  65           HA       ARG  65   2.948 -12.654   5.896
  458   1HB   ARG  65          2HB       ARG  65   3.213 -11.166   3.389
  459   2HB   ARG  65          3HB       ARG  65   3.945 -10.261   4.699
  460   1HG   ARG  65          2HG       ARG  65   4.573 -13.171   4.731
  461   2HG   ARG  65          3HG       ARG  65   5.178 -12.323   3.323
  462   1HD   ARG  65          2HD       ARG  65   6.930 -11.667   4.622
  463   2HD   ARG  65          3HD       ARG  65   5.815 -10.568   5.409
  464    HE   ARG  65           HE       ARG  65   5.743 -11.990   7.280
  465   1HH1  ARG  65          1HH1      ARG  65   7.285 -15.077   7.802
  466   2HH1  ARG  65          2HH1      ARG  65   6.423 -13.770   8.542
  467   1HH2  ARG  65          1HH2      ARG  65   7.750 -15.020   5.529
  468   2HH2  ARG  65          2HH2      ARG  65   7.235 -13.672   4.572
  469    H    VAL  66           HN       VAL  66   3.662 -11.181   7.621
  470    HA   VAL  66           HA       VAL  66   1.903  -8.859   7.979
  471    HB   VAL  66           HB       VAL  66   1.188 -10.887   9.288
  472   1HG1  VAL  66          1HG1      VAL  66   3.822 -10.376  10.711
  473   2HG1  VAL  66          2HG1      VAL  66   2.507 -11.395  11.347
  474   3HG1  VAL  66          3HG1      VAL  66   3.335 -11.850   9.838
  475   1HG2  VAL  66          1HG2      VAL  66   1.826  -9.062  11.461
  476   2HG2  VAL  66          2HG2      VAL  66   1.306  -8.183  10.003
  477   3HG2  VAL  66          3HG2      VAL  66   0.256  -9.434  10.708
  478    H    TYR  67           HN       TYR  67   2.986  -6.998   8.448
  479    HA   TYR  67           HA       TYR  67   5.830  -7.307   9.138
  480   1HB   TYR  67          2HB       TYR  67   4.146  -5.584   7.311
  481   2HB   TYR  67          3HB       TYR  67   5.435  -4.733   8.140
  482    HD1  TYR  67           HD1      TYR  67   4.898  -7.858   6.128
  483    HD2  TYR  67           HD2      TYR  67   7.528  -4.637   7.132
  484    HE1  TYR  67           HE1      TYR  67   6.560  -8.661   4.381
  485    HE2  TYR  67           HE2      TYR  67   9.183  -5.451   5.382
  486    HH   TYR  67           HH       TYR  67   8.349  -8.076   3.199
  487    H    LEU  68           HN       LEU  68   3.145  -4.856   9.361
  488    HA   LEU  68           HA       LEU  68   4.121  -3.306  11.322
  489   1HB   LEU  68          2HB       LEU  68   1.322  -4.235  10.740
  490   2HB   LEU  68          3HB       LEU  68   1.651  -3.109  12.043
  491    HG   LEU  68           HG       LEU  68   2.236  -2.684   9.101
  492   1HD1  LEU  68          1HD1      LEU  68   0.601  -0.640  10.019
  493   2HD1  LEU  68          2HD1      LEU  68   0.106  -2.041   9.038
  494   3HD1  LEU  68          3HD1      LEU  68  -0.049  -2.095  10.811
  495   1HD2  LEU  68          1HD2      LEU  68   2.516  -0.252  10.460
  496   2HD2  LEU  68          2HD2      LEU  68   3.411  -1.441  11.436
  497   3HD2  LEU  68          3HD2      LEU  68   3.800  -1.231   9.712
  498    H    GLY  69           HN       GLY  69   3.670  -3.188  13.697
  499   1HA   GLY  69          1HA       GLY  69   3.981  -4.064  15.745
  500   2HA   GLY  69          2HA       GLY  69   2.791  -5.258  15.272
  501    H    ALA  70           HN       ALA  70   6.227  -4.554  14.288
  502    HA   ALA  70           HA       ALA  70   7.279  -6.835  15.517
  503   1HB   ALA  70          1HB       ALA  70   7.513  -7.469  12.684
  504   2HB   ALA  70          2HB       ALA  70   6.974  -8.497  14.034
  505   3HB   ALA  70          3HB       ALA  70   5.808  -7.447  13.195
  506    H    GLU  71           HN       GLU  71   7.372  -4.517  12.763
  507    HA   GLU  71           HA       GLU  71   9.987  -4.575  12.158
  508   1HB   GLU  71          2HB       GLU  71   8.032  -2.258  12.325
  509   2HB   GLU  71          3HB       GLU  71   9.668  -2.015  11.747
  510   1HG   GLU  71          2HG       GLU  71   7.849  -4.167  10.586
  511   2HG   GLU  71          3HG       GLU  71   7.859  -2.528   9.967
  512    H    THR  72           HN       THR  72   8.763  -1.886  14.261
  513    HA   THR  72           HA       THR  72  11.285  -2.083  15.757
  514    HB   THR  72           HB       THR  72  10.698   0.047  14.479
  515    HG1  THR  72           1HG      THR  72  10.619   0.136  17.413
  516   1HG2  THR  72          1HG2      THR  72   8.376   0.450  14.730
  517   2HG2  THR  72          2HG2      THR  72   8.372  -0.092  16.426
  518   3HG2  THR  72          3HG2      THR  72   9.063   1.493  15.999
  519    H    THR  73           HN       THR  73   8.961  -3.894  16.150
  520    HA   THR  73           HA       THR  73   7.711  -2.979  18.573
  521    HB   THR  73           HB       THR  73   7.747  -5.712  17.187
  522    HG1  THR  73           1HG      THR  73   6.152  -3.257  17.068
  523   1HG2  THR  73          1HG2      THR  73   5.480  -4.519  18.816
  524   2HG2  THR  73          2HG2      THR  73   5.800  -6.227  18.432
  525   3HG2  THR  73          3HG2      THR  73   6.791  -5.388  19.650
  526    H    ARG  74           HN       ARG  74   9.937  -5.743  17.799
  527    HA   ARG  74           HA       ARG  74  10.459  -6.062  20.559
  528   1HB   ARG  74          2HB       ARG  74  11.988  -7.857  19.826
  529   2HB   ARG  74          3HB       ARG  74  10.483  -7.968  18.935
  530   1HG   ARG  74          2HG       ARG  74  12.039  -6.234  17.363
  531   2HG   ARG  74          3HG       ARG  74  13.205  -7.406  17.946
  532   1HD   ARG  74          2HD       ARG  74  11.282  -9.157  17.253
  533   2HD   ARG  74          3HD       ARG  74  10.780  -7.848  16.201
  534    HE   ARG  74           HE       ARG  74  13.187  -9.478  15.921
  535   1HH1  ARG  74          1HH1      ARG  74  14.368  -7.648  13.196
  536   2HH1  ARG  74          2HH1      ARG  74  14.537  -9.104  14.116
  537   1HH2  ARG  74          1HH2      ARG  74  12.769  -6.076  13.795
  538   2HH2  ARG  74          2HH2      ARG  74  11.746  -6.359  15.163
  539    H    SER  75           HN       SER  75  11.665  -4.033  18.027
  540    HA   SER  75           HA       SER  75  14.179  -3.678  19.447
  541   1HB   SER  75          2HB       SER  75  13.735  -4.027  16.756
  542   2HB   SER  75          3HB       SER  75  13.748  -2.277  16.851
  543    HG   SER  75           HG       SER  75  15.875  -3.673  16.606
  544    H    MET  76           HN       MET  76  11.394  -2.650  20.191
  545    HA   MET  76           HA       MET  76  11.029  -0.042  19.564
  546   1HB   MET  76          2HB       MET  76  10.148  -1.944  21.570
  547   2HB   MET  76          3HB       MET  76  10.467  -0.428  22.389
  548   1HG   MET  76          2HG       MET  76   8.891  -0.372  19.806
  549   2HG   MET  76          3HG       MET  76   8.085  -0.903  21.270
  550   1HE   MET  76          1HE       MET  76   6.520   0.609  20.988
  551   2HE   MET  76          2HE       MET  76   6.543   1.927  22.183
  552   3HE   MET  76          3HE       MET  76   6.742   2.292  20.453
  553    H    GLY  77           HN       GLY  77  12.952  -1.372  22.348
  554   1HA   GLY  77          1HA       GLY  77  15.115  -0.333  22.739
  555   2HA   GLY  77          2HA       GLY  77  14.366   1.224  22.452
  556    H    LEU  78           HN       LEU  78  12.737  -1.422  24.228
  557    HA   LEU  78           HA       LEU  78  12.710   0.317  26.570
  558   1HB   LEU  78          2HB       LEU  78  11.115  -2.204  26.208
  559   2HB   LEU  78          3HB       LEU  78  10.801  -0.844  27.268
  560    HG   LEU  78           HG       LEU  78  10.381  -1.049  24.292
  561   1HD1  LEU  78          1HD1      LEU  78   8.656  -1.679  26.142
  562   2HD1  LEU  78          2HD1      LEU  78   8.453   0.082  26.297
  563   3HD1  LEU  78          3HD1      LEU  78   8.139  -0.716  24.736
  564   1HD2  LEU  78          1HD2      LEU  78  10.143   1.560  25.787
  565   2HD2  LEU  78          2HD2      LEU  78  11.634   1.086  24.940
  566   3HD2  LEU  78          3HD2      LEU  78  10.113   1.266  24.032
  567    H    ALA  79           HN       ALA  79  13.449  -3.078  25.556
  568    HA   ALA  79           HA       ALA  79  15.444  -3.162  27.663
  569   1HB   ALA  79          1HB       ALA  79  14.256  -5.657  27.903
  570   2HB   ALA  79          2HB       ALA  79  14.048  -4.297  29.033
  571   3HB   ALA  79          3HB       ALA  79  12.858  -4.568  27.737
  572    H    TYR  80           HN       TYR  80  13.721  -4.923  25.001
  573    HA   TYR  80           HA       TYR  80  15.490  -6.817  24.339
  574   1HB   TYR  80          2HB       TYR  80  14.246  -4.760  22.412
  575   2HB   TYR  80          3HB       TYR  80  14.615  -6.428  22.021
  576    HD1  TYR  80           HD1      TYR  80  12.187  -4.158  23.469
  577    HD2  TYR  80           HD2      TYR  80  13.265  -8.279  23.074
  578    HE1  TYR  80           HE1      TYR  80   9.837  -4.847  24.153
  579    HE2  TYR  80           HE2      TYR  80  10.912  -8.953  23.759
  580    HH   TYR  80           HH       TYR  80   8.429  -7.289  23.549
  Start of MODEL   25
    1    H    SER   1           HN       SER   1  -4.502  -3.579   8.644
    2    HA   SER   1           HA       SER   1  -4.260  -1.471  10.637
    3   1HB   SER   1          2HB       SER   1  -5.179  -4.358  10.771
    4   2HB   SER   1          3HB       SER   1  -4.646  -3.535  12.223
    5    HG   SER   1           HG       SER   1  -6.783  -3.051  12.216
    6    H    HIS   2           HN       HIS   2  -2.991  -4.793   9.837
    7    HA   HIS   2           HA       HIS   2  -0.411  -3.880  10.884
    8   1HB   HIS   2          2HB       HIS   2  -1.529  -5.501  12.388
    9   2HB   HIS   2          3HB       HIS   2  -1.590  -6.664  11.079
   10    HD1  HIS   2           HD1      HIS   2   0.029  -8.432  11.852
   11    HD2  HIS   2           HD2      HIS   2   1.627  -4.562  12.122
   12    HE1  HIS   2           HE1      HIS   2   2.482  -8.715  12.498
   13    H    SER   3           HN       SER   3   1.481  -5.136   9.906
   14    HA   SER   3           HA       SER   3   2.650  -5.620   8.141
   15   1HB   SER   3          2HB       SER   3   1.954  -7.459   6.773
   16   2HB   SER   3          3HB       SER   3   1.236  -7.731   8.347
   17    HG   SER   3           HG       SER   3  -0.529  -6.244   6.949
   18    H    VAL   4           HN       VAL   4   2.802  -5.419   5.614
   19    HA   VAL   4           HA       VAL   4   0.833  -4.002   4.222
   20    HB   VAL   4           HB       VAL   4   1.461  -2.243   5.853
   21   1HG1  VAL   4          1HG1      VAL   4   4.135  -2.118   4.439
   22   2HG1  VAL   4          2HG1      VAL   4   3.605  -1.226   5.885
   23   3HG1  VAL   4          3HG1      VAL   4   3.895  -2.980   5.978
   24   1HG2  VAL   4          1HG2      VAL   4   0.598  -1.132   4.085
   25   2HG2  VAL   4          2HG2      VAL   4   2.282  -0.620   3.822
   26   3HG2  VAL   4          3HG2      VAL   4   1.617  -1.997   2.909
   27    H    LYS   5           HN       LYS   5   2.235  -6.293   3.663
   28    HA   LYS   5           HA       LYS   5   4.647  -5.817   2.284
   29   1HB   LYS   5          2HB       LYS   5   2.814  -8.070   2.780
   30   2HB   LYS   5          3HB       LYS   5   3.645  -8.155   1.240
   31   1HG   LYS   5          2HG       LYS   5   5.713  -7.378   2.895
   32   2HG   LYS   5          3HG       LYS   5   4.752  -8.335   4.004
   33   1HD   LYS   5          2HD       LYS   5   6.157  -9.959   3.037
   34   2HD   LYS   5          3HD       LYS   5   4.693 -10.126   2.088
   35   1HE   LYS   5          2HE       LYS   5   5.716  -9.414   0.172
   36   2HE   LYS   5          3HE       LYS   5   6.492  -8.067   0.980
   37   1HZ   LYS   5          1HZ       LYS   5   8.068  -9.713   1.905
   38   2HZ   LYS   5          2HZ       LYS   5   7.411 -10.852   0.936
   39   3HZ   LYS   5          3HZ       LYS   5   8.153  -9.553   0.282
   40    H    ILE   6           HN       ILE   6   4.635  -6.726  -0.206
   41    HA   ILE   6           HA       ILE   6   3.144  -4.692  -1.590
   42    HB   ILE   6           HB       ILE   6   5.228  -6.708  -2.401
   43   1HG1  ILE   6          2HG1      ILE   6   6.162  -4.212  -3.022
   44   2HG1  ILE   6          3HG1      ILE   6   5.203  -3.864  -1.596
   45   1HG2  ILE   6          1HG2      ILE   6   3.304  -5.291  -4.083
   46   2HG2  ILE   6          2HG2      ILE   6   4.996  -4.943  -4.513
   47   3HG2  ILE   6          3HG2      ILE   6   4.415  -6.625  -4.475
   48   1HD1  ILE   6          1HD1      ILE   6   6.402  -5.595  -0.310
   49   2HD1  ILE   6          2HD1      ILE   6   7.323  -6.055  -1.761
   50   3HD1  ILE   6          3HD1      ILE   6   7.563  -4.453  -1.026
   51    H    TYR   7           HN       TYR   7   0.981  -5.106  -1.776
   52    HA   TYR   7           HA       TYR   7   0.300  -7.635  -3.099
   53   1HB   TYR   7          2HB       TYR   7  -1.128  -6.152  -0.803
   54   2HB   TYR   7          3HB       TYR   7  -1.744  -7.603  -1.568
   55    HD1  TYR   7           HD1      TYR   7   0.672  -9.297  -1.756
   56    HD2  TYR   7           HD2      TYR   7  -0.661  -6.745   1.407
   57    HE1  TYR   7           HE1      TYR   7   1.937 -10.717  -0.068
   58    HE2  TYR   7           HE2      TYR   7   0.608  -8.173   3.085
   59    HH   TYR   7           HH       TYR   7   1.358 -10.665   3.122
   60    H    ASP   8           HN       ASP   8  -1.557  -7.539  -4.489
   61    HA   ASP   8           HA       ASP   8  -1.959  -4.878  -5.481
   62   1HB   ASP   8          2HB       ASP   8  -3.453  -6.288  -7.159
   63   2HB   ASP   8          3HB       ASP   8  -1.705  -6.345  -7.277
   64    H    THR   9           HN       THR   9  -3.063  -5.304  -2.869
   65    HA   THR   9           HA       THR   9  -5.914  -5.789  -3.314
   66    HB   THR   9           HB       THR   9  -4.691  -6.977  -1.462
   67    HG1  THR   9           1HG      THR   9  -6.414  -4.831  -0.472
   68   1HG2  THR   9          1HG2      THR   9  -4.589  -4.295  -0.037
   69   2HG2  THR   9          2HG2      THR   9  -3.762  -5.813   0.389
   70   3HG2  THR   9          3HG2      THR   9  -3.190  -4.844  -0.991
   71    H    CYS  10           HN       CYS  10  -6.724  -3.993  -4.338
   72    HA   CYS  10           HA       CYS  10  -6.943  -1.688  -2.642
   73   1HB   CYS  10          2HB       CYS  10  -4.796  -1.356  -3.982
   74   2HB   CYS  10          3HB       CYS  10  -5.800  -1.262  -5.415
   75    H    ILE  11           HN       ILE  11  -8.981  -0.763  -2.968
   76    HA   ILE  11           HA       ILE  11 -10.537  -1.940  -5.150
   77    HB   ILE  11           HB       ILE  11 -12.483  -1.410  -3.843
   78   1HG1  ILE  11          2HG1      ILE  11 -11.806  -0.617  -1.351
   79   2HG1  ILE  11          3HG1      ILE  11 -10.565   0.221  -2.262
   80   1HG2  ILE  11          1HG2      ILE  11 -12.209  -2.981  -2.077
   81   2HG2  ILE  11          2HG2      ILE  11 -11.162  -3.509  -3.416
   82   3HG2  ILE  11          3HG2      ILE  11 -10.455  -2.692  -2.001
   83   1HD1  ILE  11          1HD1      ILE  11 -13.565   0.374  -2.815
   84   2HD1  ILE  11          2HD1      ILE  11 -12.584   1.631  -2.023
   85   3HD1  ILE  11          3HD1      ILE  11 -12.302   1.229  -3.733
   86    H    GLY  12           HN       GLY  12  -8.904   0.923  -4.127
   87   1HA   GLY  12          1HA       GLY  12  -8.690   2.577  -5.913
   88   2HA   GLY  12          2HA       GLY  12 -10.427   2.493  -6.122
   89    H    CYS  13           HN       CYS  13  -8.780   2.373  -2.935
   90    HA   CYS  13           HA       CYS  13 -10.062   4.935  -2.339
   91   1HB   CYS  13          2HB       CYS  13 -10.870   3.990  -0.491
   92   2HB   CYS  13          3HB       CYS  13 -10.189   2.455  -0.987
   93    H    THR  14           HN       THR  14  -8.748   6.136  -0.478
   94    HA   THR  14           HA       THR  14  -5.867   5.760  -0.897
   95    HB   THR  14           HB       THR  14  -5.646   8.209  -1.241
   96    HG1  THR  14           1HG      THR  14  -7.643   9.428  -1.214
   97   1HG2  THR  14          1HG2      THR  14  -7.906   7.898  -3.098
   98   2HG2  THR  14          2HG2      THR  14  -6.174   8.076  -3.465
   99   3HG2  THR  14          3HG2      THR  14  -6.850   6.466  -3.120
  100    H    GLN  15           HN       GLN  15  -5.933   4.668   1.165
  101    HA   GLN  15           HA       GLN  15  -6.187   6.623   3.315
  102   1HB   GLN  15          2HB       GLN  15  -7.065   4.911   4.788
  103   2HB   GLN  15          3HB       GLN  15  -8.037   4.918   3.330
  104   1HG   GLN  15          2HG       GLN  15  -6.606   3.018   2.435
  105   2HG   GLN  15          3HG       GLN  15  -5.777   2.967   3.978
  106   1HE2  GLN  15          1HE2      GLN  15  -6.457   0.869   4.353
  107   2HE2  GLN  15          2HE2      GLN  15  -8.071   0.465   4.833
  108    H    CYS  16           HN       CYS  16  -4.634   3.583   2.128
  109    HA   CYS  16           HA       CYS  16  -2.574   3.829   4.129
  110   1HB   CYS  16          2HB       CYS  16  -1.864   1.692   3.493
  111   2HB   CYS  16          3HB       CYS  16  -3.606   1.621   3.316
  112    H    VAL  17           HN       VAL  17  -3.137   5.865   1.866
  113    HA   VAL  17           HA       VAL  17  -0.416   5.820   0.759
  114    HB   VAL  17           HB       VAL  17  -2.796   6.959  -0.687
  115   1HG1  VAL  17          1HG1      VAL  17  -0.280   5.811  -1.894
  116   2HG1  VAL  17          2HG1      VAL  17  -1.414   7.003  -2.573
  117   3HG1  VAL  17          3HG1      VAL  17  -0.318   7.472  -1.252
  118   1HG2  VAL  17          1HG2      VAL  17  -1.980   4.098  -0.426
  119   2HG2  VAL  17          2HG2      VAL  17  -3.591   4.815  -0.674
  120   3HG2  VAL  17          3HG2      VAL  17  -2.457   4.678  -2.040
  121    H    ARG  18           HN       ARG  18  -2.219   7.134   3.089
  122    HA   ARG  18           HA       ARG  18  -1.254   9.817   2.494
  123   1HB   ARG  18          2HB       ARG  18  -3.877   8.889   3.302
  124   2HB   ARG  18          3HB       ARG  18  -3.228   9.867   4.603
  125   1HG   ARG  18          2HG       ARG  18  -4.320  11.439   3.192
  126   2HG   ARG  18          3HG       ARG  18  -2.623  11.618   2.791
  127   1HD   ARG  18          2HD       ARG  18  -3.067   9.861   0.908
  128   2HD   ARG  18          3HD       ARG  18  -4.770  10.154   1.203
  129    HE   ARG  18           HE       ARG  18  -4.570  12.242   0.162
  130   1HH1  ARG  18          1HH1      ARG  18  -1.747  13.969  -0.944
  131   2HH1  ARG  18          2HH1      ARG  18  -3.478  13.918  -0.943
  132   1HH2  ARG  18          1HH2      ARG  18  -0.537  12.337   0.176
  133   2HH2  ARG  18          2HH2      ARG  18  -1.364  11.066   1.013
  134    H    ALA  19           HN       ALA  19  -2.060   7.472   5.157
  135    HA   ALA  19           HA       ALA  19  -0.485   8.878   7.068
  136   1HB   ALA  19          1HB       ALA  19  -2.123   7.692   8.142
  137   2HB   ALA  19          2HB       ALA  19  -2.139   6.399   6.919
  138   3HB   ALA  19          3HB       ALA  19  -0.866   6.431   8.163
  139    H    CYS  20           HN       CYS  20   1.599   9.121   6.083
  140    HA   CYS  20           HA       CYS  20   3.343   7.005   6.664
  141   1HB   CYS  20          2HB       CYS  20   2.409   6.063   4.563
  142   2HB   CYS  20          3HB       CYS  20   2.930   7.494   3.696
  143    HA   PRO  21           HA       PRO  21   5.126  11.116   6.610
  144   1HB   PRO  21          2HB       PRO  21   6.604  10.851   8.893
  145   2HB   PRO  21          3HB       PRO  21   4.962  11.464   8.880
  146   1HG   PRO  21          2HG       PRO  21   5.943   8.811   9.739
  147   2HG   PRO  21          3HG       PRO  21   4.415   9.587  10.105
  148   1HD   PRO  21          2HD       PRO  21   4.861   7.483   8.206
  149   2HD   PRO  21          3HD       PRO  21   3.358   8.339   8.489
  150    H    LEU  22           HN       LEU  22   5.935   9.264   4.793
  151    HA   LEU  22           HA       LEU  22   8.772   9.829   4.848
  152   1HB   LEU  22          2HB       LEU  22   7.611   7.081   5.073
  153   2HB   LEU  22          3HB       LEU  22   9.077   7.318   4.140
  154    HG   LEU  22           HG       LEU  22   9.184   8.589   6.785
  155   1HD1  LEU  22          1HD1      LEU  22   7.835   6.797   7.557
  156   2HD1  LEU  22          2HD1      LEU  22   8.726   5.607   6.578
  157   3HD1  LEU  22          3HD1      LEU  22   9.516   6.384   7.970
  158   1HD2  LEU  22          1HD2      LEU  22  11.355   8.307   6.426
  159   2HD2  LEU  22          2HD2      LEU  22  11.159   6.545   6.276
  160   3HD2  LEU  22          3HD2      LEU  22  10.953   7.588   4.848
  161    H    ASP  23           HN       ASP  23   7.725   7.229   2.801
  162    HA   ASP  23           HA       ASP  23   6.576   8.799   0.789
  163   1HB   ASP  23          2HB       ASP  23   9.260   7.746  -0.081
  164   2HB   ASP  23          3HB       ASP  23   8.326   9.068  -0.750
  165    H    VAL  24           HN       VAL  24   6.011   6.339   2.193
  166    HA   VAL  24           HA       VAL  24   6.654   4.268   0.227
  167    HB   VAL  24           HB       VAL  24   5.423   3.927   2.959
  168   1HG1  VAL  24          1HG1      VAL  24   6.802   2.071   1.002
  169   2HG1  VAL  24          2HG1      VAL  24   6.527   1.647   2.709
  170   3HG1  VAL  24          3HG1      VAL  24   5.142   1.972   1.639
  171   1HG2  VAL  24          1HG2      VAL  24   7.472   3.873   4.000
  172   2HG2  VAL  24          2HG2      VAL  24   8.348   3.462   2.506
  173   3HG2  VAL  24          3HG2      VAL  24   7.779   5.127   2.776
  174    H    LEU  25           HN       LEU  25   4.783   2.641  -0.137
  175    HA   LEU  25           HA       LEU  25   2.756   2.227  -0.904
  176   1HB   LEU  25          2HB       LEU  25   1.864   4.476   0.906
  177   2HB   LEU  25          3HB       LEU  25   0.810   3.316   0.121
  178    HG   LEU  25           HG       LEU  25   2.826   1.902   1.619
  179   1HD1  LEU  25          1HD1      LEU  25   2.046   2.638   3.904
  180   2HD1  LEU  25          2HD1      LEU  25   3.108   3.779   3.043
  181   3HD1  LEU  25          3HD1      LEU  25   1.355   4.077   3.119
  182   1HD2  LEU  25          1HD2      LEU  25   0.172   1.604   0.914
  183   2HD2  LEU  25          2HD2      LEU  25   1.101   0.540   1.997
  184   3HD2  LEU  25          3HD2      LEU  25   0.102   1.849   2.676
  185    H    GLU  26           HN       GLU  26   3.894   3.048  -2.917
  186    HA   GLU  26           HA       GLU  26   2.652   5.540  -3.779
  187   1HB   GLU  26          2HB       GLU  26   5.132   4.141  -4.878
  188   2HB   GLU  26          3HB       GLU  26   4.482   5.657  -5.467
  189   1HG   GLU  26          2HG       GLU  26   4.983   5.534  -2.519
  190   2HG   GLU  26          3HG       GLU  26   6.415   5.475  -3.528
  191    H    MET  27           HN       MET  27   2.929   5.261  -6.567
  192    HA   MET  27           HA       MET  27   0.861   3.324  -7.021
  193   1HB   MET  27          2HB       MET  27   0.871   4.408  -9.335
  194   2HB   MET  27          3HB       MET  27   0.609   5.546  -8.027
  195   1HG   MET  27          2HG       MET  27   2.532   6.680  -8.500
  196   2HG   MET  27          3HG       MET  27   3.478   5.207  -8.552
  197   1HE   MET  27          1HE       MET  27   4.978   5.779 -10.435
  198   2HE   MET  27          2HE       MET  27   4.346   4.136 -10.695
  199   3HE   MET  27          3HE       MET  27   4.498   5.259 -12.068
  200    H    VAL  28           HN       VAL  28   1.094   1.365  -8.063
  201    HA   VAL  28           HA       VAL  28   3.688   0.881  -9.351
  202    HB   VAL  28           HB       VAL  28   3.981  -1.109  -8.267
  203   1HG1  VAL  28          1HG1      VAL  28   3.447  -0.791  -5.833
  204   2HG1  VAL  28          2HG1      VAL  28   4.244   0.602  -6.602
  205   3HG1  VAL  28          3HG1      VAL  28   2.493   0.642  -6.286
  206   1HG2  VAL  28          1HG2      VAL  28   1.789  -2.066  -8.873
  207   2HG2  VAL  28          2HG2      VAL  28   2.238  -2.443  -7.191
  208   3HG2  VAL  28          3HG2      VAL  28   1.035  -1.175  -7.529
  209    HA   PRO  29           HA       PRO  29   1.382  -0.793 -12.604
  210   1HB   PRO  29          2HB       PRO  29   2.770  -3.005 -13.414
  211   2HB   PRO  29          3HB       PRO  29   3.252  -1.369 -13.820
  212   1HG   PRO  29          2HG       PRO  29   4.438  -3.212 -11.836
  213   2HG   PRO  29          3HG       PRO  29   5.136  -1.774 -12.554
  214   1HD   PRO  29          2HD       PRO  29   4.044  -2.016  -9.914
  215   2HD   PRO  29          3HD       PRO  29   4.635  -0.552 -10.673
  216    H    TRP  30           HN       TRP  30  -0.656  -1.464 -12.471
  217    HA   TRP  30           HA       TRP  30  -0.963  -4.193 -11.451
  218   1HB   TRP  30          2HB       TRP  30  -1.438  -2.736  -9.578
  219   2HB   TRP  30          3HB       TRP  30  -2.539  -1.777 -10.548
  220    HD1  TRP  30           HD1      TRP  30  -5.016  -2.395 -10.038
  221    HE1  TRP  30           HE1      TRP  30  -6.430  -4.501  -9.310
  222    HE3  TRP  30           HE3      TRP  30  -1.096  -5.631  -9.888
  223    HZ2  TRP  30           HZ2      TRP  30  -5.766  -7.222  -8.765
  224    HZ3  TRP  30           HZ3      TRP  30  -1.566  -7.995  -9.249
  225    HH2  TRP  30           HH2      TRP  30  -3.805  -8.806  -8.699
  226    H    ASP  31           HN       ASP  31  -3.418  -4.850 -11.970
  227    HA   ASP  31           HA       ASP  31  -4.186  -3.601 -14.474
  228   1HB   ASP  31          2HB       ASP  31  -2.805  -5.896 -14.589
  229   2HB   ASP  31          3HB       ASP  31  -4.355  -6.605 -14.185
  230    H    GLY  32           HN       GLY  32  -5.613  -2.818 -12.419
  231   1HA   GLY  32          1HA       GLY  32  -8.097  -4.323 -12.559
  232   2HA   GLY  32          2HA       GLY  32  -7.352  -4.233 -10.976
  233    H    CYS  33           HN       CYS  33  -6.124  -1.555 -11.396
  234    HA   CYS  33           HA       CYS  33  -8.401  -0.031 -10.639
  235   1HB   CYS  33          2HB       CYS  33  -5.607   0.141 -10.261
  236   2HB   CYS  33          3HB       CYS  33  -6.048   1.579 -11.161
  237    HG   CYS  33           HG       CYS  33  -5.995   1.797  -8.419
  238    H    LYS  34           HN       LYS  34  -8.642   2.278 -11.740
  239    HA   LYS  34           HA       LYS  34  -9.369   1.819 -14.416
  240   1HB   LYS  34          2HB       LYS  34 -10.039   3.627 -12.467
  241   2HB   LYS  34          3HB       LYS  34  -9.074   4.622 -13.540
  242   1HG   LYS  34          2HG       LYS  34 -11.303   2.814 -14.568
  243   2HG   LYS  34          3HG       LYS  34 -11.601   4.466 -14.060
  244   1HD   LYS  34          2HD       LYS  34  -9.304   4.472 -15.816
  245   2HD   LYS  34          3HD       LYS  34 -10.570   3.536 -16.586
  246   1HE   LYS  34          2HE       LYS  34 -11.244   6.212 -15.327
  247   2HE   LYS  34          3HE       LYS  34 -10.496   6.165 -16.911
  248   1HZ   LYS  34          1HZ       LYS  34 -12.293   5.063 -17.790
  249   2HZ   LYS  34          2HZ       LYS  34 -12.834   4.510 -16.352
  250   3HZ   LYS  34          3HZ       LYS  34 -13.017   6.086 -16.741
  251    H    ALA  35           HN       ALA  35  -6.411   2.921 -12.835
  252    HA   ALA  35           HA       ALA  35  -5.320   3.590 -15.480
  253   1HB   ALA  35          1HB       ALA  35  -5.381   5.337 -13.592
  254   2HB   ALA  35          2HB       ALA  35  -4.151   4.338 -12.783
  255   3HB   ALA  35          3HB       ALA  35  -3.807   5.054 -14.374
  256    H    GLY  36           HN       GLY  36  -5.786   0.882 -14.057
  257   1HA   GLY  36          1HA       GLY  36  -4.644  -1.013 -13.591
  258   2HA   GLY  36          2HA       GLY  36  -3.714  -0.561 -15.006
  259    H    GLN  37           HN       GLN  37  -3.943   0.790 -11.633
  260    HA   GLN  37           HA       GLN  37  -1.212   0.013 -11.200
  261   1HB   GLN  37          2HB       GLN  37  -0.579   2.371 -10.499
  262   2HB   GLN  37          3HB       GLN  37  -0.796   2.148 -12.224
  263   1HG   GLN  37          2HG       GLN  37  -2.311   3.833 -12.203
  264   2HG   GLN  37          3HG       GLN  37  -3.376   2.814 -11.256
  265   1HE2  GLN  37          1HE2      GLN  37  -3.845   3.341  -9.240
  266   2HE2  GLN  37          2HE2      GLN  37  -3.102   4.596  -8.305
  267    H    ILE  38           HN       ILE  38  -1.129  -0.828  -9.163
  268    HA   ILE  38           HA       ILE  38  -3.270  -0.086  -7.333
  269    HB   ILE  38           HB       ILE  38  -2.609  -2.484  -7.996
  270   1HG1  ILE  38          2HG1      ILE  38  -2.742  -2.857  -5.224
  271   2HG1  ILE  38          3HG1      ILE  38  -3.534  -1.316  -5.494
  272   1HG2  ILE  38          1HG2      ILE  38  -0.303  -2.593  -7.743
  273   2HG2  ILE  38          2HG2      ILE  38  -0.325  -1.710  -6.198
  274   3HG2  ILE  38          3HG2      ILE  38  -0.907  -3.391  -6.271
  275   1HD1  ILE  38          1HD1      ILE  38  -5.014  -3.421  -5.666
  276   2HD1  ILE  38          2HD1      ILE  38  -5.125  -2.267  -7.015
  277   3HD1  ILE  38          3HD1      ILE  38  -4.171  -3.758  -7.196
  278    H    ALA  39           HN       ALA  39  -2.897   0.769  -5.254
  279    HA   ALA  39           HA       ALA  39  -0.473   2.306  -5.081
  280   1HB   ALA  39          1HB       ALA  39  -2.396   3.477  -4.415
  281   2HB   ALA  39          2HB       ALA  39  -3.053   2.086  -3.521
  282   3HB   ALA  39          3HB       ALA  39  -1.669   2.991  -2.865
  283    H    SER  40           HN       SER  40   1.346   1.142  -4.575
  284    HA   SER  40           HA       SER  40   1.348  -0.078  -1.993
  285   1HB   SER  40          2HB       SER  40   1.515  -1.676  -4.529
  286   2HB   SER  40          3HB       SER  40   2.610  -2.126  -3.237
  287    HG   SER  40           HG       SER  40   0.090  -1.709  -2.214
  288    H    SER  41           HN       SER  41   3.809  -1.174  -1.815
  289    HA   SER  41           HA       SER  41   5.477   1.068  -2.185
  290   1HB   SER  41          2HB       SER  41   6.908  -0.009  -0.739
  291   2HB   SER  41          3HB       SER  41   5.459  -0.927  -0.383
  292    HG   SER  41           HG       SER  41   6.312  -2.342  -2.299
  293    HA   PRO  42           HA       PRO  42   6.969  -0.108  -6.124
  294   1HB   PRO  42          2HB       PRO  42   8.889   1.813  -6.429
  295   2HB   PRO  42          3HB       PRO  42   7.193   2.089  -6.776
  296   1HG   PRO  42          2HG       PRO  42   8.783   3.009  -4.460
  297   2HG   PRO  42          3HG       PRO  42   7.243   3.608  -5.041
  298   1HD   PRO  42          2HD       PRO  42   7.678   1.909  -2.771
  299   2HD   PRO  42          3HD       PRO  42   6.131   2.414  -3.421
  300    H    ARG  43           HN       ARG  43   9.530   0.788  -3.853
  301    HA   ARG  43           HA       ARG  43  10.710  -1.778  -4.503
  302   1HB   ARG  43          2HB       ARG  43  12.311   0.821  -4.295
  303   2HB   ARG  43          3HB       ARG  43  12.962  -0.764  -4.658
  304   1HG   ARG  43          2HG       ARG  43  10.854  -0.334  -6.538
  305   2HG   ARG  43          3HG       ARG  43  11.747   1.172  -6.466
  306   1HD   ARG  43          2HD       ARG  43  13.101   0.112  -8.002
  307   2HD   ARG  43          3HD       ARG  43  13.854  -0.546  -6.563
  308    HE   ARG  43           HE       ARG  43  11.563  -2.109  -7.550
  309   1HH1  ARG  43          1HH1      ARG  43  13.617  -4.734  -8.583
  310   2HH1  ARG  43          2HH1      ARG  43  11.987  -4.230  -8.287
  311   1HH2  ARG  43          1HH2      ARG  43  15.371  -3.255  -8.230
  312   2HH2  ARG  43          2HH2      ARG  43  15.049  -1.648  -7.671
  313    H    THR  44           HN       THR  44   9.258  -0.047  -2.214
  314    HA   THR  44           HA       THR  44   9.363   0.175   0.002
  315    HB   THR  44           HB       THR  44  10.999  -2.404  -0.252
  316    HG1  THR  44           1HG      THR  44   8.949  -2.437  -1.399
  317   1HG2  THR  44          1HG2      THR  44   9.746  -2.961   1.887
  318   2HG2  THR  44          2HG2      THR  44  10.924  -1.642   2.090
  319   3HG2  THR  44          3HG2      THR  44   9.190  -1.271   1.944
  320    H    GLU  45           HN       GLU  45  11.718   1.177  -1.809
  321    HA   GLU  45           HA       GLU  45  14.048   1.081  -0.441
  322   1HB   GLU  45          2HB       GLU  45  14.620   3.197  -1.574
  323   2HB   GLU  45          3HB       GLU  45  13.776   2.118  -2.666
  324   1HG   GLU  45          2HG       GLU  45  11.720   3.353  -2.480
  325   2HG   GLU  45          3HG       GLU  45  12.271   4.218  -1.059
  326    H    ASP  46           HN       ASP  46  11.094   2.917   0.301
  327    HA   ASP  46           HA       ASP  46  12.506   4.318   2.401
  328   1HB   ASP  46          2HB       ASP  46  10.126   4.796   0.766
  329   2HB   ASP  46          3HB       ASP  46   9.732   4.952   2.466
  330    H    CYS  47           HN       CYS  47  10.334   4.631   4.245
  331    HA   CYS  47           HA       CYS  47   9.030   3.598   5.721
  332   1HB   CYS  47          2HB       CYS  47   8.249   2.036   3.944
  333   2HB   CYS  47          3HB       CYS  47   9.591   0.970   4.307
  334    H    VAL  48           HN       VAL  48  10.435   4.110   7.436
  335    HA   VAL  48           HA       VAL  48  12.589   2.178   7.936
  336    HB   VAL  48           HB       VAL  48  13.571   3.985   9.308
  337   1HG1  VAL  48          1HG1      VAL  48  13.034   4.975   6.497
  338   2HG1  VAL  48          2HG1      VAL  48  14.494   5.203   7.489
  339   3HG1  VAL  48          3HG1      VAL  48  14.095   3.591   6.849
  340   1HG2  VAL  48          1HG2      VAL  48  11.436   5.773   8.103
  341   2HG2  VAL  48          2HG2      VAL  48  11.412   5.167   9.776
  342   3HG2  VAL  48          3HG2      VAL  48  12.727   6.239   9.236
  343    H    GLY  49           HN       GLY  49   9.770   1.643   8.502
  344   1HA   GLY  49          1HA       GLY  49   8.500   0.836  10.170
  345   2HA   GLY  49          2HA       GLY  49   9.972   0.672  11.106
  346    H    CYS  50           HN       CYS  50   7.400   3.010  10.140
  347    HA   CYS  50           HA       CYS  50   8.100   4.591  12.498
  348   1HB   CYS  50          2HB       CYS  50   7.223   6.475  11.467
  349   2HB   CYS  50          3HB       CYS  50   7.957   5.627  10.121
  350    H    LYS  51           HN       LYS  51   5.633   2.621  10.844
  351    HA   LYS  51           HA       LYS  51   3.767   1.686  11.570
  352   1HB   LYS  51          2HB       LYS  51   4.651   2.645  14.308
  353   2HB   LYS  51          3HB       LYS  51   3.307   1.559  14.015
  354   1HG   LYS  51          2HG       LYS  51   4.733  -0.198  13.939
  355   2HG   LYS  51          3HG       LYS  51   5.538   0.509  12.552
  356   1HD   LYS  51          2HD       LYS  51   7.223   1.501  13.848
  357   2HD   LYS  51          3HD       LYS  51   6.210   1.621  15.272
  358   1HE   LYS  51          2HE       LYS  51   7.051  -1.095  14.191
  359   2HE   LYS  51          3HE       LYS  51   8.114  -0.181  15.243
  360   1HZ   LYS  51          1HZ       LYS  51   6.776  -1.592  16.556
  361   2HZ   LYS  51          2HZ       LYS  51   6.250  -0.071  16.826
  362   3HZ   LYS  51          3HZ       LYS  51   5.389  -1.074  15.868
  363    H    ARG  52           HN       ARG  52   3.147   3.676  10.126
  364    HA   ARG  52           HA       ARG  52   1.401   5.334  11.765
  365   1HB   ARG  52          2HB       ARG  52   3.131   5.995   9.375
  366   2HB   ARG  52          3HB       ARG  52   1.627   6.876   9.565
  367   1HG   ARG  52          2HG       ARG  52   3.178   6.663  12.084
  368   2HG   ARG  52          3HG       ARG  52   4.042   7.505  10.813
  369   1HD   ARG  52          2HD       ARG  52   2.839   9.353  11.379
  370   2HD   ARG  52          3HD       ARG  52   1.461   8.580  10.621
  371    HE   ARG  52           HE       ARG  52   1.943   7.763  13.412
  372   1HH1  ARG  52          1HH1      ARG  52  -0.945   9.380  14.519
  373   2HH1  ARG  52          2HH1      ARG  52   0.318   8.270  14.936
  374   1HH2  ARG  52          1HH2      ARG  52  -0.986  10.351  12.412
  375   2HH2  ARG  52          2HH2      ARG  52   0.246   9.967  11.256
  376    H    CYS  53           HN       CYS  53   1.933   3.715   8.572
  377    HA   CYS  53           HA       CYS  53  -0.357   4.200   7.285
  378   1HB   CYS  53          2HB       CYS  53  -0.147   1.648   6.581
  379   2HB   CYS  53          3HB       CYS  53   1.014   2.850   6.052
  380    H    GLU  54           HN       GLU  54   0.040   1.181   9.285
  381    HA   GLU  54           HA       GLU  54  -1.515  -0.097  10.183
  382   1HB   GLU  54          2HB       GLU  54  -1.648   2.578  11.527
  383   2HB   GLU  54          3HB       GLU  54  -2.899   1.428  11.956
  384   1HG   GLU  54          2HG       GLU  54  -1.446   0.333  13.304
  385   2HG   GLU  54          3HG       GLU  54  -0.425  -0.024  11.925
  386    H    THR  55           HN       THR  55  -2.364   1.077   7.602
  387    HA   THR  55           HA       THR  55  -5.221   0.659   7.950
  388    HB   THR  55           HB       THR  55  -4.880   3.132   8.175
  389    HG1  THR  55           1HG      THR  55  -6.236   3.542   6.165
  390   1HG2  THR  55          1HG2      THR  55  -4.128   3.300   5.269
  391   2HG2  THR  55          2HG2      THR  55  -3.749   4.421   6.600
  392   3HG2  THR  55          3HG2      THR  55  -2.811   2.920   6.404
  393    H    ALA  56           HN       ALA  56  -2.968  -0.925   6.909
  394    HA   ALA  56           HA       ALA  56  -2.948  -0.766   4.099
  395   1HB   ALA  56          1HB       ALA  56  -2.436  -3.435   5.071
  396   2HB   ALA  56          2HB       ALA  56  -1.282  -2.231   4.448
  397   3HB   ALA  56          3HB       ALA  56  -1.696  -2.255   6.178
  398    H    CYS  57           HN       CYS  57  -5.280  -0.449   3.665
  399    HA   CYS  57           HA       CYS  57  -7.259  -1.148   3.027
  400   1HB   CYS  57          2HB       CYS  57  -5.450  -3.179   2.173
  401   2HB   CYS  57          3HB       CYS  57  -6.909  -3.984   2.716
  402    HA   PRO  58           HA       PRO  58  -9.363  -3.012   6.367
  403   1HB   PRO  58          2HB       PRO  58 -11.403  -4.479   5.295
  404   2HB   PRO  58          3HB       PRO  58 -11.451  -2.734   5.441
  405   1HG   PRO  58          2HG       PRO  58 -11.014  -4.380   3.025
  406   2HG   PRO  58          3HG       PRO  58 -11.485  -2.696   3.135
  407   1HD   PRO  58          2HD       PRO  58  -8.883  -3.712   2.483
  408   2HD   PRO  58          3HD       PRO  58  -9.326  -2.031   2.707
  409    H    THR  59           HN       THR  59  -7.484  -4.875   4.484
  410    HA   THR  59           HA       THR  59  -6.368  -6.749   4.989
  411    HB   THR  59           HB       THR  59  -8.145  -7.182   7.425
  412    HG1  THR  59           1HG      THR  59  -7.469  -5.085   7.808
  413   1HG2  THR  59          1HG2      THR  59  -6.052  -7.985   8.425
  414   2HG2  THR  59          2HG2      THR  59  -6.272  -8.824   6.871
  415   3HG2  THR  59          3HG2      THR  59  -5.127  -7.468   6.995
  416    H    ASP  60           HN       ASP  60  -9.616  -6.415   4.236
  417    HA   ASP  60           HA       ASP  60 -10.688  -8.873   4.391
  418   1HB   ASP  60          2HB       ASP  60 -11.152  -6.474   2.931
  419   2HB   ASP  60          3HB       ASP  60 -11.150  -7.749   1.728
  420    H    PHE  61           HN       PHE  61  -7.945  -7.767   2.491
  421    HA   PHE  61           HA       PHE  61  -7.972 -10.285   0.981
  422   1HB   PHE  61          2HB       PHE  61  -6.745  -7.506   0.489
  423   2HB   PHE  61          3HB       PHE  61  -6.387  -8.886  -0.531
  424    HD1  PHE  61           1HD      PHE  61  -8.354 -10.014  -1.730
  425    HD2  PHE  61           2HD      PHE  61  -8.627  -6.181   0.071
  426    HE1  PHE  61           1HE      PHE  61 -10.368  -9.497  -3.136
  427    HE2  PHE  61           2HE      PHE  61 -10.642  -5.664  -1.335
  428    HZ   PHE  61           HZ       PHE  61 -11.488  -7.329  -2.922
  429    H    LEU  62           HN       LEU  62  -5.493  -7.803   1.940
  430    HA   LEU  62           HA       LEU  62  -3.557  -9.859   2.336
  431   1HB   LEU  62          2HB       LEU  62  -2.030  -8.170   2.527
  432   2HB   LEU  62          3HB       LEU  62  -3.245  -7.454   1.486
  433    HG   LEU  62           HG       LEU  62  -4.185  -6.553   3.821
  434   1HD1  LEU  62          1HD1      LEU  62  -1.206  -6.684   4.349
  435   2HD1  LEU  62          2HD1      LEU  62  -2.476  -6.017   5.404
  436   3HD1  LEU  62          3HD1      LEU  62  -2.405  -7.769   5.095
  437   1HD2  LEU  62          1HD2      LEU  62  -2.114  -5.458   1.954
  438   2HD2  LEU  62          2HD2      LEU  62  -3.799  -4.949   2.224
  439   3HD2  LEU  62          3HD2      LEU  62  -2.543  -4.541   3.418
  440    H    SER  63           HN       SER  63  -3.706 -11.229   4.035
  441    HA   SER  63           HA       SER  63  -5.143 -10.612   6.324
  442   1HB   SER  63          2HB       SER  63  -3.847 -12.660   7.258
  443   2HB   SER  63          3HB       SER  63  -4.877 -12.911   5.862
  444    HG   SER  63           HG       SER  63  -3.124 -13.116   4.529
  445    H    ILE  64           HN       ILE  64  -1.866 -11.811   6.927
  446    HA   ILE  64           HA       ILE  64  -0.811  -9.277   7.711
  447    HB   ILE  64           HB       ILE  64  -0.544  -9.969  10.118
  448   1HG1  ILE  64          2HG1      ILE  64  -2.919 -11.489  10.404
  449   2HG1  ILE  64          3HG1      ILE  64  -1.971 -12.283   9.162
  450   1HG2  ILE  64          1HG2      ILE  64  -2.479  -8.844  10.772
  451   2HG2  ILE  64          2HG2      ILE  64  -2.191  -8.261   9.114
  452   3HG2  ILE  64          3HG2      ILE  64  -3.435  -9.497   9.419
  453   1HD1  ILE  64          1HD1      ILE  64  -1.327 -13.156  11.362
  454   2HD1  ILE  64          2HD1      ILE  64   0.031 -12.227  10.682
  455   3HD1  ILE  64          3HD1      ILE  64  -0.993 -11.509  11.949
  456    H    ARG  65           HN       ARG  65   1.023  -9.672   6.518
  457    HA   ARG  65           HA       ARG  65   2.253 -12.247   6.784
  458   1HB   ARG  65          2HB       ARG  65   2.249 -10.099   4.834
  459   2HB   ARG  65          3HB       ARG  65   3.910 -10.409   5.301
  460   1HG   ARG  65          2HG       ARG  65   3.258 -11.838   3.386
  461   2HG   ARG  65          3HG       ARG  65   3.642 -12.818   4.788
  462   1HD   ARG  65          2HD       ARG  65   0.802 -12.077   4.784
  463   2HD   ARG  65          3HD       ARG  65   1.239 -12.873   3.286
  464    HE   ARG  65           HE       ARG  65   1.197 -14.078   5.959
  465   1HH1  ARG  65          1HH1      ARG  65   2.300 -17.171   4.777
  466   2HH1  ARG  65          2HH1      ARG  65   1.609 -16.320   6.118
  467   1HH2  ARG  65          1HH2      ARG  65   2.806 -16.034   2.818
  468   2HH2  ARG  65          2HH2      ARG  65   2.494 -14.335   2.697
  469    H    VAL  66           HN       VAL  66   2.082 -10.078   9.008
  470    HA   VAL  66           HA       VAL  66   3.406  -9.012  10.460
  471    HB   VAL  66           HB       VAL  66   3.541 -11.175  11.344
  472   1HG1  VAL  66          1HG1      VAL  66   5.136 -12.899  10.538
  473   2HG1  VAL  66          2HG1      VAL  66   3.934 -12.440   9.308
  474   3HG1  VAL  66          3HG1      VAL  66   5.598 -11.815   9.203
  475   1HG2  VAL  66          1HG2      VAL  66   5.810  -9.437  11.457
  476   2HG2  VAL  66          2HG2      VAL  66   5.198 -10.556  12.699
  477   3HG2  VAL  66          3HG2      VAL  66   6.390 -11.120  11.502
  478    H    TYR  67           HN       TYR  67   4.130  -7.195   9.273
  479    HA   TYR  67           HA       TYR  67   6.914  -7.455   8.378
  480   1HB   TYR  67          2HB       TYR  67   4.556  -7.041   6.822
  481   2HB   TYR  67          3HB       TYR  67   5.202  -5.425   7.030
  482    HD1  TYR  67           HD1      TYR  67   6.973  -4.661   5.678
  483    HD2  TYR  67           HD2      TYR  67   6.143  -8.854   5.880
  484    HE1  TYR  67           HE1      TYR  67   8.623  -5.086   3.790
  485    HE2  TYR  67           HE2      TYR  67   7.795  -9.264   3.992
  486    HH   TYR  67           HH       TYR  67   8.736  -7.172   1.936
  487    H    LEU  68           HN       LEU  68   4.233  -5.130   9.169
  488    HA   LEU  68           HA       LEU  68   5.625  -2.878   9.578
  489   1HB   LEU  68          2HB       LEU  68   3.151  -4.037  10.556
  490   2HB   LEU  68          3HB       LEU  68   3.868  -2.964  11.742
  491    HG   LEU  68           HG       LEU  68   2.265  -1.788  10.337
  492   1HD1  LEU  68          1HD1      LEU  68   3.775   0.054   9.508
  493   2HD1  LEU  68          2HD1      LEU  68   3.998  -0.421  11.208
  494   3HD1  LEU  68          3HD1      LEU  68   5.154  -0.972   9.972
  495   1HD2  LEU  68          1HD2      LEU  68   3.312  -3.345   8.260
  496   2HD2  LEU  68          2HD2      LEU  68   2.061  -2.085   8.146
  497   3HD2  LEU  68          3HD2      LEU  68   3.769  -1.671   7.868
  498    H    GLY  69           HN       GLY  69   7.652  -2.743  10.424
  499   1HA   GLY  69          1HA       GLY  69   9.397  -3.169  11.818
  500   2HA   GLY  69          2HA       GLY  69   8.256  -2.594  13.018
  501    H    ALA  70           HN       ALA  70   9.355  -5.570  11.282
  502    HA   ALA  70           HA       ALA  70   9.243  -7.028  13.753
  503   1HB   ALA  70          1HB       ALA  70   6.880  -6.998  12.498
  504   2HB   ALA  70          2HB       ALA  70   7.659  -8.276  11.535
  505   3HB   ALA  70          3HB       ALA  70   7.497  -8.464  13.298
  506    H    GLU  71           HN       GLU  71   9.591  -7.035  10.159
  507    HA   GLU  71           HA       GLU  71  11.616  -9.090  10.472
  508   1HB   GLU  71          2HB       GLU  71   9.737  -8.291   8.324
  509   2HB   GLU  71          3HB       GLU  71  11.352  -8.647   7.744
  510   1HG   GLU  71          2HG       GLU  71   9.905 -10.681   7.778
  511   2HG   GLU  71          3HG       GLU  71  11.309 -10.862   8.811
  512    H    THR  72           HN       THR  72  11.054  -5.863   8.906
  513    HA   THR  72           HA       THR  72  13.896  -5.573   8.422
  514    HB   THR  72           HB       THR  72  13.036  -3.360   7.440
  515    HG1  THR  72           1HG      THR  72  11.017  -2.939   8.252
  516   1HG2  THR  72          1HG2      THR  72  11.644  -4.429   5.619
  517   2HG2  THR  72          2HG2      THR  72  13.165  -5.306   5.916
  518   3HG2  THR  72          3HG2      THR  72  11.632  -5.939   6.563
  519    H    THR  73           HN       THR  73  12.396  -5.648  11.220
  520    HA   THR  73           HA       THR  73  13.439  -3.095  12.213
  521    HB   THR  73           HB       THR  73  11.024  -3.969  12.641
  522    HG1  THR  73           1HG      THR  73  12.411  -2.359  13.900
  523   1HG2  THR  73          1HG2      THR  73  11.120  -6.186  13.398
  524   2HG2  THR  73          2HG2      THR  73  12.716  -5.962  14.154
  525   3HG2  THR  73          3HG2      THR  73  11.255  -5.337  14.956
  526    H    ARG  74           HN       ARG  74  13.990  -6.586  12.220
  527    HA   ARG  74           HA       ARG  74  16.144  -6.088  14.113
  528   1HB   ARG  74          2HB       ARG  74  14.127  -8.187  13.952
  529   2HB   ARG  74          3HB       ARG  74  15.718  -8.909  13.814
  530   1HG   ARG  74          2HG       ARG  74  15.810  -8.789  16.086
  531   2HG   ARG  74          3HG       ARG  74  16.101  -7.075  15.872
  532   1HD   ARG  74          2HD       ARG  74  13.492  -6.838  15.792
  533   2HD   ARG  74          3HD       ARG  74  13.454  -8.463  16.445
  534    HE   ARG  74           HE       ARG  74  14.291  -6.030  17.855
  535   1HH1  ARG  74          1HH1      ARG  74  15.017  -7.772  20.791
  536   2HH1  ARG  74          2HH1      ARG  74  14.776  -6.211  20.081
  537   1HH2  ARG  74          1HH2      ARG  74  14.845  -9.681  19.481
  538   2HH2  ARG  74          2HH2      ARG  74  14.477  -9.544  17.795
  539    H    SER  75           HN       SER  75  15.148  -7.369  10.950
  540    HA   SER  75           HA       SER  75  17.893  -8.188  10.452
  541   1HB   SER  75          2HB       SER  75  15.395  -9.357   9.802
  542   2HB   SER  75          3HB       SER  75  16.011  -8.742   8.282
  543    HG   SER  75           HG       SER  75  17.494 -10.439  10.106
  544    H    MET  76           HN       MET  76  15.848  -5.530  10.141
  545    HA   MET  76           HA       MET  76  15.935  -3.670   9.019
  546   1HB   MET  76          2HB       MET  76  18.331  -3.579   9.441
  547   2HB   MET  76          3HB       MET  76  18.664  -4.811   8.241
  548   1HG   MET  76          2HG       MET  76  18.229  -3.325   6.413
  549   2HG   MET  76          3HG       MET  76  17.370  -2.182   7.428
  550   1HE   MET  76          1HE       MET  76  18.888   0.082   8.511
  551   2HE   MET  76          2HE       MET  76  19.945   0.302   7.097
  552   3HE   MET  76          3HE       MET  76  18.282  -0.293   6.880
  553    H    GLY  77           HN       GLY  77  17.590  -6.000   6.757
  554   1HA   GLY  77          1HA       GLY  77  15.477  -6.476   5.060
  555   2HA   GLY  77          2HA       GLY  77  16.198  -4.987   4.482
  556    H    LEU  78           HN       LEU  78  18.948  -5.736   5.484
  557    HA   LEU  78           HA       LEU  78  19.568  -7.571   3.291
  558   1HB   LEU  78          2HB       LEU  78  20.775  -5.690   2.877
  559   2HB   LEU  78          3HB       LEU  78  20.936  -5.268   4.572
  560    HG   LEU  78           HG       LEU  78  23.017  -6.027   3.194
  561   1HD1  LEU  78          1HD1      LEU  78  23.726  -7.373   5.413
  562   2HD1  LEU  78          2HD1      LEU  78  23.597  -5.598   5.336
  563   3HD1  LEU  78          3HD1      LEU  78  22.260  -6.560   6.012
  564   1HD2  LEU  78          1HD2      LEU  78  21.490  -8.328   2.896
  565   2HD2  LEU  78          2HD2      LEU  78  23.229  -8.149   2.557
  566   3HD2  LEU  78          3HD2      LEU  78  22.689  -8.762   4.138
  567    H    ALA  79           HN       ALA  79  20.160  -6.921   6.792
  568    HA   ALA  79           HA       ALA  79  21.898  -8.849   7.449
  569   1HB   ALA  79          1HB       ALA  79  20.570  -7.160   8.896
  570   2HB   ALA  79          2HB       ALA  79  19.350  -8.449   9.039
  571   3HB   ALA  79          3HB       ALA  79  21.006  -8.720   9.633
  572    H    TYR  80           HN       TYR  80  18.553  -9.280   6.323
  573    HA   TYR  80           HA       TYR  80  18.269 -11.960   7.145
  574   1HB   TYR  80          2HB       TYR  80  16.221 -11.641   6.010
  575   2HB   TYR  80          3HB       TYR  80  16.705  -9.960   6.106
  576    HD1  TYR  80           HD1      TYR  80  15.312 -12.213   3.963
  577    HD2  TYR  80           HD2      TYR  80  18.555  -9.424   4.061
  578    HE1  TYR  80           HE1      TYR  80  15.252 -12.044   1.426
  579    HE2  TYR  80           HE2      TYR  80  18.484  -9.264   1.524
  580    HH   TYR  80           HH       TYR  80  17.623 -11.026  -0.366
  Start of MODEL   26
    1    H    SER   1           HN       SER   1  -4.200  -4.700   8.080
    2    HA   SER   1           HA       SER   1  -5.388  -4.265  10.649
    3   1HB   SER   1          2HB       SER   1  -4.467  -7.063   9.861
    4   2HB   SER   1          3HB       SER   1  -5.078  -6.581  11.431
    5    HG   SER   1           HG       SER   1  -6.976  -7.181  10.634
    6    H    HIS   2           HN       HIS   2  -2.684  -5.829   8.793
    7    HA   HIS   2           HA       HIS   2  -0.793  -4.120  10.035
    8   1HB   HIS   2          2HB       HIS   2   0.543  -5.913  11.111
    9   2HB   HIS   2          3HB       HIS   2  -0.985  -5.588  11.907
   10    HD1  HIS   2           HD1      HIS   2  -1.440  -7.866  12.924
   11    HD2  HIS   2           HD2      HIS   2  -0.606  -8.055   8.817
   12    HE1  HIS   2           HE1      HIS   2  -1.914 -10.268  12.209
   13    H    SER   3           HN       SER   3   1.556  -4.983   9.339
   14    HA   SER   3           HA       SER   3   2.910  -5.391   7.693
   15   1HB   SER   3          2HB       SER   3   2.702  -7.412   6.456
   16   2HB   SER   3          3HB       SER   3   1.867  -7.726   7.965
   17    HG   SER   3           HG       SER   3  -0.151  -7.416   6.930
   18    H    VAL   4           HN       VAL   4   3.379  -4.774   5.459
   19    HA   VAL   4           HA       VAL   4   1.090  -3.773   3.950
   20    HB   VAL   4           HB       VAL   4   2.357  -1.676   3.503
   21   1HG1  VAL   4          1HG1      VAL   4   1.107  -2.432   6.086
   22   2HG1  VAL   4          2HG1      VAL   4   2.034  -0.911   6.086
   23   3HG1  VAL   4          3HG1      VAL   4   0.689  -1.134   4.940
   24   1HG2  VAL   4          1HG2      VAL   4   4.284  -1.065   4.620
   25   2HG2  VAL   4          2HG2      VAL   4   3.982  -2.175   5.978
   26   3HG2  VAL   4          3HG2      VAL   4   4.551  -2.813   4.416
   27    H    LYS   5           HN       LYS   5   2.432  -6.190   3.515
   28    HA   LYS   5           HA       LYS   5   4.682  -6.101   1.948
   29   1HB   LYS   5          2HB       LYS   5   2.514  -7.984   2.512
   30   2HB   LYS   5          3HB       LYS   5   3.152  -8.169   0.891
   31   1HG   LYS   5          2HG       LYS   5   5.090  -7.865   3.195
   32   2HG   LYS   5          3HG       LYS   5   4.300  -9.411   2.953
   33   1HD   LYS   5          2HD       LYS   5   6.178  -9.718   1.614
   34   2HD   LYS   5          3HD       LYS   5   5.068  -9.073   0.421
   35   1HE   LYS   5          2HE       LYS   5   6.269  -7.142   0.169
   36   2HE   LYS   5          3HE       LYS   5   6.483  -6.940   1.897
   37   1HZ   LYS   5          1HZ       LYS   5   8.542  -7.390   0.675
   38   2HZ   LYS   5          2HZ       LYS   5   8.262  -8.485   1.854
   39   3HZ   LYS   5          3HZ       LYS   5   7.995  -8.880   0.292
   40    H    ILE   6           HN       ILE   6   4.380  -6.995  -0.564
   41    HA   ILE   6           HA       ILE   6   3.084  -4.717  -1.846
   42    HB   ILE   6           HB       ILE   6   5.026  -6.716  -3.004
   43   1HG1  ILE   6          2HG1      ILE   6   6.171  -5.663  -1.196
   44   2HG1  ILE   6          3HG1      ILE   6   6.729  -4.917  -2.681
   45   1HG2  ILE   6          1HG2      ILE   6   5.071  -4.114  -4.215
   46   2HG2  ILE   6          2HG2      ILE   6   4.703  -5.695  -4.945
   47   3HG2  ILE   6          3HG2      ILE   6   3.402  -4.734  -4.202
   48   1HD1  ILE   6          1HD1      ILE   6   4.879  -3.780  -0.570
   49   2HD1  ILE   6          2HD1      ILE   6   6.332  -3.053  -1.298
   50   3HD1  ILE   6          3HD1      ILE   6   4.822  -3.153  -2.235
   51    H    TYR   7           HN       TYR   7   0.917  -5.658  -1.387
   52    HA   TYR   7           HA       TYR   7   0.323  -7.861  -3.246
   53   1HB   TYR   7          2HB       TYR   7  -0.817  -6.830  -0.587
   54   2HB   TYR   7          3HB       TYR   7  -1.762  -7.907  -1.596
   55    HD1  TYR   7           HD1      TYR   7   0.359  -7.811   1.149
   56    HD2  TYR   7           HD2      TYR   7  -0.326 -10.083  -2.411
   57    HE1  TYR   7           HE1      TYR   7   1.511  -9.820   2.200
   58    HE2  TYR   7           HE2      TYR   7   0.829 -12.084  -1.348
   59    HH   TYR   7           HH       TYR   7   1.570 -12.932   0.547
   60    H    ASP   8           HN       ASP   8  -1.916  -7.779  -4.211
   61    HA   ASP   8           HA       ASP   8  -2.326  -5.120  -5.178
   62   1HB   ASP   8          2HB       ASP   8  -3.736  -6.137  -6.832
   63   2HB   ASP   8          3HB       ASP   8  -2.388  -7.235  -6.610
   64    H    THR   9           HN       THR   9  -2.909  -5.274  -2.413
   65    HA   THR   9           HA       THR   9  -5.783  -5.680  -2.167
   66    HB   THR   9           HB       THR   9  -4.404  -6.629  -0.403
   67    HG1  THR   9           1HG      THR   9  -5.126  -5.031   1.352
   68   1HG2  THR   9          1HG2      THR   9  -3.287  -4.382   0.912
   69   2HG2  THR   9          2HG2      THR   9  -2.384  -5.664   0.070
   70   3HG2  THR   9          3HG2      THR   9  -2.834  -4.176  -0.797
   71    H    CYS  10           HN       CYS  10  -6.731  -4.029  -3.362
   72    HA   CYS  10           HA       CYS  10  -6.744  -1.521  -1.986
   73   1HB   CYS  10          2HB       CYS  10  -4.765  -1.418  -3.630
   74   2HB   CYS  10          3HB       CYS  10  -5.964  -1.418  -4.907
   75    H    ILE  11           HN       ILE  11  -8.767  -0.505  -2.315
   76    HA   ILE  11           HA       ILE  11 -10.544  -1.925  -4.173
   77    HB   ILE  11           HB       ILE  11 -12.362  -1.362  -2.695
   78   1HG1  ILE  11          2HG1      ILE  11 -11.420  -0.489  -0.311
   79   2HG1  ILE  11          3HG1      ILE  11 -10.313   0.344  -1.385
   80   1HG2  ILE  11          1HG2      ILE  11 -10.138  -3.067  -1.984
   81   2HG2  ILE  11          2HG2      ILE  11 -10.974  -2.476  -0.529
   82   3HG2  ILE  11          3HG2      ILE  11 -11.887  -3.334  -1.793
   83   1HD1  ILE  11          1HD1      ILE  11 -11.918   1.813  -2.018
   84   2HD1  ILE  11          2HD1      ILE  11 -13.040   0.494  -2.428
   85   3HD1  ILE  11          3HD1      ILE  11 -12.960   1.108  -0.759
   86    H    GLY  12           HN       GLY  12  -8.938   1.045  -3.377
   87   1HA   GLY  12          1HA       GLY  12  -8.933   2.618  -5.264
   88   2HA   GLY  12          2HA       GLY  12 -10.681   2.481  -5.291
   89    H    CYS  13           HN       CYS  13  -8.743   2.519  -2.275
   90    HA   CYS  13           HA       CYS  13  -9.992   5.098  -1.674
   91   1HB   CYS  13          2HB       CYS  13 -10.619   4.278   0.304
   92   2HB   CYS  13          3HB       CYS  13 -10.107   2.694  -0.243
   93    H    THR  14           HN       THR  14  -8.520   6.281   0.136
   94    HA   THR  14           HA       THR  14  -5.693   5.930  -0.572
   95    HB   THR  14           HB       THR  14  -6.650   7.742  -1.994
   96    HG1  THR  14           1HG      THR  14  -4.491   7.856  -0.844
   97   1HG2  THR  14          1HG2      THR  14  -7.926   8.490   0.566
   98   2HG2  THR  14          2HG2      THR  14  -7.027   9.842  -0.165
   99   3HG2  THR  14          3HG2      THR  14  -8.318   9.030  -1.084
  100    H    GLN  15           HN       GLN  15  -5.902   4.697   1.523
  101    HA   GLN  15           HA       GLN  15  -5.827   6.617   3.720
  102   1HB   GLN  15          2HB       GLN  15  -6.561   4.836   5.207
  103   2HB   GLN  15          3HB       GLN  15  -7.671   4.924   3.853
  104   1HG   GLN  15          2HG       GLN  15  -6.322   3.067   2.729
  105   2HG   GLN  15          3HG       GLN  15  -5.400   2.915   4.212
  106   1HE2  GLN  15          1HE2      GLN  15  -6.171   0.744   4.266
  107   2HE2  GLN  15          2HE2      GLN  15  -7.734   0.361   4.908
  108    H    CYS  16           HN       CYS  16  -4.427   3.523   2.443
  109    HA   CYS  16           HA       CYS  16  -2.187   3.769   4.225
  110   1HB   CYS  16          2HB       CYS  16  -1.537   1.635   3.495
  111   2HB   CYS  16          3HB       CYS  16  -3.288   1.571   3.515
  112    H    VAL  17           HN       VAL  17  -3.017   5.706   1.859
  113    HA   VAL  17           HA       VAL  17  -0.337   5.748   0.657
  114    HB   VAL  17           HB       VAL  17  -2.932   6.507  -0.694
  115   1HG1  VAL  17          1HG1      VAL  17  -0.868   5.954  -2.552
  116   2HG1  VAL  17          2HG1      VAL  17  -1.622   7.525  -2.184
  117   3HG1  VAL  17          3HG1      VAL  17  -0.162   7.010  -1.305
  118   1HG2  VAL  17          1HG2      VAL  17  -1.346   4.133  -1.573
  119   2HG2  VAL  17          2HG2      VAL  17  -2.354   3.964  -0.117
  120   3HG2  VAL  17          3HG2      VAL  17  -3.097   4.440  -1.662
  121    H    ARG  18           HN       ARG  18  -2.095   7.092   2.989
  122    HA   ARG  18           HA       ARG  18  -1.378   9.795   2.180
  123   1HB   ARG  18          2HB       ARG  18  -3.839   8.731   3.235
  124   2HB   ARG  18          3HB       ARG  18  -3.159   9.767   4.474
  125   1HG   ARG  18          2HG       ARG  18  -4.594  11.102   2.996
  126   2HG   ARG  18          3HG       ARG  18  -2.930  11.618   2.809
  127   1HD   ARG  18          2HD       ARG  18  -3.158   9.579   0.901
  128   2HD   ARG  18          3HD       ARG  18  -4.733  10.344   0.836
  129    HE   ARG  18           HE       ARG  18  -3.089  12.525   0.803
  130   1HH1  ARG  18          1HH1      ARG  18  -1.750  12.510  -2.420
  131   2HH1  ARG  18          2HH1      ARG  18  -2.106  13.478  -1.027
  132   1HH2  ARG  18          1HH2      ARG  18  -2.270  10.249  -2.426
  133   2HH2  ARG  18          2HH2      ARG  18  -3.015   9.528  -1.040
  134    H    ALA  19           HN       ALA  19  -1.649   7.480   4.962
  135    HA   ALA  19           HA       ALA  19  -0.087   9.137   6.683
  136   1HB   ALA  19          1HB       ALA  19  -1.825   7.627   7.535
  137   2HB   ALA  19          2HB       ALA  19  -0.959   6.224   6.864
  138   3HB   ALA  19          3HB       ALA  19  -0.235   7.166   8.189
  139    H    CYS  20           HN       CYS  20   1.644   9.404   4.906
  140    HA   CYS  20           HA       CYS  20   3.775   7.620   5.588
  141   1HB   CYS  20          2HB       CYS  20   2.553   6.478   3.659
  142   2HB   CYS  20          3HB       CYS  20   3.066   7.816   2.650
  143    HA   PRO  21           HA       PRO  21   5.115  11.828   4.977
  144   1HB   PRO  21          2HB       PRO  21   7.120  11.793   6.833
  145   2HB   PRO  21          3HB       PRO  21   5.468  12.236   7.215
  146   1HG   PRO  21          2HG       PRO  21   6.903   9.727   7.833
  147   2HG   PRO  21          3HG       PRO  21   5.435  10.358   8.554
  148   1HD   PRO  21          2HD       PRO  21   5.630   8.246   6.622
  149   2HD   PRO  21          3HD       PRO  21   4.158   8.955   7.255
  150    H    LEU  22           HN       LEU  22   7.296   9.087   5.295
  151    HA   LEU  22           HA       LEU  22   9.359  10.310   3.828
  152   1HB   LEU  22          2HB       LEU  22   8.840   7.357   4.156
  153   2HB   LEU  22          3HB       LEU  22  10.368   8.141   3.806
  154    HG   LEU  22           HG       LEU  22   8.936   8.829   6.352
  155   1HD1  LEU  22          1HD1      LEU  22  10.552   6.873   7.244
  156   2HD1  LEU  22          2HD1      LEU  22   8.835   6.626   6.845
  157   3HD1  LEU  22          3HD1      LEU  22  10.093   6.185   5.667
  158   1HD2  LEU  22          1HD2      LEU  22  11.025   9.467   7.135
  159   2HD2  LEU  22          2HD2      LEU  22  11.894   8.448   5.963
  160   3HD2  LEU  22          3HD2      LEU  22  11.085   9.937   5.419
  161    H    ASP  23           HN       ASP  23   6.252   9.237   2.908
  162    HA   ASP  23           HA       ASP  23   5.267   8.966   0.997
  163   1HB   ASP  23          2HB       ASP  23   7.708  10.530   0.183
  164   2HB   ASP  23          3HB       ASP  23   6.760   9.813  -1.105
  165    H    VAL  24           HN       VAL  24   5.473   6.593   1.174
  166    HA   VAL  24           HA       VAL  24   7.532   5.494  -0.615
  167    HB   VAL  24           HB       VAL  24   6.422   4.543   2.009
  168   1HG1  VAL  24          1HG1      VAL  24   7.836   2.805  -0.044
  169   2HG1  VAL  24          2HG1      VAL  24   7.409   2.331   1.618
  170   3HG1  VAL  24          3HG1      VAL  24   6.126   2.677   0.434
  171   1HG2  VAL  24          1HG2      VAL  24   8.644   5.915   1.558
  172   2HG2  VAL  24          2HG2      VAL  24   8.594   4.604   2.762
  173   3HG2  VAL  24          3HG2      VAL  24   9.283   4.305   1.147
  174    H    LEU  25           HN       LEU  25   4.462   4.314   0.925
  175    HA   LEU  25           HA       LEU  25   3.662   2.680  -1.067
  176   1HB   LEU  25          2HB       LEU  25   1.877   4.451   0.606
  177   2HB   LEU  25          3HB       LEU  25   1.392   2.991  -0.230
  178    HG   LEU  25           HG       LEU  25   3.546   2.198   1.382
  179   1HD1  LEU  25          1HD1      LEU  25   2.388   2.954   3.652
  180   2HD1  LEU  25          2HD1      LEU  25   3.667   3.916   2.872
  181   3HD1  LEU  25          3HD1      LEU  25   1.959   4.372   2.665
  182   1HD2  LEU  25          1HD2      LEU  25   1.651   0.807   0.876
  183   2HD2  LEU  25          2HD2      LEU  25   1.788   0.974   2.642
  184   3HD2  LEU  25          3HD2      LEU  25   0.555   1.901   1.753
  185    H    GLU  26           HN       GLU  26   3.992   3.245  -3.198
  186    HA   GLU  26           HA       GLU  26   2.524   5.620  -4.048
  187   1HB   GLU  26          2HB       GLU  26   5.052   4.416  -5.259
  188   2HB   GLU  26          3HB       GLU  26   4.172   5.774  -5.934
  189   1HG   GLU  26          2HG       GLU  26   4.657   6.299  -3.125
  190   2HG   GLU  26          3HG       GLU  26   6.167   5.811  -3.867
  191    H    MET  27           HN       MET  27   2.574   5.195  -6.830
  192    HA   MET  27           HA       MET  27   0.655   3.084  -6.987
  193   1HB   MET  27          2HB       MET  27   0.404   3.957  -9.351
  194   2HB   MET  27          3HB       MET  27   0.251   5.227  -8.153
  195   1HG   MET  27          2HG       MET  27   2.041   6.341  -9.009
  196   2HG   MET  27          3HG       MET  27   3.058   4.919  -8.877
  197   1HE   MET  27          1HE       MET  27   4.391   4.895 -10.714
  198   2HE   MET  27          2HE       MET  27   3.956   4.988 -12.438
  199   3HE   MET  27          3HE       MET  27   3.929   6.457 -11.434
  200    H    VAL  28           HN       VAL  28   0.938   1.057  -7.879
  201    HA   VAL  28           HA       VAL  28   3.532   0.582  -9.178
  202    HB   VAL  28           HB       VAL  28   3.827  -1.354  -8.013
  203   1HG1  VAL  28          1HG1      VAL  28   2.227   0.429  -6.154
  204   2HG1  VAL  28          2HG1      VAL  28   3.157  -0.988  -5.609
  205   3HG1  VAL  28          3HG1      VAL  28   3.992   0.384  -6.375
  206   1HG2  VAL  28          1HG2      VAL  28   2.092  -2.723  -7.003
  207   2HG2  VAL  28          2HG2      VAL  28   0.864  -1.484  -7.361
  208   3HG2  VAL  28          3HG2      VAL  28   1.661  -2.358  -8.691
  209    HA   PRO  29           HA       PRO  29   1.332  -1.246 -12.423
  210   1HB   PRO  29          2HB       PRO  29   2.700  -3.522 -13.066
  211   2HB   PRO  29          3HB       PRO  29   3.232  -1.919 -13.535
  212   1HG   PRO  29          2HG       PRO  29   4.303  -3.682 -11.417
  213   2HG   PRO  29          3HG       PRO  29   5.059  -2.296 -12.178
  214   1HD   PRO  29          2HD       PRO  29   3.862  -2.382  -9.573
  215   2HD   PRO  29          3HD       PRO  29   4.513  -0.970 -10.382
  216    H    TRP  30           HN       TRP  30  -0.746  -1.772 -12.154
  217    HA   TRP  30           HA       TRP  30  -1.149  -4.489 -11.125
  218   1HB   TRP  30          2HB       TRP  30  -1.558  -2.975  -9.277
  219   2HB   TRP  30          3HB       TRP  30  -2.639  -2.005 -10.258
  220    HD1  TRP  30           HD1      TRP  30  -5.126  -2.540  -9.705
  221    HE1  TRP  30           HE1      TRP  30  -6.593  -4.590  -8.926
  222    HE3  TRP  30           HE3      TRP  30  -1.303  -5.889  -9.544
  223    HZ2  TRP  30           HZ2      TRP  30  -6.004  -7.321  -8.343
  224    HZ3  TRP  30           HZ3      TRP  30  -1.835  -8.226  -8.860
  225    HH2  TRP  30           HH2      TRP  30  -4.089  -8.961  -8.272
  226    H    ASP  31           HN       ASP  31  -3.639  -5.049 -11.619
  227    HA   ASP  31           HA       ASP  31  -4.375  -3.808 -14.134
  228   1HB   ASP  31          2HB       ASP  31  -3.059  -6.131 -14.261
  229   2HB   ASP  31          3HB       ASP  31  -4.612  -6.807 -13.809
  230    H    GLY  32           HN       GLY  32  -5.761  -2.975 -12.063
  231   1HA   GLY  32          1HA       GLY  32  -8.289  -4.410 -12.179
  232   2HA   GLY  32          2HA       GLY  32  -7.531  -4.322 -10.602
  233    H    CYS  33           HN       CYS  33  -6.234  -1.682 -11.066
  234    HA   CYS  33           HA       CYS  33  -8.436  -0.088 -10.272
  235   1HB   CYS  33          2HB       CYS  33  -5.626   0.033 -10.031
  236   2HB   CYS  33          3HB       CYS  33  -6.076   1.457 -10.948
  237    HG   CYS  33           HG       CYS  33  -6.028   1.184  -7.987
  238    H    LYS  34           HN       LYS  34  -8.738   2.175 -11.411
  239    HA   LYS  34           HA       LYS  34  -9.588   1.678 -14.034
  240   1HB   LYS  34          2HB       LYS  34 -10.092   3.564 -12.092
  241   2HB   LYS  34          3HB       LYS  34  -9.197   4.496 -13.274
  242   1HG   LYS  34          2HG       LYS  34 -11.223   4.698 -14.321
  243   2HG   LYS  34          3HG       LYS  34 -10.871   3.097 -14.942
  244   1HD   LYS  34          2HD       LYS  34 -12.223   3.392 -12.244
  245   2HD   LYS  34          3HD       LYS  34 -13.170   3.554 -13.711
  246   1HE   LYS  34          2HE       LYS  34 -11.842   1.268 -14.339
  247   2HE   LYS  34          3HE       LYS  34 -11.796   1.125 -12.593
  248   1HZ   LYS  34          1HZ       LYS  34 -14.192   1.437 -12.583
  249   2HZ   LYS  34          2HZ       LYS  34 -14.217   1.515 -14.213
  250   3HZ   LYS  34          3HZ       LYS  34 -13.769   0.132 -13.469
  251    H    ALA  35           HN       ALA  35  -6.516   2.683 -12.647
  252    HA   ALA  35           HA       ALA  35  -5.551   3.242 -15.369
  253   1HB   ALA  35          1HB       ALA  35  -3.649   4.265 -13.669
  254   2HB   ALA  35          2HB       ALA  35  -4.976   5.208 -14.390
  255   3HB   ALA  35          3HB       ALA  35  -5.144   4.548 -12.744
  256    H    GLY  36           HN       GLY  36  -5.979   0.609 -13.902
  257   1HA   GLY  36          1HA       GLY  36  -4.838  -1.270 -13.361
  258   2HA   GLY  36          2HA       GLY  36  -3.916  -0.867 -14.796
  259    H    GLN  37           HN       GLN  37  -4.116   0.605 -11.472
  260    HA   GLN  37           HA       GLN  37  -1.388  -0.174 -11.028
  261   1HB   GLN  37          2HB       GLN  37  -0.749   2.214 -10.409
  262   2HB   GLN  37          3HB       GLN  37  -0.947   1.913 -12.123
  263   1HG   GLN  37          2HG       GLN  37  -2.461   3.598 -12.199
  264   2HG   GLN  37          3HG       GLN  37  -3.538   2.629 -11.214
  265   1HE2  GLN  37          1HE2      GLN  37  -4.006   3.237  -9.217
  266   2HE2  GLN  37          2HE2      GLN  37  -3.273   4.540  -8.341
  267    H    ILE  38           HN       ILE  38  -1.305  -0.945  -8.965
  268    HA   ILE  38           HA       ILE  38  -3.402  -0.061  -7.137
  269    HB   ILE  38           HB       ILE  38  -2.895  -2.512  -7.763
  270   1HG1  ILE  38          2HG1      ILE  38  -3.021  -2.732  -4.940
  271   2HG1  ILE  38          3HG1      ILE  38  -3.822  -1.230  -5.353
  272   1HG2  ILE  38          1HG2      ILE  38  -1.254  -3.478  -6.001
  273   2HG2  ILE  38          2HG2      ILE  38  -0.606  -2.775  -7.502
  274   3HG2  ILE  38          3HG2      ILE  38  -0.562  -1.838  -5.989
  275   1HD1  ILE  38          1HD1      ILE  38  -4.402  -3.851  -6.798
  276   2HD1  ILE  38          2HD1      ILE  38  -5.316  -3.299  -5.373
  277   3HD1  ILE  38          3HD1      ILE  38  -5.341  -2.341  -6.874
  278    H    ALA  39           HN       ALA  39  -2.979   1.043  -5.249
  279    HA   ALA  39           HA       ALA  39  -0.439   2.324  -5.090
  280   1HB   ALA  39          1HB       ALA  39  -1.475   3.687  -3.514
  281   2HB   ALA  39          2HB       ALA  39  -2.876   3.128  -4.459
  282   3HB   ALA  39          3HB       ALA  39  -2.500   2.370  -2.892
  283    H    SER  40           HN       SER  40   1.326   1.156  -4.475
  284    HA   SER  40           HA       SER  40   1.163  -0.096  -1.895
  285   1HB   SER  40          2HB       SER  40   1.584  -1.604  -4.465
  286   2HB   SER  40          3HB       SER  40   2.538  -2.091  -3.077
  287    HG   SER  40           HG       SER  40   0.817  -3.061  -2.272
  288    H    SER  41           HN       SER  41   3.619  -1.154  -1.556
  289    HA   SER  41           HA       SER  41   5.291   1.136  -1.931
  290   1HB   SER  41          2HB       SER  41   6.883  -0.752  -0.706
  291   2HB   SER  41          3HB       SER  41   5.853   0.387   0.140
  292    HG   SER  41           HG       SER  41   4.782  -1.297   0.890
  293    HA   PRO  42           HA       PRO  42   7.246  -0.627  -5.427
  294   1HB   PRO  42          2HB       PRO  42   9.167   1.277  -5.819
  295   2HB   PRO  42          3HB       PRO  42   7.524   1.439  -6.406
  296   1HG   PRO  42          2HG       PRO  42   8.810   2.777  -4.105
  297   2HG   PRO  42          3HG       PRO  42   7.345   3.223  -4.956
  298   1HD   PRO  42          2HD       PRO  42   7.519   1.937  -2.399
  299   2HD   PRO  42          3HD       PRO  42   6.057   2.279  -3.302
  300    H    ARG  43           HN       ARG  43   9.531   0.732  -3.090
  301    HA   ARG  43           HA       ARG  43  10.835  -1.861  -3.205
  302   1HB   ARG  43          2HB       ARG  43  12.292   0.826  -3.068
  303   2HB   ARG  43          3HB       ARG  43  13.050  -0.752  -3.133
  304   1HG   ARG  43          2HG       ARG  43  11.101  -0.133  -5.328
  305   2HG   ARG  43          3HG       ARG  43  12.595   0.783  -5.343
  306   1HD   ARG  43          2HD       ARG  43  13.320  -1.063  -6.544
  307   2HD   ARG  43          3HD       ARG  43  13.679  -1.653  -4.934
  308    HE   ARG  43           HE       ARG  43  11.102  -2.491  -5.221
  309   1HH1  ARG  43          1HH1      ARG  43  11.313  -5.146  -7.475
  310   2HH1  ARG  43          2HH1      ARG  43  10.374  -4.414  -6.216
  311   1HH2  ARG  43          1HH2      ARG  43  13.308  -4.172  -8.151
  312   2HH2  ARG  43          2HH2      ARG  43  13.858  -2.713  -7.396
  313    H    THR  44           HN       THR  44  10.012   1.147  -1.463
  314    HA   THR  44           HA       THR  44   9.869   1.641   0.699
  315    HB   THR  44           HB       THR  44   9.746  -1.405   0.778
  316    HG1  THR  44           1HG      THR  44   7.505  -0.691   1.284
  317   1HG2  THR  44          1HG2      THR  44   8.594  -0.665   3.124
  318   2HG2  THR  44          2HG2      THR  44  10.303  -1.155   3.033
  319   3HG2  THR  44          3HG2      THR  44   9.871   0.573   3.048
  320    H    GLU  45           HN       GLU  45  12.572   0.836  -0.768
  321    HA   GLU  45           HA       GLU  45  14.350  -0.053   1.066
  322   1HB   GLU  45          2HB       GLU  45  16.069   1.139  -0.258
  323   2HB   GLU  45          3HB       GLU  45  14.899   0.354  -1.299
  324   1HG   GLU  45          2HG       GLU  45  13.788   2.426  -1.806
  325   2HG   GLU  45          3HG       GLU  45  14.558   3.262  -0.473
  326    H    ASP  46           HN       ASP  46  12.564   2.948   1.065
  327    HA   ASP  46           HA       ASP  46  14.287   3.882   3.226
  328   1HB   ASP  46          2HB       ASP  46  12.982   5.284   0.929
  329   2HB   ASP  46          3HB       ASP  46  12.869   6.120   2.466
  330    H    CYS  47           HN       CYS  47  13.062   2.963   4.964
  331    HA   CYS  47           HA       CYS  47  10.955   4.303   5.981
  332   1HB   CYS  47          2HB       CYS  47   9.317   3.851   4.450
  333   2HB   CYS  47          3HB       CYS  47  10.031   2.333   3.946
  334    H    VAL  48           HN       VAL  48  10.356   3.352   8.036
  335    HA   VAL  48           HA       VAL  48  10.899   0.662   8.655
  336    HB   VAL  48           HB       VAL  48  13.198   1.206   8.503
  337   1HG1  VAL  48          1HG1      VAL  48  12.771   3.728   8.670
  338   2HG1  VAL  48          2HG1      VAL  48  12.868   3.510  10.435
  339   3HG1  VAL  48          3HG1      VAL  48  14.266   3.106   9.410
  340   1HG2  VAL  48          1HG2      VAL  48  13.991   0.752  10.735
  341   2HG2  VAL  48          2HG2      VAL  48  12.486   1.382  11.449
  342   3HG2  VAL  48          3HG2      VAL  48  12.458  -0.119  10.493
  343    H    GLY  49           HN       GLY  49   8.643   1.168   9.265
  344   1HA   GLY  49          1HA       GLY  49   7.047   1.703  10.755
  345   2HA   GLY  49          2HA       GLY  49   8.279   1.463  11.977
  346    H    CYS  50           HN       CYS  50   6.319   3.778  10.266
  347    HA   CYS  50           HA       CYS  50   7.156   5.822  12.070
  348   1HB   CYS  50          2HB       CYS  50   8.378   7.182  10.761
  349   2HB   CYS  50          3HB       CYS  50   8.675   5.747   9.800
  350    H    LYS  51           HN       LYS  51   5.633   7.709  11.905
  351    HA   LYS  51           HA       LYS  51   3.619   8.582  11.676
  352   1HB   LYS  51          2HB       LYS  51   4.388   8.006   9.120
  353   2HB   LYS  51          3HB       LYS  51   2.870   7.137   9.206
  354   1HG   LYS  51          2HG       LYS  51   3.241  10.076   9.961
  355   2HG   LYS  51          3HG       LYS  51   2.584   9.510   8.438
  356   1HD   LYS  51          2HD       LYS  51   0.527   9.201   9.351
  357   2HD   LYS  51          3HD       LYS  51   1.183   8.222  10.647
  358   1HE   LYS  51          2HE       LYS  51   1.214   9.974  12.134
  359   2HE   LYS  51          3HE       LYS  51   1.786  11.115  10.934
  360   1HZ   LYS  51          1HZ       LYS  51  -0.969  10.107  10.972
  361   2HZ   LYS  51          2HZ       LYS  51  -0.510  11.478  11.733
  362   3HZ   LYS  51          3HZ       LYS  51  -0.384  11.366  10.109
  363    H    ARG  52           HN       ARG  52   2.890   5.405  10.103
  364    HA   ARG  52           HA       ARG  52   2.029   4.097  12.312
  365   1HB   ARG  52          2HB       ARG  52   0.100   6.145  11.407
  366   2HB   ARG  52          3HB       ARG  52  -0.611   4.543  11.424
  367   1HG   ARG  52          2HG       ARG  52   0.793   4.578  13.830
  368   2HG   ARG  52          3HG       ARG  52   0.262   6.242  13.695
  369   1HD   ARG  52          2HD       ARG  52  -1.849   5.651  14.288
  370   2HD   ARG  52          3HD       ARG  52  -1.951   4.546  12.931
  371    HE   ARG  52           HE       ARG  52  -0.408   3.163  14.784
  372   1HH1  ARG  52          1HH1      ARG  52  -2.878   1.895  16.898
  373   2HH1  ARG  52          2HH1      ARG  52  -1.244   1.723  16.348
  374   1HH2  ARG  52          1HH2      ARG  52  -4.216   3.590  16.046
  375   2HH2  ARG  52          2HH2      ARG  52  -3.581   4.681  14.861
  376    H    CYS  53           HN       CYS  53   0.069   4.782   9.327
  377    HA   CYS  53           HA       CYS  53  -0.682   3.391   7.775
  378   1HB   CYS  53          2HB       CYS  53   0.994   2.535   6.286
  379   2HB   CYS  53          3HB       CYS  53   1.567   4.062   6.927
  380    H    GLU  54           HN       GLU  54  -1.337   2.316  10.199
  381    HA   GLU  54           HA       GLU  54  -0.435  -0.449  10.052
  382   1HB   GLU  54          2HB       GLU  54  -1.210  -0.647  12.390
  383   2HB   GLU  54          3HB       GLU  54  -0.053   0.659  12.222
  384   1HG   GLU  54          2HG       GLU  54  -1.577   2.226  12.861
  385   2HG   GLU  54          3HG       GLU  54  -2.787   1.616  11.750
  386    H    THR  55           HN       THR  55  -2.302   0.509   8.108
  387    HA   THR  55           HA       THR  55  -4.773  -0.812   9.025
  388    HB   THR  55           HB       THR  55  -4.639   1.791   8.411
  389    HG1  THR  55           1HG      THR  55  -6.458  -0.316   7.517
  390   1HG2  THR  55          1HG2      THR  55  -4.946   0.377   5.709
  391   2HG2  THR  55          2HG2      THR  55  -5.355   2.083   6.010
  392   3HG2  THR  55          3HG2      THR  55  -3.667   1.536   6.143
  393    H    ALA  56           HN       ALA  56  -2.694  -0.145   6.131
  394    HA   ALA  56           HA       ALA  56  -2.599  -1.270   4.188
  395   1HB   ALA  56          1HB       ALA  56  -0.891  -2.370   5.432
  396   2HB   ALA  56          2HB       ALA  56  -2.073  -3.334   6.351
  397   3HB   ALA  56          3HB       ALA  56  -1.802  -3.667   4.623
  398    H    CYS  57           HN       CYS  57  -5.117  -0.766   4.146
  399    HA   CYS  57           HA       CYS  57  -7.113  -1.413   3.508
  400   1HB   CYS  57          2HB       CYS  57  -5.355  -3.172   2.187
  401   2HB   CYS  57          3HB       CYS  57  -6.648  -4.191   2.791
  402    HA   PRO  58           HA       PRO  58  -8.822  -3.574   6.881
  403   1HB   PRO  58          2HB       PRO  58 -11.342  -4.159   6.000
  404   2HB   PRO  58          3HB       PRO  58 -10.879  -2.578   6.600
  405   1HG   PRO  58          2HG       PRO  58 -11.336  -3.441   3.809
  406   2HG   PRO  58          3HG       PRO  58 -11.294  -1.816   4.462
  407   1HD   PRO  58          2HD       PRO  58  -9.229  -3.112   2.953
  408   2HD   PRO  58          3HD       PRO  58  -9.143  -1.532   3.704
  409    H    THR  59           HN       THR  59 -10.805  -5.443   4.769
  410    HA   THR  59           HA       THR  59  -9.027  -7.738   5.213
  411    HB   THR  59           HB       THR  59 -12.058  -7.672   5.659
  412    HG1  THR  59           1HG      THR  59 -11.426  -7.331   7.777
  413   1HG2  THR  59          1HG2      THR  59 -10.553  -9.801   6.965
  414   2HG2  THR  59          2HG2      THR  59 -11.926  -9.945   5.841
  415   3HG2  THR  59          3HG2      THR  59 -10.263  -9.857   5.209
  416    H    ASP  60           HN       ASP  60 -10.514  -5.699   3.046
  417    HA   ASP  60           HA       ASP  60 -11.783  -7.200   1.242
  418   1HB   ASP  60          2HB       ASP  60 -10.285  -4.722   1.258
  419   2HB   ASP  60          3HB       ASP  60  -9.913  -5.575  -0.227
  420    H    PHE  61           HN       PHE  61  -8.356  -7.249   2.144
  421    HA   PHE  61           HA       PHE  61  -7.956  -9.547   0.440
  422   1HB   PHE  61          2HB       PHE  61  -6.560  -6.836   0.253
  423   2HB   PHE  61          3HB       PHE  61  -5.662  -8.280  -0.169
  424    HD1  PHE  61           1HD      PHE  61  -6.568  -9.762  -2.023
  425    HD2  PHE  61           2HD      PHE  61  -8.048  -5.854  -1.281
  426    HE1  PHE  61           1HE      PHE  61  -7.539  -9.690  -4.338
  427    HE2  PHE  61           2HE      PHE  61  -9.018  -5.782  -3.596
  428    HZ   PHE  61           HZ       PHE  61  -8.752  -7.701  -5.096
  429    H    LEU  62           HN       LEU  62  -5.400  -7.435   1.784
  430    HA   LEU  62           HA       LEU  62  -3.771  -7.933   3.214
  431   1HB   LEU  62          2HB       LEU  62  -6.319  -7.949   4.586
  432   2HB   LEU  62          3HB       LEU  62  -5.157  -8.963   5.418
  433    HG   LEU  62           HG       LEU  62  -4.711  -6.059   4.670
  434   1HD1  LEU  62          1HD1      LEU  62  -4.776  -6.623   7.507
  435   2HD1  LEU  62          2HD1      LEU  62  -5.704  -5.438   6.556
  436   3HD1  LEU  62          3HD1      LEU  62  -6.300  -7.107   6.724
  437   1HD2  LEU  62          1HD2      LEU  62  -2.712  -6.174   6.033
  438   2HD2  LEU  62          2HD2      LEU  62  -3.031  -7.884   6.412
  439   3HD2  LEU  62          3HD2      LEU  62  -2.640  -7.400   4.744
  440    H    SER  63           HN       SER  63  -2.567  -9.552   2.218
  441    HA   SER  63           HA       SER  63  -3.393 -12.173   2.027
  442   1HB   SER  63          2HB       SER  63  -1.494 -11.022   0.776
  443   2HB   SER  63          3HB       SER  63  -0.513 -11.192   2.219
  444    HG   SER  63           HG       SER  63  -1.810 -13.474   1.024
  445    H    ILE  64           HN       ILE  64  -0.731 -13.286   3.164
  446    HA   ILE  64           HA       ILE  64  -1.499 -13.227   5.997
  447    HB   ILE  64           HB       ILE  64  -0.759 -15.644   6.027
  448   1HG1  ILE  64          2HG1      ILE  64  -1.488 -16.065   3.226
  449   2HG1  ILE  64          3HG1      ILE  64  -0.014 -15.134   3.395
  450   1HG2  ILE  64          1HG2      ILE  64  -3.018 -16.331   4.828
  451   2HG2  ILE  64          2HG2      ILE  64  -3.007 -15.442   6.370
  452   3HG2  ILE  64          3HG2      ILE  64  -3.281 -14.571   4.842
  453   1HD1  ILE  64          1HD1      ILE  64   0.146 -17.750   3.381
  454   2HD1  ILE  64          2HD1      ILE  64   1.101 -16.848   4.583
  455   3HD1  ILE  64          3HD1      ILE  64  -0.423 -17.633   5.064
  456    H    ARG  65           HN       ARG  65   0.127 -11.464   6.079
  457    HA   ARG  65           HA       ARG  65   2.733 -12.673   6.398
  458   1HB   ARG  65          2HB       ARG  65   2.170 -10.109   4.826
  459   2HB   ARG  65          3HB       ARG  65   3.773 -10.572   5.361
  460   1HG   ARG  65          2HG       ARG  65   2.370 -12.768   3.964
  461   2HG   ARG  65          3HG       ARG  65   2.555 -11.345   2.958
  462   1HD   ARG  65          2HD       ARG  65   4.871 -11.505   2.903
  463   2HD   ARG  65          3HD       ARG  65   4.978 -12.143   4.531
  464    HE   ARG  65           HE       ARG  65   4.579 -13.695   2.059
  465   1HH1  ARG  65          1HH1      ARG  65   4.675 -16.725   3.787
  466   2HH1  ARG  65          2HH1      ARG  65   4.703 -15.971   2.228
  467   1HH2  ARG  65          1HH2      ARG  65   4.511 -15.426   5.703
  468   2HH2  ARG  65          2HH2      ARG  65   4.417 -13.700   5.574
  469    H    VAL  66           HN       VAL  66   4.211 -11.217   7.762
  470    HA   VAL  66           HA       VAL  66   2.706  -9.270   9.335
  471    HB   VAL  66           HB       VAL  66   3.807 -10.273  11.382
  472   1HG1  VAL  66          1HG1      VAL  66   1.362 -10.776  10.161
  473   2HG1  VAL  66          2HG1      VAL  66   1.973 -12.399  10.564
  474   3HG1  VAL  66          3HG1      VAL  66   1.805 -11.169  11.840
  475   1HG2  VAL  66          1HG2      VAL  66   4.442 -12.624  11.314
  476   2HG2  VAL  66          2HG2      VAL  66   4.105 -12.690   9.568
  477   3HG2  VAL  66          3HG2      VAL  66   5.444 -11.688  10.179
  478    H    TYR  67           HN       TYR  67   3.818  -7.391   9.362
  479    HA   TYR  67           HA       TYR  67   6.744  -7.563   9.352
  480   1HB   TYR  67          2HB       TYR  67   4.752  -6.152   7.521
  481   2HB   TYR  67          3HB       TYR  67   6.280  -5.351   7.831
  482    HD1  TYR  67           HD1      TYR  67   4.772  -8.474   6.476
  483    HD2  TYR  67           HD2      TYR  67   8.262  -6.011   6.699
  484    HE1  TYR  67           HE1      TYR  67   5.876  -9.861   4.653
  485    HE2  TYR  67           HE2      TYR  67   9.354  -7.405   4.876
  486    HH   TYR  67           HH       TYR  67   7.545  -9.797   3.109
  487    H    LEU  68           HN       LEU  68   3.994  -5.179   9.452
  488    HA   LEU  68           HA       LEU  68   5.174  -3.186  10.810
  489   1HB   LEU  68          2HB       LEU  68   2.380  -4.290  10.979
  490   2HB   LEU  68          3HB       LEU  68   2.858  -2.853  11.860
  491    HG   LEU  68           HG       LEU  68   3.051  -3.169   8.852
  492   1HD1  LEU  68          1HD1      LEU  68   0.761  -3.140   9.220
  493   2HD1  LEU  68          2HD1      LEU  68   0.892  -2.047  10.620
  494   3HD1  LEU  68          3HD1      LEU  68   1.144  -1.419   8.973
  495   1HD2  LEU  68          1HD2      LEU  68   3.206  -0.599   9.043
  496   2HD2  LEU  68          2HD2      LEU  68   3.666  -0.902  10.736
  497   3HD2  LEU  68          3HD2      LEU  68   4.649  -1.574   9.412
  498    H    GLY  69           HN       GLY  69   6.537  -3.273  12.515
  499   1HA   GLY  69          1HA       GLY  69   7.252  -3.636  14.618
  500   2HA   GLY  69          2HA       GLY  69   5.631  -4.141  15.052
  501    H    ALA  70           HN       ALA  70   8.637  -5.269  13.381
  502    HA   ALA  70           HA       ALA  70   8.695  -7.678  14.803
  503   1HB   ALA  70          1HB       ALA  70   6.768  -8.331  13.482
  504   2HB   ALA  70          2HB       ALA  70   7.572  -7.822  11.978
  505   3HB   ALA  70          3HB       ALA  70   8.189  -9.223  12.888
  506    H    GLU  71           HN       GLU  71   9.482  -5.826  11.829
  507    HA   GLU  71           HA       GLU  71  11.773  -7.219  11.179
  508   1HB   GLU  71          2HB       GLU  71  11.411  -4.233  10.743
  509   2HB   GLU  71          3HB       GLU  71  12.285  -5.368   9.734
  510   1HG   GLU  71          2HG       GLU  71  10.405  -5.724   8.523
  511   2HG   GLU  71          3HG       GLU  71   9.625  -6.391   9.944
  512    H    THR  72           HN       THR  72  13.550  -4.697  11.112
  513    HA   THR  72           HA       THR  72  15.422  -4.236  12.296
  514    HB   THR  72           HB       THR  72  14.654  -2.896  14.432
  515    HG1  THR  72           1HG      THR  72  12.146  -3.445  13.025
  516   1HG2  THR  72          1HG2      THR  72  13.296  -1.241  12.936
  517   2HG2  THR  72          2HG2      THR  72  14.981  -1.559  12.458
  518   3HG2  THR  72          3HG2      THR  72  13.645  -2.366  11.601
  519    H    THR  73           HN       THR  73  14.593  -7.025  12.607
  520    HA   THR  73           HA       THR  73  15.367  -7.495  15.402
  521    HB   THR  73           HB       THR  73  13.964  -9.177  13.266
  522    HG1  THR  73           1HG      THR  73  12.260  -8.857  14.821
  523   1HG2  THR  73          1HG2      THR  73  13.635 -10.556  15.599
  524   2HG2  THR  73          2HG2      THR  73  14.919 -10.951  14.431
  525   3HG2  THR  73          3HG2      THR  73  15.289  -9.945  15.852
  526    H    ARG  74           HN       ARG  74  16.093  -8.598  12.027
  527    HA   ARG  74           HA       ARG  74  18.718  -9.300  13.076
  528   1HB   ARG  74          2HB       ARG  74  18.808 -10.872  11.034
  529   2HB   ARG  74          3HB       ARG  74  17.688 -11.329  12.300
  530   1HG   ARG  74          2HG       ARG  74  16.711  -9.574  10.033
  531   2HG   ARG  74          3HG       ARG  74  16.903 -11.294   9.757
  532   1HD   ARG  74          2HD       ARG  74  15.448 -10.490  12.263
  533   2HD   ARG  74          3HD       ARG  74  14.613 -10.212  10.748
  534    HE   ARG  74           HE       ARG  74  15.222 -12.807  11.952
  535   1HH1  ARG  74          1HH1      ARG  74  13.885 -14.590   9.267
  536   2HH1  ARG  74          2HH1      ARG  74  14.446 -14.682  10.903
  537   1HH2  ARG  74          1HH2      ARG  74  13.924 -12.561   8.140
  538   2HH2  ARG  74          2HH2      ARG  74  14.514 -11.140   8.936
  539    H    SER  75           HN       SER  75  16.794  -7.679  10.549
  540    HA   SER  75           HA       SER  75  19.203  -6.931   9.146
  541   1HB   SER  75          2HB       SER  75  16.541  -7.438   8.361
  542   2HB   SER  75          3HB       SER  75  16.716  -5.703   8.187
  543    HG   SER  75           HG       SER  75  18.965  -6.701   7.170
  544    H    MET  76           HN       MET  76  18.405  -5.979  11.955
  545    HA   MET  76           HA       MET  76  17.380  -3.554  12.143
  546   1HB   MET  76          2HB       MET  76  19.751  -4.918  13.432
  547   2HB   MET  76          3HB       MET  76  19.534  -3.217  13.792
  548   1HG   MET  76          2HG       MET  76  17.004  -3.938  14.249
  549   2HG   MET  76          3HG       MET  76  17.697  -5.536  14.436
  550   1HE   MET  76          1HE       MET  76  17.493  -6.202  16.400
  551   2HE   MET  76          2HE       MET  76  19.164  -6.145  17.009
  552   3HE   MET  76          3HE       MET  76  17.845  -5.432  17.967
  553    H    GLY  77           HN       GLY  77  20.762  -4.259  11.048
  554   1HA   GLY  77          1HA       GLY  77  21.134  -2.556   9.083
  555   2HA   GLY  77          2HA       GLY  77  21.164  -1.429  10.425
  556    H    LEU  78           HN       LEU  78  22.352  -4.848  10.319
  557    HA   LEU  78           HA       LEU  78  25.008  -3.784  10.979
  558   1HB   LEU  78          2HB       LEU  78  24.077  -6.572  11.583
  559   2HB   LEU  78          3HB       LEU  78  25.412  -5.677  12.283
  560    HG   LEU  78           HG       LEU  78  22.456  -5.308  12.798
  561   1HD1  LEU  78          1HD1      LEU  78  23.236  -7.030  14.159
  562   2HD1  LEU  78          2HD1      LEU  78  24.810  -6.242  14.428
  563   3HD1  LEU  78          3HD1      LEU  78  23.345  -5.593  15.203
  564   1HD2  LEU  78          1HD2      LEU  78  23.854  -3.130  12.518
  565   2HD2  LEU  78          2HD2      LEU  78  22.785  -3.319  13.928
  566   3HD2  LEU  78          3HD2      LEU  78  24.537  -3.578  14.100
  567    H    ALA  79           HN       ALA  79  23.520  -6.757   9.501
  568    HA   ALA  79           HA       ALA  79  25.803  -6.938   7.731
  569   1HB   ALA  79          1HB       ALA  79  25.340  -9.127   7.923
  570   2HB   ALA  79          2HB       ALA  79  23.935  -8.731   8.942
  571   3HB   ALA  79          3HB       ALA  79  23.744  -8.866   7.177
  572    H    TYR  80           HN       TYR  80  22.295  -6.179   7.675
  573    HA   TYR  80           HA       TYR  80  21.599  -6.270   5.123
  574   1HB   TYR  80          2HB       TYR  80  20.079  -4.517   5.757
  575   2HB   TYR  80          3HB       TYR  80  20.587  -5.134   7.316
  576    HD1  TYR  80           HD1      TYR  80  19.604  -2.258   6.190
  577    HD2  TYR  80           HD2      TYR  80  23.316  -3.911   7.528
  578    HE1  TYR  80           HE1      TYR  80  20.407   0.062   6.852
  579    HE2  TYR  80           HE2      TYR  80  24.107  -1.586   8.185
  580    HH   TYR  80           HH       TYR  80  23.227   0.518   8.752
  Start of MODEL   27
    1    H    SER   1           HN       SER   1  -1.152  -2.454  13.110
    2    HA   SER   1           HA       SER   1  -3.805  -1.815  12.395
    3   1HB   SER   1          2HB       SER   1  -1.254  -1.013  10.936
    4   2HB   SER   1          3HB       SER   1  -2.793  -0.176  10.909
    5    HG   SER   1           HG       SER   1  -0.787  -0.219  12.918
    6    H    HIS   2           HN       HIS   2  -2.719  -4.646  11.915
    7    HA   HIS   2           HA       HIS   2  -3.047  -6.240  10.439
    8   1HB   HIS   2          2HB       HIS   2  -4.297  -4.325   8.481
    9   2HB   HIS   2          3HB       HIS   2  -4.626  -6.030   8.712
   10    HD1  HIS   2           HD1      HIS   2  -6.581  -3.342   8.952
   11    HD2  HIS   2           HD2      HIS   2  -5.278  -5.940  11.977
   12    HE1  HIS   2           HE1      HIS   2  -8.270  -3.131  10.852
   13    H    SER   3           HN       SER   3  -1.714  -7.232   8.922
   14    HA   SER   3           HA       SER   3   0.659  -6.296   8.350
   15   1HB   SER   3          2HB       SER   3   0.866  -7.977   6.703
   16   2HB   SER   3          3HB       SER   3  -0.432  -8.563   7.726
   17    HG   SER   3           HG       SER   3  -1.923  -8.180   6.162
   18    H    VAL   4           HN       VAL   4   1.744  -5.287   6.466
   19    HA   VAL   4           HA       VAL   4  -0.055  -3.718   4.776
   20    HB   VAL   4           HB       VAL   4   0.603  -2.328   6.681
   21   1HG1  VAL   4          1HG1      VAL   4   3.461  -2.280   5.791
   22   2HG1  VAL   4          2HG1      VAL   4   2.754  -1.969   7.395
   23   3HG1  VAL   4          3HG1      VAL   4   2.914  -3.639   6.801
   24   1HG2  VAL   4          1HG2      VAL   4   2.238  -0.935   4.745
   25   2HG2  VAL   4          2HG2      VAL   4   0.853  -1.711   3.941
   26   3HG2  VAL   4          3HG2      VAL   4   0.581  -0.582   5.291
   27    H    LYS   5           HN       LYS   5   1.990  -6.173   4.819
   28    HA   LYS   5           HA       LYS   5   4.166  -5.515   3.264
   29   1HB   LYS   5          2HB       LYS   5   2.553  -8.032   3.635
   30   2HB   LYS   5          3HB       LYS   5   3.879  -7.988   2.492
   31   1HG   LYS   5          2HG       LYS   5   4.678  -6.752   5.022
   32   2HG   LYS   5          3HG       LYS   5   4.050  -8.364   5.302
   33   1HD   LYS   5          2HD       LYS   5   6.372  -8.699   4.878
   34   2HD   LYS   5          3HD       LYS   5   5.586  -9.156   3.380
   35   1HE   LYS   5          2HE       LYS   5   6.537  -7.430   2.211
   36   2HE   LYS   5          3HE       LYS   5   6.228  -6.270   3.487
   37   1HZ   LYS   5          1HZ       LYS   5   8.143  -7.992   4.442
   38   2HZ   LYS   5          2HZ       LYS   5   8.598  -7.630   2.915
   39   3HZ   LYS   5          3HZ       LYS   5   8.347  -6.434   3.999
   40    H    ILE   6           HN       ILE   6   4.504  -5.004   1.145
   41    HA   ILE   6           HA       ILE   6   2.584  -3.966  -0.422
   42    HB   ILE   6           HB       ILE   6   4.100  -4.201  -2.270
   43   1HG1  ILE   6          2HG1      ILE   6   4.617  -6.712  -1.420
   44   2HG1  ILE   6          3HG1      ILE   6   5.613  -5.840  -2.568
   45   1HG2  ILE   6          1HG2      ILE   6   5.736  -3.838   0.251
   46   2HG2  ILE   6          2HG2      ILE   6   6.021  -3.121  -1.353
   47   3HG2  ILE   6          3HG2      ILE   6   4.608  -2.620  -0.393
   48   1HD1  ILE   6          1HD1      ILE   6   7.089  -5.055  -0.732
   49   2HD1  ILE   6          2HD1      ILE   6   6.066  -5.903   0.452
   50   3HD1  ILE   6          3HD1      ILE   6   6.988  -6.832  -0.754
   51    H    TYR   7           HN       TYR   7   1.123  -4.639  -2.015
   52    HA   TYR   7           HA       TYR   7   1.001  -7.190  -3.089
   53   1HB   TYR   7          2HB       TYR   7  -0.245  -6.680  -0.384
   54   2HB   TYR   7          3HB       TYR   7  -1.285  -7.510  -1.524
   55    HD1  TYR   7           HD1      TYR   7   0.835  -8.079   1.105
   56    HD2  TYR   7           HD2      TYR   7   0.174  -9.454  -2.892
   57    HE1  TYR   7           HE1      TYR   7   1.969 -10.283   1.668
   58    HE2  TYR   7           HE2      TYR   7   1.310 -11.654  -2.316
   59    HH   TYR   7           HH       TYR   7   2.252 -12.383   0.989
   60    H    ASP   8           HN       ASP   8  -1.409  -7.644  -3.906
   61    HA   ASP   8           HA       ASP   8  -2.169  -5.174  -5.129
   62   1HB   ASP   8          2HB       ASP   8  -3.477  -6.523  -6.615
   63   2HB   ASP   8          3HB       ASP   8  -2.011  -7.436  -6.317
   64    H    THR   9           HN       THR   9  -2.640  -5.193  -2.302
   65    HA   THR   9           HA       THR   9  -5.504  -5.744  -2.023
   66    HB   THR   9           HB       THR   9  -3.896  -6.692  -0.347
   67    HG1  THR   9           1HG      THR   9  -5.011  -5.380   1.480
   68   1HG2  THR   9          1HG2      THR   9  -2.684  -4.106  -0.521
   69   2HG2  THR   9          2HG2      THR   9  -3.434  -4.197   1.091
   70   3HG2  THR   9          3HG2      THR   9  -2.244  -5.424   0.591
   71    H    CYS  10           HN       CYS  10  -6.419  -4.058  -3.224
   72    HA   CYS  10           HA       CYS  10  -6.375  -1.559  -1.780
   73   1HB   CYS  10          2HB       CYS  10  -4.561  -1.444  -3.580
   74   2HB   CYS  10          3HB       CYS  10  -5.852  -1.512  -4.763
   75    H    ILE  11           HN       ILE  11  -8.335  -0.306  -2.231
   76    HA   ILE  11           HA       ILE  11 -10.330  -1.850  -3.738
   77    HB   ILE  11           HB       ILE  11 -11.999  -1.096  -2.158
   78   1HG1  ILE  11          2HG1      ILE  11 -10.871  -0.139   0.081
   79   2HG1  ILE  11          3HG1      ILE  11  -9.738   0.524  -1.080
   80   1HG2  ILE  11          1HG2      ILE  11 -11.039  -2.299  -0.082
   81   2HG2  ILE  11          2HG2      ILE  11 -11.195  -3.208  -1.605
   82   3HG2  ILE  11          3HG2      ILE  11  -9.606  -2.583  -1.099
   83   1HD1  ILE  11          1HD1      ILE  11 -11.254   2.030  -1.880
   84   2HD1  ILE  11          2HD1      ILE  11 -12.563   0.824  -1.918
   85   3HD1  ILE  11          3HD1      ILE  11 -12.171   1.666  -0.399
   86    H    GLY  12           HN       GLY  12  -9.074   1.368  -2.738
   87   1HA   GLY  12          1HA       GLY  12  -8.969   2.806  -4.847
   88   2HA   GLY  12          2HA       GLY  12 -10.710   2.600  -4.861
   89    H    CYS  13           HN       CYS  13  -8.473   3.003  -2.037
   90    HA   CYS  13           HA       CYS  13 -10.002   5.417  -1.385
   91   1HB   CYS  13          2HB       CYS  13 -10.209   4.750   0.751
   92   2HB   CYS  13          3HB       CYS  13  -9.854   3.148   0.134
   93    H    THR  14           HN       THR  14  -8.400   6.667   0.419
   94    HA   THR  14           HA       THR  14  -5.913   7.079  -1.093
   95    HB   THR  14           HB       THR  14  -6.016   9.351   0.007
   96    HG1  THR  14           1HG      THR  14  -7.376   9.349   1.751
   97   1HG2  THR  14          1HG2      THR  14  -7.152   9.609  -2.024
   98   2HG2  THR  14          2HG2      THR  14  -8.293   8.291  -1.666
   99   3HG2  THR  14          3HG2      THR  14  -8.506   9.883  -0.901
  100    H    GLN  15           HN       GLN  15  -7.288   6.397   2.135
  101    HA   GLN  15           HA       GLN  15  -5.267   6.817   3.770
  102   1HB   GLN  15          2HB       GLN  15  -6.409   5.454   5.193
  103   2HB   GLN  15          3HB       GLN  15  -7.572   5.333   3.886
  104   1HG   GLN  15          2HG       GLN  15  -6.153   3.342   3.012
  105   2HG   GLN  15          3HG       GLN  15  -5.326   3.386   4.556
  106   1HE2  GLN  15          1HE2      GLN  15  -6.300   1.142   4.422
  107   2HE2  GLN  15          2HE2      GLN  15  -7.846   0.901   5.164
  108    H    CYS  16           HN       CYS  16  -3.312   5.772   4.469
  109    HA   CYS  16           HA       CYS  16  -1.624   4.305   4.368
  110   1HB   CYS  16          2HB       CYS  16  -1.743   2.318   3.297
  111   2HB   CYS  16          3HB       CYS  16  -3.424   2.762   3.070
  112    H    VAL  17           HN       VAL  17  -2.827   5.633   1.215
  113    HA   VAL  17           HA       VAL  17  -0.100   6.272   0.448
  114    HB   VAL  17           HB       VAL  17  -2.739   6.627  -0.987
  115   1HG1  VAL  17          1HG1      VAL  17  -1.439   8.087  -2.163
  116   2HG1  VAL  17          2HG1      VAL  17   0.083   7.296  -1.685
  117   3HG1  VAL  17          3HG1      VAL  17  -0.929   6.583  -2.965
  118   1HG2  VAL  17          1HG2      VAL  17  -0.886   4.335  -0.692
  119   2HG2  VAL  17          2HG2      VAL  17  -2.621   4.370  -1.086
  120   3HG2  VAL  17          3HG2      VAL  17  -1.414   4.686  -2.356
  121    H    ARG  18           HN       ARG  18  -1.848   7.545   2.732
  122    HA   ARG  18           HA       ARG  18  -1.348  10.261   1.816
  123   1HB   ARG  18          2HB       ARG  18  -3.841   9.106   2.667
  124   2HB   ARG  18          3HB       ARG  18  -3.340  10.206   3.935
  125   1HG   ARG  18          2HG       ARG  18  -4.709  11.381   2.232
  126   2HG   ARG  18          3HG       ARG  18  -3.088  12.045   2.300
  127   1HD   ARG  18          2HD       ARG  18  -2.843   9.990   0.405
  128   2HD   ARG  18          3HD       ARG  18  -4.443  10.629   0.085
  129    HE   ARG  18           HE       ARG  18  -1.900  12.005  -0.347
  130   1HH1  ARG  18          1HH1      ARG  18  -3.440  14.965  -1.366
  131   2HH1  ARG  18          2HH1      ARG  18  -1.952  14.083  -1.295
  132   1HH2  ARG  18          1HH2      ARG  18  -5.382  14.036  -0.499
  133   2HH2  ARG  18          2HH2      ARG  18  -5.342  12.460   0.220
  134    H    ALA  19           HN       ALA  19  -2.091   8.340   4.829
  135    HA   ALA  19           HA       ALA  19  -0.928   9.958   6.669
  136   1HB   ALA  19          1HB       ALA  19  -1.960   7.341   6.531
  137   2HB   ALA  19          2HB       ALA  19  -0.323   7.159   7.207
  138   3HB   ALA  19          3HB       ALA  19  -1.499   8.234   7.999
  139    H    CYS  20           HN       CYS  20   0.703   7.278   4.829
  140    HA   CYS  20           HA       CYS  20   3.173   7.429   5.832
  141   1HB   CYS  20          2HB       CYS  20   2.299   5.950   3.943
  142   2HB   CYS  20          3HB       CYS  20   2.693   7.259   2.847
  143    HA   PRO  21           HA       PRO  21   3.997  11.702   4.933
  144   1HB   PRO  21          2HB       PRO  21   5.969  12.044   6.794
  145   2HB   PRO  21          3HB       PRO  21   4.269  12.281   7.145
  146   1HG   PRO  21          2HG       PRO  21   6.022  10.028   7.911
  147   2HG   PRO  21          3HG       PRO  21   4.475  10.495   8.590
  148   1HD   PRO  21          2HD       PRO  21   4.972   8.322   6.785
  149   2HD   PRO  21          3HD       PRO  21   3.411   8.860   7.372
  150    H    LEU  22           HN       LEU  22   6.540   9.320   5.434
  151    HA   LEU  22           HA       LEU  22   8.448  10.706   3.931
  152   1HB   LEU  22          2HB       LEU  22   8.239   7.726   4.373
  153   2HB   LEU  22          3HB       LEU  22   9.677   8.634   3.949
  154    HG   LEU  22           HG       LEU  22   8.807   9.850   6.302
  155   1HD1  LEU  22          1HD1      LEU  22   8.834   7.603   7.740
  156   2HD1  LEU  22          2HD1      LEU  22   7.330   8.345   7.146
  157   3HD1  LEU  22          3HD1      LEU  22   8.049   6.972   6.272
  158   1HD2  LEU  22          1HD2      LEU  22  10.753   8.064   7.111
  159   2HD2  LEU  22          2HD2      LEU  22  11.047   8.226   5.363
  160   3HD2  LEU  22          3HD2      LEU  22  11.028   9.673   6.400
  161    H    ASP  23           HN       ASP  23   5.509   9.202   3.007
  162    HA   ASP  23           HA       ASP  23   4.585   8.824   1.083
  163   1HB   ASP  23          2HB       ASP  23   6.854  10.616   0.300
  164   2HB   ASP  23          3HB       ASP  23   6.121   9.711  -1.009
  165    H    VAL  24           HN       VAL  24   5.539   6.547   1.884
  166    HA   VAL  24           HA       VAL  24   7.568   5.554   0.041
  167    HB   VAL  24           HB       VAL  24   6.313   4.489   2.570
  168   1HG1  VAL  24          1HG1      VAL  24   6.735   2.683   0.844
  169   2HG1  VAL  24          2HG1      VAL  24   8.463   3.097   0.949
  170   3HG1  VAL  24          3HG1      VAL  24   7.603   2.492   2.386
  171   1HG2  VAL  24          1HG2      VAL  24   8.090   5.336   3.631
  172   2HG2  VAL  24          2HG2      VAL  24   9.218   4.633   2.448
  173   3HG2  VAL  24          3HG2      VAL  24   8.467   6.214   2.130
  174    H    LEU  25           HN       LEU  25   4.182   4.910   1.153
  175    HA   LEU  25           HA       LEU  25   3.741   2.802  -0.640
  176   1HB   LEU  25          2HB       LEU  25   1.904   4.674   0.843
  177   2HB   LEU  25          3HB       LEU  25   1.312   3.378  -0.176
  178    HG   LEU  25           HG       LEU  25   3.086   2.035   1.434
  179   1HD1  LEU  25          1HD1      LEU  25   3.158   2.812   3.581
  180   2HD1  LEU  25          2HD1      LEU  25   3.142   4.359   2.700
  181   3HD1  LEU  25          3HD1      LEU  25   1.642   3.732   3.424
  182   1HD2  LEU  25          1HD2      LEU  25   0.286   2.142   0.968
  183   2HD2  LEU  25          2HD2      LEU  25   1.254   0.807   1.639
  184   3HD2  LEU  25          3HD2      LEU  25   0.537   2.021   2.726
  185    H    GLU  26           HN       GLU  26   4.407   3.238  -2.745
  186    HA   GLU  26           HA       GLU  26   3.172   5.566  -3.972
  187   1HB   GLU  26          2HB       GLU  26   5.491   3.820  -4.908
  188   2HB   GLU  26          3HB       GLU  26   4.857   5.188  -5.802
  189   1HG   GLU  26          2HG       GLU  26   5.753   5.524  -2.919
  190   2HG   GLU  26          3HG       GLU  26   6.930   5.546  -4.218
  191    H    MET  27           HN       MET  27   3.237   4.755  -6.683
  192    HA   MET  27           HA       MET  27   1.125   2.768  -6.597
  193   1HB   MET  27          2HB       MET  27   0.628   3.663  -8.916
  194   2HB   MET  27          3HB       MET  27   0.576   4.912  -7.689
  195   1HG   MET  27          2HG       MET  27   2.292   6.058  -8.656
  196   2HG   MET  27          3HG       MET  27   3.298   4.626  -8.732
  197   1HE   MET  27          1HE       MET  27   4.319   5.507 -10.757
  198   2HE   MET  27          2HE       MET  27   3.600   5.548 -12.385
  199   3HE   MET  27          3HE       MET  27   3.271   6.864 -11.234
  200    H    VAL  28           HN       VAL  28   1.252   0.795  -7.685
  201    HA   VAL  28           HA       VAL  28   3.733   0.344  -9.193
  202    HB   VAL  28           HB       VAL  28   4.133  -1.630  -8.120
  203   1HG1  VAL  28          1HG1      VAL  28   4.153  -1.236  -5.791
  204   2HG1  VAL  28          2HG1      VAL  28   4.174   0.381  -6.534
  205   3HG1  VAL  28          3HG1      VAL  28   2.662  -0.268  -5.856
  206   1HG2  VAL  28          1HG2      VAL  28   1.925  -2.629  -8.575
  207   2HG2  VAL  28          2HG2      VAL  28   2.490  -2.990  -6.925
  208   3HG2  VAL  28          3HG2      VAL  28   1.245  -1.745  -7.188
  209    HA   PRO  29           HA       PRO  29   1.206  -1.354 -12.262
  210   1HB   PRO  29          2HB       PRO  29   2.578  -3.525 -13.196
  211   2HB   PRO  29          3HB       PRO  29   2.984  -1.876 -13.629
  212   1HG   PRO  29          2HG       PRO  29   4.374  -3.698 -11.761
  213   2HG   PRO  29          3HG       PRO  29   4.975  -2.239 -12.522
  214   1HD   PRO  29          2HD       PRO  29   4.105  -2.522  -9.804
  215   2HD   PRO  29          3HD       PRO  29   4.597  -1.039 -10.598
  216    H    TRP  30           HN       TRP  30  -0.798  -2.069 -11.953
  217    HA   TRP  30           HA       TRP  30  -0.938  -4.763 -10.784
  218   1HB   TRP  30          2HB       TRP  30  -1.551  -3.157  -9.083
  219   2HB   TRP  30          3HB       TRP  30  -2.683  -2.373 -10.168
  220    HD1  TRP  30           HD1      TRP  30  -5.083  -3.008  -9.371
  221    HE1  TRP  30           HE1      TRP  30  -6.403  -5.142  -8.555
  222    HE3  TRP  30           HE3      TRP  30  -1.090  -6.155  -9.457
  223    HZ2  TRP  30           HZ2      TRP  30  -5.646  -7.846  -8.046
  224    HZ3  TRP  30           HZ3      TRP  30  -1.467  -8.526  -8.786
  225    HH2  TRP  30           HH2      TRP  30  -3.648  -9.386  -8.098
  226    H    ASP  31           HN       ASP  31  -3.987  -3.389 -11.365
  227    HA   ASP  31           HA       ASP  31  -4.306  -3.337 -14.031
  228   1HB   ASP  31          2HB       ASP  31  -3.558  -5.943 -13.377
  229   2HB   ASP  31          3HB       ASP  31  -5.306  -6.061 -13.396
  230    H    GLY  32           HN       GLY  32  -5.630  -5.149 -11.157
  231   1HA   GLY  32          1HA       GLY  32  -8.341  -4.822 -11.680
  232   2HA   GLY  32          2HA       GLY  32  -7.612  -5.062 -10.104
  233    H    CYS  33           HN       CYS  33  -5.951  -2.425 -10.935
  234    HA   CYS  33           HA       CYS  33  -7.745  -0.700  -9.521
  235   1HB   CYS  33          2HB       CYS  33  -4.892  -0.776 -10.127
  236   2HB   CYS  33          3HB       CYS  33  -5.560   0.824 -10.381
  237    HG   CYS  33           HG       CYS  33  -4.769  -0.671  -7.772
  238    H    LYS  34           HN       LYS  34  -8.420   1.444 -10.404
  239    HA   LYS  34           HA       LYS  34  -9.571   1.227 -12.917
  240   1HB   LYS  34          2HB       LYS  34  -9.421   3.161 -10.765
  241   2HB   LYS  34          3HB       LYS  34  -9.327   3.969 -12.316
  242   1HG   LYS  34          2HG       LYS  34 -11.358   1.803 -12.228
  243   2HG   LYS  34          3HG       LYS  34 -11.672   3.105 -11.098
  244   1HD   LYS  34          2HD       LYS  34 -12.442   4.396 -12.792
  245   2HD   LYS  34          3HD       LYS  34 -10.865   4.342 -13.554
  246   1HE   LYS  34          2HE       LYS  34 -11.457   2.594 -14.994
  247   2HE   LYS  34          3HE       LYS  34 -12.629   1.922 -13.879
  248   1HZ   LYS  34          1HZ       LYS  34 -12.931   4.201 -15.667
  249   2HZ   LYS  34          2HZ       LYS  34 -13.919   2.917 -15.463
  250   3HZ   LYS  34          3HZ       LYS  34 -13.870   4.096 -14.334
  251    H    ALA  35           HN       ALA  35  -6.338   2.204 -11.897
  252    HA   ALA  35           HA       ALA  35  -5.779   2.963 -14.682
  253   1HB   ALA  35          1HB       ALA  35  -5.410   4.881 -13.337
  254   2HB   ALA  35          2HB       ALA  35  -4.664   3.926 -12.034
  255   3HB   ALA  35          3HB       ALA  35  -3.793   4.173 -13.565
  256    H    GLY  36           HN       GLY  36  -5.908   0.244 -13.266
  257   1HA   GLY  36          1HA       GLY  36  -4.694  -1.645 -13.121
  258   2HA   GLY  36          2HA       GLY  36  -3.863  -1.046 -14.543
  259    H    GLN  37           HN       GLN  37  -3.888   0.414 -11.237
  260    HA   GLN  37           HA       GLN  37  -1.180  -0.501 -10.859
  261   1HB   GLN  37          2HB       GLN  37  -0.424   1.845 -10.286
  262   2HB   GLN  37          3HB       GLN  37  -0.758   1.589 -11.987
  263   1HG   GLN  37          2HG       GLN  37  -2.221   3.316 -11.927
  264   2HG   GLN  37          3HG       GLN  37  -3.243   2.380 -10.854
  265   1HE2  GLN  37          1HE2      GLN  37  -3.399   2.879  -8.752
  266   2HE2  GLN  37          2HE2      GLN  37  -2.580   4.186  -7.964
  267    H    ILE  38           HN       ILE  38  -0.987  -1.222  -8.782
  268    HA   ILE  38           HA       ILE  38  -3.018  -0.311  -6.887
  269    HB   ILE  38           HB       ILE  38  -2.623  -2.765  -7.501
  270   1HG1  ILE  38          2HG1      ILE  38  -2.553  -3.063  -4.717
  271   2HG1  ILE  38          3HG1      ILE  38  -3.230  -1.466  -4.969
  272   1HG2  ILE  38          1HG2      ILE  38  -0.879  -3.837  -5.987
  273   2HG2  ILE  38          2HG2      ILE  38  -0.281  -2.986  -7.431
  274   3HG2  ILE  38          3HG2      ILE  38  -0.168  -2.213  -5.832
  275   1HD1  ILE  38          1HD1      ILE  38  -4.210  -3.985  -6.389
  276   2HD1  ILE  38          2HD1      ILE  38  -4.973  -3.270  -4.949
  277   3HD1  ILE  38          3HD1      ILE  38  -4.944  -2.366  -6.481
  278    H    ALA  39           HN       ALA  39  -2.477   0.608  -4.886
  279    HA   ALA  39           HA       ALA  39   0.005   2.001  -4.872
  280   1HB   ALA  39          1HB       ALA  39  -2.303   1.738  -2.911
  281   2HB   ALA  39          2HB       ALA  39  -0.890   2.781  -2.624
  282   3HB   ALA  39          3HB       ALA  39  -1.956   3.091  -4.015
  283    H    SER  40           HN       SER  40   1.919   1.087  -4.329
  284    HA   SER  40           HA       SER  40   2.065  -0.385  -1.905
  285   1HB   SER  40          2HB       SER  40   2.601  -1.772  -4.564
  286   2HB   SER  40          3HB       SER  40   3.210  -2.378  -3.037
  287    HG   SER  40           HG       SER  40   0.612  -1.917  -2.612
  288    H    SER  41           HN       SER  41   4.504  -1.126  -1.586
  289    HA   SER  41           HA       SER  41   6.050   1.170  -2.155
  290   1HB   SER  41          2HB       SER  41   6.348  -1.340  -0.567
  291   2HB   SER  41          3HB       SER  41   7.848  -0.627  -1.124
  292    HG   SER  41           HG       SER  41   5.880   1.063   0.097
  293    HA   PRO  42           HA       PRO  42   7.717  -0.428  -5.880
  294   1HB   PRO  42          2HB       PRO  42   9.379   1.655  -6.483
  295   2HB   PRO  42          3HB       PRO  42   7.673   1.644  -6.882
  296   1HG   PRO  42          2HG       PRO  42   9.064   3.130  -4.738
  297   2HG   PRO  42          3HG       PRO  42   7.475   3.418  -5.420
  298   1HD   PRO  42          2HD       PRO  42   8.063   2.182  -2.899
  299   2HD   PRO  42          3HD       PRO  42   6.483   2.365  -3.634
  300    H    ARG  43           HN       ARG  43  10.065   1.145  -3.753
  301    HA   ARG  43           HA       ARG  43  11.568  -1.318  -3.918
  302   1HB   ARG  43          2HB       ARG  43  12.842   1.438  -4.299
  303   2HB   ARG  43          3HB       ARG  43  13.690  -0.095  -4.311
  304   1HG   ARG  43          2HG       ARG  43  11.606  -0.403  -6.214
  305   2HG   ARG  43          3HG       ARG  43  12.215   1.219  -6.475
  306   1HD   ARG  43          2HD       ARG  43  13.758   0.103  -7.783
  307   2HD   ARG  43          3HD       ARG  43  14.598  -0.060  -6.254
  308    HE   ARG  43           HE       ARG  43  12.812  -2.244  -6.401
  309   1HH1  ARG  43          1HH1      ARG  43  14.869  -4.485  -8.112
  310   2HH1  ARG  43          2HH1      ARG  43  13.467  -4.316  -7.107
  311   1HH2  ARG  43          1HH2      ARG  43  16.080  -2.608  -8.738
  312   2HH2  ARG  43          2HH2      ARG  43  15.583  -1.038  -8.202
  313    H    THR  44           HN       THR  44   9.890   0.617  -2.004
  314    HA   THR  44           HA       THR  44  10.028   1.448   0.079
  315    HB   THR  44           HB       THR  44  11.548  -1.201   0.316
  316    HG1  THR  44           1HG      THR  44   8.773  -0.310   0.673
  317   1HG2  THR  44          1HG2      THR  44  10.431  -1.186   2.629
  318   2HG2  THR  44          2HG2      THR  44  11.786  -0.046   2.451
  319   3HG2  THR  44          3HG2      THR  44  10.110   0.546   2.375
  320    H    GLU  45           HN       GLU  45  12.274   2.215  -1.832
  321    HA   GLU  45           HA       GLU  45  14.687   2.292  -0.693
  322   1HB   GLU  45          2HB       GLU  45  14.989   4.513  -1.862
  323   2HB   GLU  45          3HB       GLU  45  14.312   3.254  -2.875
  324   1HG   GLU  45          2HG       GLU  45  12.120   4.184  -2.792
  325   2HG   GLU  45          3HG       GLU  45  12.469   5.126  -1.357
  326    H    ASP  46           HN       ASP  46  11.783   4.120   0.279
  327    HA   ASP  46           HA       ASP  46  13.379   5.549   2.229
  328   1HB   ASP  46          2HB       ASP  46  11.041   6.159   0.681
  329   2HB   ASP  46          3HB       ASP  46  10.530   6.122   2.358
  330    H    CYS  47           HN       CYS  47  11.223   5.940   4.154
  331    HA   CYS  47           HA       CYS  47  10.130   4.988   5.813
  332   1HB   CYS  47          2HB       CYS  47   8.994   3.559   4.135
  333   2HB   CYS  47          3HB       CYS  47  10.275   2.373   4.276
  334    H    VAL  48           HN       VAL  48  10.905   4.285   7.840
  335    HA   VAL  48           HA       VAL  48  13.070   2.412   7.974
  336    HB   VAL  48           HB       VAL  48  14.613   3.955   9.100
  337   1HG1  VAL  48          1HG1      VAL  48  13.908   4.963   6.326
  338   2HG1  VAL  48          2HG1      VAL  48  15.501   4.987   7.120
  339   3HG1  VAL  48          3HG1      VAL  48  14.766   3.436   6.645
  340   1HG2  VAL  48          1HG2      VAL  48  14.206   6.143   9.526
  341   2HG2  VAL  48          2HG2      VAL  48  13.284   6.379   8.022
  342   3HG2  VAL  48          3HG2      VAL  48  12.505   5.626   9.434
  343    H    GLY  49           HN       GLY  49  10.535   2.055   8.877
  344   1HA   GLY  49          1HA       GLY  49   9.513   1.341  10.764
  345   2HA   GLY  49          2HA       GLY  49  10.927   1.792  11.695
  346    H    CYS  50           HN       CYS  50   8.160   3.297   9.884
  347    HA   CYS  50           HA       CYS  50   8.048   5.274  12.044
  348   1HB   CYS  50          2HB       CYS  50   8.297   6.941  10.590
  349   2HB   CYS  50          3HB       CYS  50   8.558   5.781   9.303
  350    H    LYS  51           HN       LYS  51   6.184   4.929  13.202
  351    HA   LYS  51           HA       LYS  51   4.098   3.323  12.084
  352   1HB   LYS  51          2HB       LYS  51   4.992   4.154  14.692
  353   2HB   LYS  51          3HB       LYS  51   3.283   4.504  14.533
  354   1HG   LYS  51          2HG       LYS  51   3.011   2.300  15.089
  355   2HG   LYS  51          3HG       LYS  51   3.356   2.011  13.395
  356   1HD   LYS  51          2HD       LYS  51   4.933   0.597  14.359
  357   2HD   LYS  51          3HD       LYS  51   5.896   2.054  14.212
  358   1HE   LYS  51          2HE       LYS  51   4.799   2.548  16.645
  359   2HE   LYS  51          3HE       LYS  51   4.712   0.798  16.675
  360   1HZ   LYS  51          1HZ       LYS  51   7.040   2.502  16.635
  361   2HZ   LYS  51          2HZ       LYS  51   6.798   1.087  17.412
  362   3HZ   LYS  51          3HZ       LYS  51   7.158   1.092  15.819
  363    H    ARG  52           HN       ARG  52   3.453   4.576  10.226
  364    HA   ARG  52           HA       ARG  52   1.822   6.840  11.045
  365   1HB   ARG  52          2HB       ARG  52   3.784   6.600   8.750
  366   2HB   ARG  52          3HB       ARG  52   2.369   7.609   8.531
  367   1HG   ARG  52          2HG       ARG  52   4.142   7.906  10.985
  368   2HG   ARG  52          3HG       ARG  52   4.537   8.716   9.482
  369   1HD   ARG  52          2HD       ARG  52   2.847  10.255   9.718
  370   2HD   ARG  52          3HD       ARG  52   1.697   9.056  10.276
  371    HE   ARG  52           HE       ARG  52   3.817   9.720  12.216
  372   1HH1  ARG  52          1HH1      ARG  52   1.551  11.308  14.342
  373   2HH1  ARG  52          2HH1      ARG  52   3.160  10.687  14.179
  374   1HH2  ARG  52          1HH2      ARG  52   0.063  11.156  12.568
  375   2HH2  ARG  52          2HH2      ARG  52   0.561  10.423  11.080
  376    H    CYS  53           HN       CYS  53   2.520   4.555   8.291
  377    HA   CYS  53           HA       CYS  53   0.246   4.715   6.902
  378   1HB   CYS  53          2HB       CYS  53   0.549   2.152   6.545
  379   2HB   CYS  53          3HB       CYS  53   1.803   3.253   6.008
  380    H    GLU  54           HN       GLU  54   0.724   2.163   9.460
  381    HA   GLU  54           HA       GLU  54  -0.884   0.935  10.415
  382   1HB   GLU  54          2HB       GLU  54  -1.850   2.194  12.326
  383   2HB   GLU  54          3HB       GLU  54  -0.156   2.577  12.089
  384   1HG   GLU  54          2HG       GLU  54  -0.591   4.758  11.517
  385   2HG   GLU  54          3HG       GLU  54  -1.988   4.332  10.547
  386    H    THR  55           HN       THR  55  -2.023   0.751   8.165
  387    HA   THR  55           HA       THR  55  -4.794   1.027   8.596
  388    HB   THR  55           HB       THR  55  -4.083   3.450   8.076
  389    HG1  THR  55           1HG      THR  55  -5.790   1.828   6.326
  390   1HG2  THR  55          1HG2      THR  55  -3.804   2.269   5.263
  391   2HG2  THR  55          2HG2      THR  55  -3.694   3.989   5.708
  392   3HG2  THR  55          3HG2      THR  55  -2.429   2.851   6.234
  393    H    ALA  56           HN       ALA  56  -2.248   0.913   6.019
  394    HA   ALA  56           HA       ALA  56  -2.182  -0.316   4.149
  395   1HB   ALA  56          1HB       ALA  56  -2.497  -2.138   6.500
  396   2HB   ALA  56          2HB       ALA  56  -2.585  -2.876   4.883
  397   3HB   ALA  56          3HB       ALA  56  -1.137  -1.961   5.366
  398    H    CYS  57           HN       CYS  57  -4.501  -2.664   5.425
  399    HA   CYS  57           HA       CYS  57  -6.804  -1.524   4.320
  400   1HB   CYS  57          2HB       CYS  57  -5.100  -2.709   2.362
  401   2HB   CYS  57          3HB       CYS  57  -6.478  -3.773   2.564
  402    HA   PRO  58           HA       PRO  58  -8.431  -4.970   6.449
  403   1HB   PRO  58          2HB       PRO  58 -10.602  -5.815   5.020
  404   2HB   PRO  58          3HB       PRO  58 -10.626  -4.399   6.051
  405   1HG   PRO  58          2HG       PRO  58 -10.524  -4.542   3.100
  406   2HG   PRO  58          3HG       PRO  58 -10.971  -3.188   4.119
  407   1HD   PRO  58          2HD       PRO  58  -8.484  -3.547   2.736
  408   2HD   PRO  58          3HD       PRO  58  -8.889  -2.253   3.847
  409    H    THR  59           HN       THR  59  -9.695  -7.360   5.867
  410    HA   THR  59           HA       THR  59  -7.369  -8.804   4.875
  411    HB   THR  59           HB       THR  59  -9.972  -9.755   6.181
  412    HG1  THR  59           1HG      THR  59  -8.535  -9.703   8.069
  413   1HG2  THR  59          1HG2      THR  59  -9.054 -11.863   6.223
  414   2HG2  THR  59          2HG2      THR  59  -8.012 -11.282   4.901
  415   3HG2  THR  59          3HG2      THR  59  -7.430 -11.231   6.583
  416    H    ASP  60           HN       ASP  60 -10.246  -7.473   3.632
  417    HA   ASP  60           HA       ASP  60 -11.376  -9.254   2.061
  418   1HB   ASP  60          2HB       ASP  60 -10.953  -6.412   2.002
  419   2HB   ASP  60          3HB       ASP  60 -10.706  -6.992   0.367
  420    H    PHE  61           HN       PHE  61  -8.057  -7.991   1.818
  421    HA   PHE  61           HA       PHE  61  -7.648  -9.679  -0.550
  422   1HB   PHE  61          2HB       PHE  61  -6.831  -6.891   0.269
  423   2HB   PHE  61          3HB       PHE  61  -5.574  -7.830  -0.512
  424    HD1  PHE  61           1HD      PHE  61  -8.377  -5.736  -1.026
  425    HD2  PHE  61           2HD      PHE  61  -6.204  -8.928  -2.785
  426    HE1  PHE  61           1HE      PHE  61  -9.336  -5.152  -3.271
  427    HE2  PHE  61           2HE      PHE  61  -7.163  -8.343  -5.030
  428    HZ   PHE  61           HZ       PHE  61  -8.717  -6.462  -5.246
  429    H    LEU  62           HN       LEU  62  -5.723  -8.011   2.054
  430    HA   LEU  62           HA       LEU  62  -3.558  -9.606   2.068
  431   1HB   LEU  62          2HB       LEU  62  -5.009  -8.355   4.400
  432   2HB   LEU  62          3HB       LEU  62  -3.417  -9.078   4.523
  433    HG   LEU  62           HG       LEU  62  -4.008  -6.845   2.576
  434   1HD1  LEU  62          1HD1      LEU  62  -4.598  -6.214   4.951
  435   2HD1  LEU  62          2HD1      LEU  62  -2.879  -6.450   5.353
  436   3HD1  LEU  62          3HD1      LEU  62  -3.354  -5.213   4.165
  437   1HD2  LEU  62          1HD2      LEU  62  -1.902  -7.126   1.951
  438   2HD2  LEU  62          2HD2      LEU  62  -1.353  -6.833   3.619
  439   3HD2  LEU  62          3HD2      LEU  62  -1.742  -8.487   3.088
  440    H    SER  63           HN       SER  63  -3.162 -11.739   2.294
  441    HA   SER  63           HA       SER  63  -4.931 -13.218   4.046
  442   1HB   SER  63          2HB       SER  63  -4.536 -13.668   1.102
  443   2HB   SER  63          3HB       SER  63  -4.626 -15.093   2.119
  444    HG   SER  63           HG       SER  63  -6.596 -12.967   2.052
  445    H    ILE  64           HN       ILE  64  -2.106 -13.553   1.765
  446    HA   ILE  64           HA       ILE  64  -0.846 -15.637   2.967
  447    HB   ILE  64           HB       ILE  64   0.284 -13.201   1.594
  448   1HG1  ILE  64          2HG1      ILE  64  -1.291 -14.653   0.306
  449   2HG1  ILE  64          3HG1      ILE  64   0.318 -14.539  -0.378
  450   1HG2  ILE  64          1HG2      ILE  64   1.694 -15.791   2.296
  451   2HG2  ILE  64          2HG2      ILE  64   2.342 -14.491   1.268
  452   3HG2  ILE  64          3HG2      ILE  64   2.022 -14.186   2.992
  453   1HD1  ILE  64          1HD1      ILE  64  -1.048 -16.907   0.202
  454   2HD1  ILE  64          2HD1      ILE  64   0.697 -16.767  -0.122
  455   3HD1  ILE  64          3HD1      ILE  64   0.099 -16.753   1.554
  456    H    ARG  65           HN       ARG  65   0.289 -12.234   3.507
  457    HA   ARG  65           HA       ARG  65   1.170 -13.109   6.104
  458   1HB   ARG  65          2HB       ARG  65   1.576 -10.393   4.759
  459   2HB   ARG  65          3HB       ARG  65   2.449 -11.002   6.152
  460   1HG   ARG  65          2HG       ARG  65   3.345 -12.884   4.732
  461   2HG   ARG  65          3HG       ARG  65   2.519 -12.206   3.344
  462   1HD   ARG  65          2HD       ARG  65   3.852  -9.978   4.107
  463   2HD   ARG  65          3HD       ARG  65   4.933 -11.162   4.816
  464    HE   ARG  65           HE       ARG  65   4.620 -10.601   1.992
  465   1HH1  ARG  65          1HH1      ARG  65   6.482 -13.358   0.938
  466   2HH1  ARG  65          2HH1      ARG  65   5.798 -11.837   0.472
  467   1HH2  ARG  65          1HH2      ARG  65   6.204 -14.142   3.105
  468   2HH2  ARG  65          2HH2      ARG  65   5.312 -13.205   4.257
  469    H    VAL  66           HN       VAL  66   0.257 -12.387   8.052
  470    HA   VAL  66           HA       VAL  66  -1.870 -10.377   7.796
  471    HB   VAL  66           HB       VAL  66  -1.842 -12.899   9.464
  472   1HG1  VAL  66          1HG1      VAL  66  -4.406 -11.649   9.415
  473   2HG1  VAL  66          2HG1      VAL  66  -3.338 -11.941  10.809
  474   3HG1  VAL  66          3HG1      VAL  66  -3.207 -10.421   9.892
  475   1HG2  VAL  66          1HG2      VAL  66  -2.838 -13.896   7.738
  476   2HG2  VAL  66          2HG2      VAL  66  -4.133 -12.676   7.773
  477   3HG2  VAL  66          3HG2      VAL  66  -2.682 -12.406   6.778
  478    H    TYR  67           HN       TYR  67   0.907  -9.837   8.323
  479    HA   TYR  67           HA       TYR  67   0.600  -8.755  11.015
  480   1HB   TYR  67          2HB       TYR  67   3.189  -9.476  11.127
  481   2HB   TYR  67          3HB       TYR  67   1.956 -10.657  11.521
  482    HD1  TYR  67           HD1      TYR  67   4.244  -9.504   8.830
  483    HD2  TYR  67           HD2      TYR  67   1.658 -12.624  10.201
  484    HE1  TYR  67           HE1      TYR  67   5.134 -11.049   7.017
  485    HE2  TYR  67           HE2      TYR  67   2.556 -14.158   8.384
  486    HH   TYR  67           HH       TYR  67   5.168 -13.079   6.244
  487    H    LEU  68           HN       LEU  68   2.040  -6.920  11.438
  488    HA   LEU  68           HA       LEU  68   2.220  -5.199   9.269
  489   1HB   LEU  68          2HB       LEU  68   2.975  -5.224  12.102
  490   2HB   LEU  68          3HB       LEU  68   3.998  -4.205  11.110
  491    HG   LEU  68           HG       LEU  68   0.975  -4.014  11.166
  492   1HD1  LEU  68          1HD1      LEU  68   2.890  -2.136  12.556
  493   2HD1  LEU  68          2HD1      LEU  68   1.118  -2.227  12.699
  494   3HD1  LEU  68          3HD1      LEU  68   2.133  -3.525  13.374
  495   1HD2  LEU  68          1HD2      LEU  68   2.964  -1.966  10.172
  496   2HD2  LEU  68          2HD2      LEU  68   2.220  -3.194   9.119
  497   3HD2  LEU  68          3HD2      LEU  68   1.198  -1.997   9.951
  498    H    GLY  69           HN       GLY  69   4.663  -4.002   9.123
  499   1HA   GLY  69          1HA       GLY  69   6.070  -5.428   7.284
  500   2HA   GLY  69          2HA       GLY  69   6.757  -4.180   8.303
  501    H    ALA  70           HN       ALA  70   6.011  -5.894  10.788
  502    HA   ALA  70           HA       ALA  70   6.960  -7.413  12.088
  503   1HB   ALA  70          1HB       ALA  70   8.402  -9.138  10.369
  504   2HB   ALA  70          2HB       ALA  70   6.774  -9.394  11.042
  505   3HB   ALA  70          3HB       ALA  70   6.969  -8.621   9.450
  506    H    GLU  71           HN       GLU  71   9.347  -7.202   9.351
  507    HA   GLU  71           HA       GLU  71  11.419  -6.559   9.283
  508   1HB   GLU  71          2HB       GLU  71  10.645  -4.368  10.032
  509   2HB   GLU  71          3HB       GLU  71  10.652  -4.882  11.708
  510   1HG   GLU  71          2HG       GLU  71  13.266  -5.366  10.484
  511   2HG   GLU  71          3HG       GLU  71  12.794  -3.692  10.270
  512    H    THR  72           HN       THR  72  11.304  -6.279  12.876
  513    HA   THR  72           HA       THR  72  12.735  -7.202  14.363
  514    HB   THR  72           HB       THR  72  12.168  -9.703  14.569
  515    HG1  THR  72           1HG      THR  72  11.485 -10.500  12.623
  516   1HG2  THR  72          1HG2      THR  72   9.478  -8.868  14.075
  517   2HG2  THR  72          2HG2      THR  72  10.315  -8.913  15.646
  518   3HG2  THR  72          3HG2      THR  72  10.342  -7.428  14.665
  519    H    THR  73           HN       THR  73  14.014  -6.621  11.769
  520    HA   THR  73           HA       THR  73  16.067  -8.735  11.867
  521    HB   THR  73           HB       THR  73  14.826  -8.762   9.730
  522    HG1  THR  73           1HG      THR  73  16.816  -8.807   8.729
  523   1HG2  THR  73          1HG2      THR  73  15.492  -6.490   8.349
  524   2HG2  THR  73          2HG2      THR  73  13.916  -6.705   9.149
  525   3HG2  THR  73          3HG2      THR  73  15.211  -5.795   9.963
  526    H    ARG  74           HN       ARG  74  15.301  -5.258  11.836
  527    HA   ARG  74           HA       ARG  74  18.099  -4.639  11.873
  528   1HB   ARG  74          2HB       ARG  74  15.601  -2.884  12.075
  529   2HB   ARG  74          3HB       ARG  74  17.232  -2.245  12.058
  530   1HG   ARG  74          2HG       ARG  74  17.445  -2.529   9.802
  531   2HG   ARG  74          3HG       ARG  74  16.777  -4.148   9.853
  532   1HD   ARG  74          2HD       ARG  74  14.830  -3.358   8.994
  533   2HD   ARG  74          3HD       ARG  74  14.602  -2.379  10.429
  534    HE   ARG  74           HE       ARG  74  16.490  -1.085   8.684
  535   1HH1  ARG  74          1HH1      ARG  74  14.166   1.025   7.159
  536   2HH1  ARG  74          2HH1      ARG  74  15.848   0.727   7.448
  537   1HH2  ARG  74          1HH2      ARG  74  12.566  -0.416   8.024
  538   2HH2  ARG  74          2HH2      ARG  74  13.053  -1.790   8.960
  539    H    SER  75           HN       SER  75  15.408  -5.163  14.080
  540    HA   SER  75           HA       SER  75  17.116  -4.230  16.252
  541   1HB   SER  75          2HB       SER  75  14.311  -3.621  15.623
  542   2HB   SER  75          3HB       SER  75  14.480  -4.272  17.242
  543    HG   SER  75           HG       SER  75  15.735  -2.564  17.864
  544    H    MET  76           HN       MET  76  16.043  -6.906  14.655
  545    HA   MET  76           HA       MET  76  15.978  -9.026  15.144
  546   1HB   MET  76          2HB       MET  76  17.679  -7.999  17.092
  547   2HB   MET  76          3HB       MET  76  16.463  -8.771  18.090
  548   1HG   MET  76          2HG       MET  76  17.147 -10.547  15.889
  549   2HG   MET  76          3HG       MET  76  18.620 -10.023  16.680
  550   1HE   MET  76          1HE       MET  76  19.251 -12.132  17.304
  551   2HE   MET  76          2HE       MET  76  18.661 -13.067  18.699
  552   3HE   MET  76          3HE       MET  76  17.895 -13.270  17.105
  553    H    GLY  77           HN       GLY  77  14.761  -7.296  18.111
  554   1HA   GLY  77          1HA       GLY  77  12.087  -7.636  17.770
  555   2HA   GLY  77          2HA       GLY  77  12.602  -9.175  18.433
  556    H    LEU  78           HN       LEU  78  14.919  -7.847  19.919
  557    HA   LEU  78           HA       LEU  78  13.276  -6.756  22.090
  558   1HB   LEU  78          2HB       LEU  78  14.204  -8.592  23.028
  559   2HB   LEU  78          3HB       LEU  78  15.601  -8.582  21.971
  560    HG   LEU  78           HG       LEU  78  15.961  -8.133  24.469
  561   1HD1  LEU  78          1HD1      LEU  78  17.268  -7.166  22.139
  562   2HD1  LEU  78          2HD1      LEU  78  17.349  -5.889  23.376
  563   3HD1  LEU  78          3HD1      LEU  78  17.961  -7.521  23.740
  564   1HD2  LEU  78          1HD2      LEU  78  15.067  -6.365  25.474
  565   2HD2  LEU  78          2HD2      LEU  78  15.616  -5.267  24.185
  566   3HD2  LEU  78          3HD2      LEU  78  14.069  -6.131  24.018
  567    H    ALA  79           HN       ALA  79  16.403  -6.411  20.304
  568    HA   ALA  79           HA       ALA  79  17.507  -4.283  21.478
  569   1HB   ALA  79          1HB       ALA  79  17.153  -4.415  18.469
  570   2HB   ALA  79          2HB       ALA  79  18.557  -3.831  19.394
  571   3HB   ALA  79          3HB       ALA  79  18.178  -5.570  19.355
  572    H    TYR  80           HN       TYR  80  14.472  -4.340  19.615
  573    HA   TYR  80           HA       TYR  80  14.237  -1.575  19.222
  574   1HB   TYR  80          2HB       TYR  80  12.140  -2.295  18.389
  575   2HB   TYR  80          3HB       TYR  80  12.945  -3.850  18.447
  576    HD1  TYR  80           HD1      TYR  80  12.784  -5.011  20.910
  577    HD2  TYR  80           HD2      TYR  80  10.005  -2.195  19.279
  578    HE1  TYR  80           HE1      TYR  80  10.976  -5.880  22.471
  579    HE2  TYR  80           HE2      TYR  80   8.206  -3.074  20.845
  580    HH   TYR  80           HH       TYR  80   8.314  -5.912  22.300
  Start of MODEL   28
    1    H    SER   1           HN       SER   1  -5.942  -7.939   8.629
    2    HA   SER   1           HA       SER   1  -5.405  -6.810  10.413
    3   1HB   SER   1          2HB       SER   1  -5.387  -9.480  11.076
    4   2HB   SER   1          3HB       SER   1  -3.806  -8.997  11.657
    5    HG   SER   1           HG       SER   1  -5.482  -7.061  12.452
    6    H    HIS   2           HN       HIS   2  -3.981  -5.144   9.922
    7    HA   HIS   2           HA       HIS   2  -2.105  -4.022   9.746
    8   1HB   HIS   2          2HB       HIS   2  -1.333  -6.181  11.663
    9   2HB   HIS   2          3HB       HIS   2  -0.056  -5.174  11.009
   10    HD1  HIS   2           HD1      HIS   2  -1.160  -5.212  14.047
   11    HD2  HIS   2           HD2      HIS   2  -1.964  -2.329  11.108
   12    HE1  HIS   2           HE1      HIS   2  -1.802  -3.081  15.294
   13    H    SER   3           HN       SER   3   0.491  -4.425   9.149
   14    HA   SER   3           HA       SER   3   1.954  -5.278   7.749
   15   1HB   SER   3          2HB       SER   3   1.855  -7.468   7.140
   16   2HB   SER   3          3HB       SER   3   0.402  -7.518   8.117
   17    HG   SER   3           HG       SER   3  -0.890  -7.368   6.303
   18    H    VAL   4           HN       VAL   4   2.325  -5.329   5.269
   19    HA   VAL   4           HA       VAL   4   0.132  -4.136   3.779
   20    HB   VAL   4           HB       VAL   4   1.163  -2.194   4.658
   21   1HG1  VAL   4          1HG1      VAL   4   3.265  -3.247   5.429
   22   2HG1  VAL   4          2HG1      VAL   4   3.847  -3.290   3.747
   23   3HG1  VAL   4          3HG1      VAL   4   3.555  -1.728   4.548
   24   1HG2  VAL   4          1HG2      VAL   4   0.742  -1.511   2.542
   25   2HG2  VAL   4          2HG2      VAL   4   2.517  -1.460   2.421
   26   3HG2  VAL   4          3HG2      VAL   4   1.623  -2.873   1.809
   27    H    LYS   5           HN       LYS   5   3.570  -5.267   3.840
   28    HA   LYS   5           HA       LYS   5   4.809  -6.168   2.206
   29   1HB   LYS   5          2HB       LYS   5   2.998  -7.918   3.228
   30   2HB   LYS   5          3HB       LYS   5   2.635  -8.065   1.521
   31   1HG   LYS   5          2HG       LYS   5   4.347  -9.662   1.828
   32   2HG   LYS   5          3HG       LYS   5   5.217  -8.286   1.179
   33   1HD   LYS   5          2HD       LYS   5   6.169  -7.721   3.267
   34   2HD   LYS   5          3HD       LYS   5   4.911  -8.531   4.179
   35   1HE   LYS   5          2HE       LYS   5   6.903  -9.902   4.341
   36   2HE   LYS   5          3HE       LYS   5   5.778 -10.751   3.299
   37   1HZ   LYS   5          1HZ       LYS   5   7.132  -9.234   1.568
   38   2HZ   LYS   5          2HZ       LYS   5   8.298  -9.585   2.656
   39   3HZ   LYS   5          3HZ       LYS   5   7.488 -10.791   1.909
   40    H    ILE   6           HN       ILE   6   3.994  -7.554  -0.214
   41    HA   ILE   6           HA       ILE   6   3.113  -5.215  -1.758
   42    HB   ILE   6           HB       ILE   6   5.072  -7.415  -2.384
   43   1HG1  ILE   6          2HG1      ILE   6   6.323  -5.139  -3.033
   44   2HG1  ILE   6          3HG1      ILE   6   5.224  -4.483  -1.836
   45   1HG2  ILE   6          1HG2      ILE   6   5.190  -6.717  -4.644
   46   2HG2  ILE   6          2HG2      ILE   6   3.466  -6.979  -4.288
   47   3HG2  ILE   6          3HG2      ILE   6   4.120  -5.325  -4.351
   48   1HD1  ILE   6          1HD1      ILE   6   6.482  -5.332  -0.158
   49   2HD1  ILE   6          2HD1      ILE   6   6.319  -6.972  -0.829
   50   3HD1  ILE   6          3HD1      ILE   6   7.644  -5.917  -1.372
   51    H    TYR   7           HN       TYR   7   0.938  -5.474  -2.046
   52    HA   TYR   7           HA       TYR   7   0.134  -7.926  -3.411
   53   1HB   TYR   7          2HB       TYR   7  -1.244  -6.574  -1.007
   54   2HB   TYR   7          3HB       TYR   7  -1.858  -7.989  -1.839
   55    HD1  TYR   7           HD1      TYR   7  -0.837  -7.340   1.175
   56    HD2  TYR   7           HD2      TYR   7   0.652  -9.590  -2.146
   57    HE1  TYR   7           HE1      TYR   7   0.456  -8.844   2.765
   58    HE2  TYR   7           HE2      TYR   7   1.941 -11.087  -0.544
   59    HH   TYR   7           HH       TYR   7   1.368 -11.597   2.297
   60    H    ASP   8           HN       ASP   8  -1.735  -7.673  -4.759
   61    HA   ASP   8           HA       ASP   8  -2.072  -4.941  -5.554
   62   1HB   ASP   8          2HB       ASP   8  -3.584  -6.091  -7.332
   63   2HB   ASP   8          3HB       ASP   8  -1.860  -6.400  -7.402
   64    H    THR   9           HN       THR   9  -3.124  -5.314  -2.981
   65    HA   THR   9           HA       THR   9  -5.989  -5.803  -3.319
   66    HB   THR   9           HB       THR   9  -4.913  -7.000  -1.482
   67    HG1  THR   9           1HG      THR   9  -6.056  -5.723   0.297
   68   1HG2  THR   9          1HG2      THR   9  -3.965  -4.232  -0.569
   69   2HG2  THR   9          2HG2      THR   9  -3.817  -5.731   0.379
   70   3HG2  THR   9          3HG2      THR   9  -2.910  -5.546  -1.141
   71    H    CYS  10           HN       CYS  10  -6.640  -3.969  -4.486
   72    HA   CYS  10           HA       CYS  10  -6.962  -1.676  -2.782
   73   1HB   CYS  10          2HB       CYS  10  -4.743  -1.321  -3.955
   74   2HB   CYS  10          3HB       CYS  10  -5.620  -1.275  -5.471
   75    H    ILE  11           HN       ILE  11  -8.848  -0.486  -3.406
   76    HA   ILE  11           HA       ILE  11 -10.276  -1.649  -5.697
   77    HB   ILE  11           HB       ILE  11 -12.346  -1.189  -4.473
   78   1HG1  ILE  11          2HG1      ILE  11 -11.614  -0.948  -1.815
   79   2HG1  ILE  11          3HG1      ILE  11 -10.502   0.141  -2.619
   80   1HG2  ILE  11          1HG2      ILE  11 -11.711  -3.411  -4.305
   81   2HG2  ILE  11          2HG2      ILE  11 -10.276  -3.039  -3.319
   82   3HG2  ILE  11          3HG2      ILE  11 -11.901  -2.933  -2.601
   83   1HD1  ILE  11          1HD1      ILE  11 -12.554   1.076  -3.888
   84   2HD1  ILE  11          2HD1      ILE  11 -13.541   0.177  -2.712
   85   3HD1  ILE  11          3HD1      ILE  11 -12.441   1.460  -2.154
   86    H    GLY  12           HN       GLY  12  -9.403   1.263  -3.804
   87   1HA   GLY  12          1HA       GLY  12  -8.864   3.149  -5.355
   88   2HA   GLY  12          2HA       GLY  12 -10.473   2.917  -6.010
   89    H    CYS  13           HN       CYS  13  -9.278   2.792  -2.583
   90    HA   CYS  13           HA       CYS  13 -11.345   4.757  -1.956
   91   1HB   CYS  13          2HB       CYS  13 -11.663   3.734   0.043
   92   2HB   CYS  13          3HB       CYS  13 -10.999   2.353  -0.808
   93    H    THR  14           HN       THR  14 -10.391   5.881   0.371
   94    HA   THR  14           HA       THR  14  -7.790   7.011  -0.432
   95    HB   THR  14           HB       THR  14  -8.679   9.147   0.562
   96    HG1  THR  14           1HG      THR  14 -10.911   9.051   1.250
   97   1HG2  THR  14          1HG2      THR  14 -10.055   7.756  -1.724
   98   2HG2  THR  14          2HG2      THR  14 -10.881   9.179  -1.044
   99   3HG2  THR  14          3HG2      THR  14  -9.231   9.335  -1.695
  100    H    GLN  15           HN       GLN  15  -7.064   5.027   0.854
  101    HA   GLN  15           HA       GLN  15  -6.454   6.009   3.459
  102   1HB   GLN  15          2HB       GLN  15  -8.188   4.924   4.465
  103   2HB   GLN  15          3HB       GLN  15  -8.503   3.919   3.064
  104   1HG   GLN  15          2HG       GLN  15  -6.469   2.525   3.675
  105   2HG   GLN  15          3HG       GLN  15  -6.305   3.477   5.138
  106   1HE2  GLN  15          1HE2      GLN  15  -6.567   0.880   5.471
  107   2HE2  GLN  15          2HE2      GLN  15  -8.132   0.425   6.061
  108    H    CYS  16           HN       CYS  16  -4.442   5.238   4.154
  109    HA   CYS  16           HA       CYS  16  -2.691   3.831   4.251
  110   1HB   CYS  16          2HB       CYS  16  -2.652   1.766   3.319
  111   2HB   CYS  16          3HB       CYS  16  -4.353   2.086   3.051
  112    H    VAL  17           HN       VAL  17  -3.909   5.078   1.100
  113    HA   VAL  17           HA       VAL  17  -1.211   5.578   0.180
  114    HB   VAL  17           HB       VAL  17  -3.835   6.348  -1.098
  115   1HG1  VAL  17          1HG1      VAL  17  -1.113   6.774  -1.805
  116   2HG1  VAL  17          2HG1      VAL  17  -1.774   5.568  -2.934
  117   3HG1  VAL  17          3HG1      VAL  17  -2.573   7.148  -2.751
  118   1HG2  VAL  17          1HG2      VAL  17  -3.335   4.154  -2.444
  119   2HG2  VAL  17          2HG2      VAL  17  -2.432   3.691  -0.981
  120   3HG2  VAL  17          3HG2      VAL  17  -4.168   4.065  -0.874
  121    H    ARG  18           HN       ARG  18  -2.735   6.912   2.611
  122    HA   ARG  18           HA       ARG  18  -2.060   9.607   1.745
  123   1HB   ARG  18          2HB       ARG  18  -4.544   8.573   2.917
  124   2HB   ARG  18          3HB       ARG  18  -3.864   9.825   3.937
  125   1HG   ARG  18          2HG       ARG  18  -5.197  11.051   2.419
  126   2HG   ARG  18          3HG       ARG  18  -3.589  11.214   1.742
  127   1HD   ARG  18          2HD       ARG  18  -4.517   8.836   0.579
  128   2HD   ARG  18          3HD       ARG  18  -5.958   9.832   0.633
  129    HE   ARG  18           HE       ARG  18  -3.554  11.207  -0.377
  130   1HH1  ARG  18          1HH1      ARG  18  -4.857  11.387  -3.610
  131   2HH1  ARG  18          2HH1      ARG  18  -3.609  11.937  -2.542
  132   1HH2  ARG  18          1HH2      ARG  18  -6.474   9.911  -2.840
  133   2HH2  ARG  18          2HH2      ARG  18  -6.433   9.358  -1.200
  134    H    ALA  19           HN       ALA  19  -2.299   7.206   4.426
  135    HA   ALA  19           HA       ALA  19  -0.698   8.894   6.155
  136   1HB   ALA  19          1HB       ALA  19  -2.233   7.846   7.488
  137   2HB   ALA  19          2HB       ALA  19  -2.390   6.451   6.393
  138   3HB   ALA  19          3HB       ALA  19  -1.002   6.560   7.502
  139    H    CYS  20           HN       CYS  20   1.298   9.008   4.993
  140    HA   CYS  20           HA       CYS  20   3.110   7.018   5.648
  141   1HB   CYS  20          2HB       CYS  20   1.975   5.670   3.918
  142   2HB   CYS  20          3HB       CYS  20   2.286   6.916   2.726
  143    HA   PRO  21           HA       PRO  21   4.707  11.078   4.528
  144   1HB   PRO  21          2HB       PRO  21   6.264  11.440   6.744
  145   2HB   PRO  21          3HB       PRO  21   4.606  11.997   6.637
  146   1HG   PRO  21          2HG       PRO  21   5.689   9.675   8.112
  147   2HG   PRO  21          3HG       PRO  21   4.152  10.491   8.324
  148   1HD   PRO  21          2HD       PRO  21   4.595   7.977   7.015
  149   2HD   PRO  21          3HD       PRO  21   3.079   8.848   7.125
  150    H    LEU  22           HN       LEU  22   6.464   8.330   5.796
  151    HA   LEU  22           HA       LEU  22   8.953   9.108   4.793
  152   1HB   LEU  22          2HB       LEU  22   7.798   6.914   6.181
  153   2HB   LEU  22          3HB       LEU  22   8.680   6.264   4.814
  154    HG   LEU  22           HG       LEU  22  10.053   6.346   6.837
  155   1HD1  LEU  22          1HD1      LEU  22  11.673   8.278   5.559
  156   2HD1  LEU  22          2HD1      LEU  22  11.742   6.505   5.410
  157   3HD1  LEU  22          3HD1      LEU  22  10.746   7.456   4.281
  158   1HD2  LEU  22          1HD2      LEU  22  10.030   8.049   8.257
  159   2HD2  LEU  22          2HD2      LEU  22  10.592   9.165   6.989
  160   3HD2  LEU  22          3HD2      LEU  22   8.851   8.874   7.209
  161    H    ASP  23           HN       ASP  23   7.226   6.223   3.501
  162    HA   ASP  23           HA       ASP  23   6.491   6.956   1.098
  163   1HB   ASP  23          2HB       ASP  23   9.425   7.174   1.269
  164   2HB   ASP  23          3HB       ASP  23   8.935   6.082  -0.011
  165    H    VAL  24           HN       VAL  24   5.273   5.017   1.225
  166    HA   VAL  24           HA       VAL  24   6.789   2.563   0.813
  167    HB   VAL  24           HB       VAL  24   4.870   3.119   3.066
  168   1HG1  VAL  24          1HG1      VAL  24   5.647   0.400   1.957
  169   2HG1  VAL  24          2HG1      VAL  24   4.805   0.680   3.500
  170   3HG1  VAL  24          3HG1      VAL  24   4.020   1.122   1.964
  171   1HG2  VAL  24          1HG2      VAL  24   6.828   1.603   4.120
  172   2HG2  VAL  24          2HG2      VAL  24   7.733   2.349   2.781
  173   3HG2  VAL  24          3HG2      VAL  24   6.933   3.376   3.995
  174    H    LEU  25           HN       LEU  25   3.322   3.240   1.592
  175    HA   LEU  25           HA       LEU  25   2.441   1.707  -0.594
  176   1HB   LEU  25          2HB       LEU  25   0.821   3.774   0.874
  177   2HB   LEU  25          3HB       LEU  25   0.264   2.315   0.079
  178    HG   LEU  25           HG       LEU  25   2.055   1.392   2.019
  179   1HD1  LEU  25          1HD1      LEU  25   0.520   2.645   3.958
  180   2HD1  LEU  25          2HD1      LEU  25   2.229   2.973   3.579
  181   3HD1  LEU  25          3HD1      LEU  25   0.947   3.961   2.838
  182   1HD2  LEU  25          1HD2      LEU  25  -0.123   0.421   1.228
  183   2HD2  LEU  25          2HD2      LEU  25   0.146   0.346   2.986
  184   3HD2  LEU  25          3HD2      LEU  25  -0.951   1.571   2.306
  185    H    GLU  26           HN       GLU  26   3.840   2.684  -2.296
  186    HA   GLU  26           HA       GLU  26   2.823   5.265  -3.159
  187   1HB   GLU  26          2HB       GLU  26   5.333   3.711  -3.917
  188   2HB   GLU  26          3HB       GLU  26   4.849   5.196  -4.711
  189   1HG   GLU  26          2HG       GLU  26   4.751   5.547  -1.814
  190   2HG   GLU  26          3HG       GLU  26   6.323   4.932  -2.285
  191    H    MET  27           HN       MET  27   3.260   5.241  -5.877
  192    HA   MET  27           HA       MET  27   1.151   3.516  -6.710
  193   1HB   MET  27          2HB       MET  27   1.504   4.731  -8.911
  194   2HB   MET  27          3HB       MET  27   1.285   5.829  -7.563
  195   1HG   MET  27          2HG       MET  27   3.265   6.803  -8.097
  196   2HG   MET  27          3HG       MET  27   4.078   5.321  -7.636
  197   1HE   MET  27          1HE       MET  27   3.157   7.712 -10.404
  198   2HE   MET  27          2HE       MET  27   4.863   7.549  -9.922
  199   3HE   MET  27          3HE       MET  27   4.360   7.121 -11.576
  200    H    VAL  28           HN       VAL  28   1.341   1.544  -7.701
  201    HA   VAL  28           HA       VAL  28   3.971   0.892  -8.833
  202    HB   VAL  28           HB       VAL  28   3.935  -1.230  -7.871
  203   1HG1  VAL  28          1HG1      VAL  28   3.903  -0.841  -5.512
  204   2HG1  VAL  28          2HG1      VAL  28   4.408   0.679  -6.288
  205   3HG1  VAL  28          3HG1      VAL  28   2.744   0.498  -5.684
  206   1HG2  VAL  28          1HG2      VAL  28   2.051  -2.410  -7.725
  207   2HG2  VAL  28          2HG2      VAL  28   1.543  -1.408  -6.344
  208   3HG2  VAL  28          3HG2      VAL  28   1.083  -0.941  -7.999
  209    HA   PRO  29           HA       PRO  29   1.762  -0.468 -12.289
  210   1HB   PRO  29          2HB       PRO  29   3.146  -2.654 -13.169
  211   2HB   PRO  29          3HB       PRO  29   3.674  -1.007 -13.452
  212   1HG   PRO  29          2HG       PRO  29   4.735  -2.990 -11.533
  213   2HG   PRO  29          3HG       PRO  29   5.492  -1.526 -12.130
  214   1HD   PRO  29          2HD       PRO  29   4.273  -1.904  -9.561
  215   2HD   PRO  29          3HD       PRO  29   4.925  -0.409 -10.202
  216    H    TRP  30           HN       TRP  30  -0.300  -1.081 -12.237
  217    HA   TRP  30           HA       TRP  30  -0.704  -3.873 -11.454
  218   1HB   TRP  30          2HB       TRP  30  -1.183  -2.581  -9.472
  219   2HB   TRP  30          3HB       TRP  30  -2.223  -1.496 -10.374
  220    HD1  TRP  30           HD1      TRP  30  -4.736  -2.065 -10.005
  221    HE1  TRP  30           HE1      TRP  30  -6.244  -4.169  -9.494
  222    HE3  TRP  30           HE3      TRP  30  -0.935  -5.441 -10.002
  223    HZ2  TRP  30           HZ2      TRP  30  -5.690  -6.949  -9.155
  224    HZ3  TRP  30           HZ3      TRP  30  -1.504  -7.831  -9.573
  225    HH2  TRP  30           HH2      TRP  30  -3.786  -8.602  -9.159
  226    H    ASP  31           HN       ASP  31  -3.151  -4.428 -12.085
  227    HA   ASP  31           HA       ASP  31  -3.812  -2.957 -14.502
  228   1HB   ASP  31          2HB       ASP  31  -2.545  -5.324 -14.714
  229   2HB   ASP  31          3HB       ASP  31  -4.156  -5.956 -14.437
  230    H    GLY  32           HN       GLY  32  -5.254  -2.243 -12.431
  231   1HA   GLY  32          1HA       GLY  32  -7.807  -3.594 -12.739
  232   2HA   GLY  32          2HA       GLY  32  -7.100  -3.679 -11.137
  233    H    CYS  33           HN       CYS  33  -5.713  -1.044 -11.327
  234    HA   CYS  33           HA       CYS  33  -7.888   0.535 -10.439
  235   1HB   CYS  33          2HB       CYS  33  -5.078   0.554 -10.137
  236   2HB   CYS  33          3HB       CYS  33  -5.482   2.073 -10.913
  237    HG   CYS  33           HG       CYS  33  -6.899   3.088  -9.198
  238    H    LYS  34           HN       LYS  34  -8.242   2.829 -11.376
  239    HA   LYS  34           HA       LYS  34  -8.959   2.603 -14.065
  240   1HB   LYS  34          2HB       LYS  34  -9.371   4.401 -11.914
  241   2HB   LYS  34          3HB       LYS  34  -8.713   5.353 -13.230
  242   1HG   LYS  34          2HG       LYS  34 -10.963   3.361 -13.707
  243   2HG   LYS  34          3HG       LYS  34 -11.298   4.989 -13.150
  244   1HD   LYS  34          2HD       LYS  34  -9.590   4.456 -15.616
  245   2HD   LYS  34          3HD       LYS  34 -11.335   4.580 -15.712
  246   1HE   LYS  34          2HE       LYS  34 -10.229   6.803 -14.152
  247   2HE   LYS  34          3HE       LYS  34  -9.469   6.719 -15.729
  248   1HZ   LYS  34          1HZ       LYS  34 -12.045   6.320 -16.309
  249   2HZ   LYS  34          2HZ       LYS  34 -12.164   7.366 -15.061
  250   3HZ   LYS  34          3HZ       LYS  34 -11.294   7.768 -16.383
  251    H    ALA  35           HN       ALA  35  -5.935   3.379 -12.494
  252    HA   ALA  35           HA       ALA  35  -4.885   4.283 -15.089
  253   1HB   ALA  35          1HB       ALA  35  -3.051   5.018 -13.119
  254   2HB   ALA  35          2HB       ALA  35  -4.231   6.091 -13.909
  255   3HB   ALA  35          3HB       ALA  35  -4.631   5.319 -12.357
  256    H    GLY  36           HN       GLY  36  -5.368   1.500 -13.829
  257   1HA   GLY  36          1HA       GLY  36  -4.257  -0.443 -13.535
  258   2HA   GLY  36          2HA       GLY  36  -3.286   0.117 -14.882
  259    H    GLN  37           HN       GLN  37  -3.599   1.139 -11.400
  260    HA   GLN  37           HA       GLN  37  -0.901   0.293 -10.952
  261   1HB   GLN  37          2HB       GLN  37  -0.216   2.577 -10.083
  262   2HB   GLN  37          3HB       GLN  37  -0.398   2.481 -11.823
  263   1HG   GLN  37          2HG       GLN  37  -1.836   4.229 -11.698
  264   2HG   GLN  37          3HG       GLN  37  -2.979   3.161 -10.908
  265   1HE2  GLN  37          1HE2      GLN  37  -3.567   3.551  -8.898
  266   2HE2  GLN  37          2HE2      GLN  37  -2.829   4.672  -7.803
  267    H    ILE  38           HN       ILE  38  -0.873  -0.647  -8.955
  268    HA   ILE  38           HA       ILE  38  -3.043   0.070  -7.135
  269    HB   ILE  38           HB       ILE  38  -2.499  -2.318  -7.983
  270   1HG1  ILE  38          2HG1      ILE  38  -2.792  -2.753  -5.179
  271   2HG1  ILE  38          3HG1      ILE  38  -3.622  -1.258  -5.567
  272   1HG2  ILE  38          1HG2      ILE  38  -0.192  -2.520  -7.584
  273   2HG2  ILE  38          2HG2      ILE  38  -0.330  -1.879  -5.929
  274   3HG2  ILE  38          3HG2      ILE  38  -0.968  -3.496  -6.314
  275   1HD1  ILE  38          1HD1      ILE  38  -4.991  -3.425  -5.813
  276   2HD1  ILE  38          2HD1      ILE  38  -5.015  -2.320  -7.208
  277   3HD1  ILE  38          3HD1      ILE  38  -3.989  -3.775  -7.241
  278    H    ALA  39           HN       ALA  39  -2.686   0.976  -5.131
  279    HA   ALA  39           HA       ALA  39  -0.151   2.218  -4.755
  280   1HB   ALA  39          1HB       ALA  39  -2.852   2.220  -3.494
  281   2HB   ALA  39          2HB       ALA  39  -1.489   2.665  -2.441
  282   3HB   ALA  39          3HB       ALA  39  -1.794   3.581  -3.936
  283    H    SER  40           HN       SER  40   1.589   0.991  -4.182
  284    HA   SER  40           HA       SER  40   1.410  -0.403  -1.710
  285   1HB   SER  40          2HB       SER  40   1.633  -1.876  -4.331
  286   2HB   SER  40          3HB       SER  40   2.544  -2.484  -2.963
  287    HG   SER  40           HG       SER  40  -0.127  -1.835  -2.363
  288    H    SER  41           HN       SER  41   3.793  -1.699  -1.559
  289    HA   SER  41           HA       SER  41   5.619   0.455  -1.770
  290   1HB   SER  41          2HB       SER  41   7.234  -1.449  -0.922
  291   2HB   SER  41          3HB       SER  41   5.997  -0.818   0.147
  292    HG   SER  41           HG       SER  41   4.742  -2.645  -0.141
  293    HA   PRO  42           HA       PRO  42   7.004  -0.806  -5.749
  294   1HB   PRO  42          2HB       PRO  42   8.707   1.281  -6.209
  295   2HB   PRO  42          3HB       PRO  42   6.988   1.355  -6.544
  296   1HG   PRO  42          2HG       PRO  42   8.496   2.587  -4.321
  297   2HG   PRO  42          3HG       PRO  42   6.894   2.982  -4.914
  298   1HD   PRO  42          2HD       PRO  42   7.530   1.492  -2.546
  299   2HD   PRO  42          3HD       PRO  42   5.932   1.788  -3.201
  300    H    ARG  43           HN       ARG  43   9.469   0.488  -3.566
  301    HA   ARG  43           HA       ARG  43  10.853  -2.007  -3.908
  302   1HB   ARG  43          2HB       ARG  43  12.125   0.705  -4.539
  303   2HB   ARG  43          3HB       ARG  43  13.038  -0.781  -4.359
  304   1HG   ARG  43          2HG       ARG  43  11.705  -1.808  -6.226
  305   2HG   ARG  43          3HG       ARG  43  10.832  -0.300  -6.420
  306   1HD   ARG  43          2HD       ARG  43  13.083   0.854  -6.820
  307   2HD   ARG  43          3HD       ARG  43  13.829  -0.732  -6.826
  308    HE   ARG  43           HE       ARG  43  11.825  -1.066  -8.664
  309   1HH1  ARG  43          1HH1      ARG  43  13.016   0.632 -11.470
  310   2HH1  ARG  43          2HH1      ARG  43  11.934  -0.594 -10.897
  311   1HH2  ARG  43          1HH2      ARG  43  14.352   1.795  -9.970
  312   2HH2  ARG  43          2HH2      ARG  43  14.269   1.436  -8.278
  313    H    THR  44           HN       THR  44   9.420  -0.063  -1.861
  314    HA   THR  44           HA       THR  44   9.787   0.812   0.187
  315    HB   THR  44           HB       THR  44  11.103  -1.951   0.308
  316    HG1  THR  44           1HG      THR  44   8.912  -2.511   0.713
  317   1HG2  THR  44          1HG2      THR  44   9.769  -1.443   2.715
  318   2HG2  THR  44          2HG2      THR  44  11.536  -1.415   2.501
  319   3HG2  THR  44          3HG2      THR  44  10.601   0.097   2.393
  320    H    GLU  45           HN       GLU  45  11.875   1.516  -1.855
  321    HA   GLU  45           HA       GLU  45  14.386   1.389  -0.812
  322   1HB   GLU  45          2HB       GLU  45  14.840   3.438  -2.185
  323   2HB   GLU  45          3HB       GLU  45  13.970   2.198  -3.066
  324   1HG   GLU  45          2HG       GLU  45  11.888   3.376  -2.910
  325   2HG   GLU  45          3HG       GLU  45  12.467   4.407  -1.617
  326    H    ASP  46           HN       ASP  46  11.653   3.517   0.053
  327    HA   ASP  46           HA       ASP  46  13.393   4.999   1.825
  328   1HB   ASP  46          2HB       ASP  46  11.114   5.656   0.288
  329   2HB   ASP  46          3HB       ASP  46  10.524   5.644   1.938
  330    H    CYS  47           HN       CYS  47  11.212   5.649   3.732
  331    HA   CYS  47           HA       CYS  47  10.129   4.878   5.490
  332   1HB   CYS  47          2HB       CYS  47   9.001   3.250   4.018
  333   2HB   CYS  47          3HB       CYS  47  10.318   2.116   4.242
  334    H    VAL  48           HN       VAL  48  10.995   4.579   7.552
  335    HA   VAL  48           HA       VAL  48  13.367   2.884   7.767
  336    HB   VAL  48           HB       VAL  48  14.409   4.656   9.186
  337   1HG1  VAL  48          1HG1      VAL  48  15.011   6.145   7.167
  338   2HG1  VAL  48          2HG1      VAL  48  15.359   4.403   7.053
  339   3HG1  VAL  48          3HG1      VAL  48  13.932   5.081   6.234
  340   1HG2  VAL  48          1HG2      VAL  48  12.440   5.984   9.715
  341   2HG2  VAL  48          2HG2      VAL  48  13.642   6.994   8.877
  342   3HG2  VAL  48          3HG2      VAL  48  12.217   6.391   7.996
  343    H    GLY  49           HN       GLY  49  10.519   2.482   8.425
  344   1HA   GLY  49          1HA       GLY  49   9.522   1.367  10.145
  345   2HA   GLY  49          2HA       GLY  49  10.884   1.726  11.187
  346    H    CYS  50           HN       CYS  50   8.141   3.400   9.489
  347    HA   CYS  50           HA       CYS  50   7.978   5.153  11.832
  348   1HB   CYS  50          2HB       CYS  50   7.856   6.922  10.479
  349   2HB   CYS  50          3HB       CYS  50   8.264   5.868   9.140
  350    H    LYS  51           HN       LYS  51   5.821   5.547  12.685
  351    HA   LYS  51           HA       LYS  51   3.948   3.429  11.928
  352   1HB   LYS  51          2HB       LYS  51   4.733   4.712  14.460
  353   2HB   LYS  51          3HB       LYS  51   3.000   4.537  14.264
  354   1HG   LYS  51          2HG       LYS  51   3.740   2.072  13.414
  355   2HG   LYS  51          3HG       LYS  51   5.120   2.408  14.440
  356   1HD   LYS  51          2HD       LYS  51   2.707   3.207  15.840
  357   2HD   LYS  51          3HD       LYS  51   2.492   1.575  15.238
  358   1HE   LYS  51          2HE       LYS  51   5.069   1.422  16.215
  359   2HE   LYS  51          3HE       LYS  51   4.377   2.598  17.314
  360   1HZ   LYS  51          1HZ       LYS  51   3.602  -0.167  16.891
  361   2HZ   LYS  51          2HZ       LYS  51   3.796   0.651  18.291
  362   3HZ   LYS  51          3HZ       LYS  51   2.458   0.889  17.385
  363    H    ARG  52           HN       ARG  52   2.828   4.245  10.172
  364    HA   ARG  52           HA       ARG  52   1.159   6.499  10.828
  365   1HB   ARG  52          2HB       ARG  52   3.287   6.491   8.745
  366   2HB   ARG  52          3HB       ARG  52   1.726   7.022   8.151
  367   1HG   ARG  52          2HG       ARG  52   2.993   8.146  10.689
  368   2HG   ARG  52          3HG       ARG  52   3.248   8.857   9.108
  369   1HD   ARG  52          2HD       ARG  52   0.876   9.346   8.848
  370   2HD   ARG  52          3HD       ARG  52   0.459   8.384  10.252
  371    HE   ARG  52           HE       ARG  52   1.163  10.139  11.666
  372   1HH1  ARG  52          1HH1      ARG  52   2.365  13.301  10.809
  373   2HH1  ARG  52          2HH1      ARG  52   1.759  12.304  12.089
  374   1HH2  ARG  52          1HH2      ARG  52   2.572  12.438   8.664
  375   2HH2  ARG  52          2HH2      ARG  52   2.122  10.797   8.345
  376    H    CYS  53           HN       CYS  53   2.085   4.319   8.051
  377    HA   CYS  53           HA       CYS  53  -0.234   4.168   6.744
  378   1HB   CYS  53          2HB       CYS  53   0.402   1.712   6.281
  379   2HB   CYS  53          3HB       CYS  53   1.535   2.964   5.814
  380    H    GLU  54           HN       GLU  54   0.506   1.277   8.750
  381    HA   GLU  54           HA       GLU  54  -0.919  -0.079   9.750
  382   1HB   GLU  54          2HB       GLU  54  -0.269   2.118  11.327
  383   2HB   GLU  54          3HB       GLU  54  -2.009   2.031  11.519
  384   1HG   GLU  54          2HG       GLU  54  -1.788   0.272  12.928
  385   2HG   GLU  54          3HG       GLU  54  -1.006  -0.661  11.667
  386    H    THR  55           HN       THR  55  -2.113   0.940   7.358
  387    HA   THR  55           HA       THR  55  -4.840   0.388   7.921
  388    HB   THR  55           HB       THR  55  -4.688   2.792   8.679
  389    HG1  THR  55           1HG      THR  55  -6.699   2.771   7.761
  390   1HG2  THR  55          1HG2      THR  55  -3.495   4.279   7.418
  391   2HG2  THR  55          2HG2      THR  55  -3.230   3.049   6.160
  392   3HG2  THR  55          3HG2      THR  55  -4.693   4.062   6.120
  393    H    ALA  56           HN       ALA  56  -2.994  -0.967   6.402
  394    HA   ALA  56           HA       ALA  56  -3.303  -0.085   3.664
  395   1HB   ALA  56          1HB       ALA  56  -1.165  -0.980   4.235
  396   2HB   ALA  56          2HB       ALA  56  -1.889  -2.393   5.041
  397   3HB   ALA  56          3HB       ALA  56  -1.976  -2.238   3.271
  398    H    CYS  57           HN       CYS  57  -5.795  -0.205   4.148
  399    HA   CYS  57           HA       CYS  57  -7.666  -1.139   3.441
  400   1HB   CYS  57          2HB       CYS  57  -5.739  -2.758   2.085
  401   2HB   CYS  57          3HB       CYS  57  -6.980  -3.826   2.709
  402    HA   PRO  58           HA       PRO  58  -8.872  -3.640   6.808
  403   1HB   PRO  58          2HB       PRO  58 -10.896  -5.231   5.891
  404   2HB   PRO  58          3HB       PRO  58 -11.115  -3.539   6.292
  405   1HG   PRO  58          2HG       PRO  58 -10.946  -4.804   3.626
  406   2HG   PRO  58          3HG       PRO  58 -11.576  -3.226   4.054
  407   1HD   PRO  58          2HD       PRO  58  -9.040  -3.790   2.837
  408   2HD   PRO  58          3HD       PRO  58  -9.623  -2.226   3.372
  409    H    THR  59           HN       THR  59  -9.856  -6.225   7.178
  410    HA   THR  59           HA       THR  59  -7.333  -7.623   6.899
  411    HB   THR  59           HB       THR  59  -9.988  -8.384   8.227
  412    HG1  THR  59           1HG      THR  59  -8.714  -6.398   8.932
  413   1HG2  THR  59          1HG2      THR  59  -8.947 -10.284   8.965
  414   2HG2  THR  59          2HG2      THR  59  -7.702  -9.978   7.732
  415   3HG2  THR  59          3HG2      THR  59  -7.477  -9.376   9.392
  416    H    ASP  60           HN       ASP  60 -10.054  -7.141   4.957
  417    HA   ASP  60           HA       ASP  60 -10.761  -9.555   4.042
  418   1HB   ASP  60          2HB       ASP  60 -10.722  -6.824   3.041
  419   2HB   ASP  60          3HB       ASP  60 -10.359  -7.918   1.721
  420    H    PHE  61           HN       PHE  61  -7.673  -7.862   3.699
  421    HA   PHE  61           HA       PHE  61  -6.703 -10.076   2.036
  422   1HB   PHE  61          2HB       PHE  61  -6.761  -7.153   1.646
  423   2HB   PHE  61          3HB       PHE  61  -5.101  -7.710   1.684
  424    HD1  PHE  61           1HD      PHE  61  -8.188  -7.642  -0.208
  425    HD2  PHE  61           2HD      PHE  61  -4.316  -9.366   0.007
  426    HE1  PHE  61           1HE      PHE  61  -8.376  -8.364  -2.604
  427    HE2  PHE  61           2HE      PHE  61  -4.504 -10.089  -2.389
  428    HZ   PHE  61           HZ       PHE  61  -6.532  -9.579  -3.666
  429    H    LEU  62           HN       LEU  62  -5.861  -7.423   4.356
  430    HA   LEU  62           HA       LEU  62  -3.284  -8.266   4.907
  431   1HB   LEU  62          2HB       LEU  62  -5.262  -6.886   6.728
  432   2HB   LEU  62          3HB       LEU  62  -3.529  -6.969   6.974
  433    HG   LEU  62           HG       LEU  62  -5.025  -5.488   4.805
  434   1HD1  LEU  62          1HD1      LEU  62  -2.946  -4.166   6.440
  435   2HD1  LEU  62          2HD1      LEU  62  -4.545  -3.589   5.914
  436   3HD1  LEU  62          3HD1      LEU  62  -4.409  -4.679   7.314
  437   1HD2  LEU  62          1HD2      LEU  62  -2.893  -4.851   3.829
  438   2HD2  LEU  62          2HD2      LEU  62  -2.025  -5.865   5.006
  439   3HD2  LEU  62          3HD2      LEU  62  -3.089  -6.620   3.795
  440    H    SER  63           HN       SER  63  -2.593 -10.213   5.594
  441    HA   SER  63           HA       SER  63  -3.235 -11.295   7.967
  442   1HB   SER  63          2HB       SER  63  -4.657 -13.322   7.186
  443   2HB   SER  63          3HB       SER  63  -5.481 -11.799   7.449
  444    HG   SER  63           HG       SER  63  -4.623 -12.886   4.906
  445    H    ILE  64           HN       ILE  64  -2.595 -11.938   4.493
  446    HA   ILE  64           HA       ILE  64  -1.356 -14.353   4.606
  447    HB   ILE  64           HB       ILE  64  -0.676 -11.922   2.951
  448   1HG1  ILE  64          2HG1      ILE  64  -3.004 -12.708   2.757
  449   2HG1  ILE  64          3HG1      ILE  64  -2.101 -12.905   1.268
  450   1HG2  ILE  64          1HG2      ILE  64   0.400 -13.463   1.386
  451   2HG2  ILE  64          2HG2      ILE  64   1.213 -13.470   2.969
  452   3HG2  ILE  64          3HG2      ILE  64   0.132 -14.811   2.518
  453   1HD1  ILE  64          1HD1      ILE  64  -1.779 -15.291   2.893
  454   2HD1  ILE  64          2HD1      ILE  64  -3.509 -14.911   2.718
  455   3HD1  ILE  64          3HD1      ILE  64  -2.495 -15.133   1.272
  456    H    ARG  65           HN       ARG  65   0.731 -11.429   4.312
  457    HA   ARG  65           HA       ARG  65   2.489 -12.736   6.215
  458   1HB   ARG  65          2HB       ARG  65   2.990 -10.702   3.996
  459   2HB   ARG  65          3HB       ARG  65   4.206 -11.053   5.208
  460   1HG   ARG  65          2HG       ARG  65   2.976 -13.450   3.912
  461   2HG   ARG  65          3HG       ARG  65   3.938 -12.441   2.851
  462   1HD   ARG  65          2HD       ARG  65   5.856 -13.266   3.741
  463   2HD   ARG  65          3HD       ARG  65   5.378 -12.736   5.342
  464    HE   ARG  65           HE       ARG  65   3.866 -15.020   4.985
  465   1HH1  ARG  65          1HH1      ARG  65   6.199 -17.541   5.595
  466   2HH1  ARG  65          2HH1      ARG  65   4.516 -17.138   5.544
  467   1HH2  ARG  65          1HH2      ARG  65   7.795 -15.931   5.097
  468   2HH2  ARG  65          2HH2      ARG  65   7.301 -14.325   4.676
  469    H    VAL  66           HN       VAL  66   2.461 -11.881   8.270
  470    HA   VAL  66           HA       VAL  66   1.421  -9.195   8.620
  471    HB   VAL  66           HB       VAL  66   2.149 -11.406  10.549
  472   1HG1  VAL  66          1HG1      VAL  66   1.628 -10.084  12.336
  473   2HG1  VAL  66          2HG1      VAL  66   2.237  -8.818  11.243
  474   3HG1  VAL  66          3HG1      VAL  66   0.485  -9.083  11.407
  475   1HG2  VAL  66          1HG2      VAL  66  -0.246 -10.766   9.004
  476   2HG2  VAL  66          2HG2      VAL  66   0.169 -12.238   9.915
  477   3HG2  VAL  66          3HG2      VAL  66  -0.569 -10.851  10.752
  478    H    TYR  67           HN       TYR  67   2.647  -7.425   9.125
  479    HA   TYR  67           HA       TYR  67   5.477  -7.941   9.741
  480   1HB   TYR  67          2HB       TYR  67   4.045  -6.448   7.594
  481   2HB   TYR  67          3HB       TYR  67   5.175  -5.416   8.447
  482    HD1  TYR  67           HD1      TYR  67   6.875  -5.078   6.854
  483    HD2  TYR  67           HD2      TYR  67   5.547  -9.057   7.695
  484    HE1  TYR  67           HE1      TYR  67   8.781  -6.016   5.458
  485    HE2  TYR  67           HE2      TYR  67   7.458  -9.982   6.296
  486    HH   TYR  67           HH       TYR  67   9.381  -9.484   5.328
  487    H    LEU  68           HN       LEU  68   3.309  -5.038   9.486
  488    HA   LEU  68           HA       LEU  68   4.391  -3.543  11.424
  489   1HB   LEU  68          2HB       LEU  68   1.472  -3.903  10.745
  490   2HB   LEU  68          3HB       LEU  68   2.081  -2.622  11.774
  491    HG   LEU  68           HG       LEU  68   3.141  -2.991   8.975
  492   1HD1  LEU  68          1HD1      LEU  68   1.353  -0.978   8.661
  493   2HD1  LEU  68          2HD1      LEU  68   1.041  -2.677   8.231
  494   3HD1  LEU  68          3HD1      LEU  68   0.467  -2.032   9.788
  495   1HD2  LEU  68          1HD2      LEU  68   3.307  -0.930  11.105
  496   2HD2  LEU  68          2HD2      LEU  68   4.501  -1.429   9.883
  497   3HD2  LEU  68          3HD2      LEU  68   3.165  -0.344   9.430
  498    H    GLY  69           HN       GLY  69   1.585  -5.772  12.061
  499   1HA   GLY  69          1HA       GLY  69   2.209  -5.709  14.902
  500   2HA   GLY  69          2HA       GLY  69   0.821  -6.442  14.125
  501    H    ALA  70           HN       ALA  70   4.441  -6.786  14.238
  502    HA   ALA  70           HA       ALA  70   4.230  -9.512  14.995
  503   1HB   ALA  70          1HB       ALA  70   5.479 -10.282  12.855
  504   2HB   ALA  70          2HB       ALA  70   3.720 -10.034  12.751
  505   3HB   ALA  70          3HB       ALA  70   4.833  -8.798  12.115
  506    H    GLU  71           HN       GLU  71   6.330  -7.127  13.228
  507    HA   GLU  71           HA       GLU  71   8.654  -8.093  14.470
  508   1HB   GLU  71          2HB       GLU  71   9.585  -5.827  13.568
  509   2HB   GLU  71          3HB       GLU  71   9.030  -7.022  12.412
  510   1HG   GLU  71          2HG       GLU  71   7.252  -5.737  11.733
  511   2HG   GLU  71          3HG       GLU  71   6.879  -5.209  13.362
  512    H    THR  72           HN       THR  72   6.169  -5.726  15.322
  513    HA   THR  72           HA       THR  72   7.790  -4.437  17.325
  514    HB   THR  72           HB       THR  72   5.388  -3.461  17.816
  515    HG1  THR  72           1HG      THR  72   3.873  -4.421  16.516
  516   1HG2  THR  72          1HG2      THR  72   6.629  -1.919  16.554
  517   2HG2  THR  72          2HG2      THR  72   7.044  -3.123  15.311
  518   3HG2  THR  72          3HG2      THR  72   5.420  -2.395  15.338
  519    H    THR  73           HN       THR  73   8.080  -7.089  17.825
  520    HA   THR  73           HA       THR  73   6.483  -7.376  20.277
  521    HB   THR  73           HB       THR  73   6.991  -9.362  18.026
  522    HG1  THR  73           1HG      THR  73   5.018  -7.912  18.418
  523   1HG2  THR  73          1HG2      THR  73   7.540 -10.239  20.499
  524   2HG2  THR  73          2HG2      THR  73   5.769 -10.181  20.673
  525   3HG2  THR  73          3HG2      THR  73   6.507 -11.202  19.415
  526    H    ARG  74           HN       ARG  74   9.453  -8.333  18.453
  527    HA   ARG  74           HA       ARG  74  10.714  -8.558  21.068
  528   1HB   ARG  74          2HB       ARG  74  12.320 -10.126  20.030
  529   2HB   ARG  74          3HB       ARG  74  10.683 -10.691  19.767
  530   1HG   ARG  74          2HG       ARG  74  11.692  -8.866  17.643
  531   2HG   ARG  74          3HG       ARG  74  12.585 -10.369  17.778
  532   1HD   ARG  74          2HD       ARG  74   9.542 -10.367  17.701
  533   2HD   ARG  74          3HD       ARG  74  10.477 -10.311  16.220
  534    HE   ARG  74           HE       ARG  74  11.320 -12.437  18.060
  535   1HH1  ARG  74          1HH1      ARG  74   9.984 -14.946  16.036
  536   2HH1  ARG  74          2HH1      ARG  74  11.011 -14.599  17.387
  537   1HH2  ARG  74          1HH2      ARG  74   8.921 -13.217  14.912
  538   2HH2  ARG  74          2HH2      ARG  74   9.155 -11.579  15.423
  539    H    SER  75           HN       SER  75  10.483  -6.789  18.121
  540    HA   SER  75           HA       SER  75  13.170  -5.730  18.484
  541   1HB   SER  75          2HB       SER  75  11.851  -6.573  16.173
  542   2HB   SER  75          3HB       SER  75  11.668  -4.831  16.103
  543    HG   SER  75           HG       SER  75  14.175  -5.064  16.769
  544    H    MET  76           HN       MET  76  10.254  -5.193  19.747
  545    HA   MET  76           HA       MET  76  10.224  -2.336  19.215
  546   1HB   MET  76          2HB       MET  76   8.199  -4.303  19.462
  547   2HB   MET  76          3HB       MET  76   8.113  -3.434  20.982
  548   1HG   MET  76          2HG       MET  76   8.191  -1.977  18.304
  549   2HG   MET  76          3HG       MET  76   6.685  -2.518  19.016
  550   1HE   MET  76          1HE       MET  76   5.371  -0.623  20.851
  551   2HE   MET  76          2HE       MET  76   6.062  -2.200  21.301
  552   3HE   MET  76          3HE       MET  76   6.392  -0.767  22.303
  553    H    GLY  77           HN       GLY  77  10.628  -4.800  21.776
  554   1HA   GLY  77          1HA       GLY  77  10.792  -2.785  23.867
  555   2HA   GLY  77          2HA       GLY  77  10.901  -4.524  24.043
  556    H    LEU  78           HN       LEU  78  12.776  -2.767  21.566
  557    HA   LEU  78           HA       LEU  78  15.191  -3.436  23.092
  558   1HB   LEU  78          2HB       LEU  78  15.121  -2.913  20.140
  559   2HB   LEU  78          3HB       LEU  78  16.319  -3.774  21.084
  560    HG   LEU  78           HG       LEU  78  13.625  -4.711  20.134
  561   1HD1  LEU  78          1HD1      LEU  78  16.323  -6.084  20.089
  562   2HD1  LEU  78          2HD1      LEU  78  14.844  -6.546  19.213
  563   3HD1  LEU  78          3HD1      LEU  78  15.705  -5.051  18.777
  564   1HD2  LEU  78          1HD2      LEU  78  13.261  -5.559  22.194
  565   2HD2  LEU  78          2HD2      LEU  78  14.394  -6.814  21.637
  566   3HD2  LEU  78          3HD2      LEU  78  14.979  -5.478  22.656
  567    H    ALA  79           HN       ALA  79  14.117  -1.047  20.565
  568    HA   ALA  79           HA       ALA  79  15.619   0.970  22.086
  569   1HB   ALA  79          1HB       ALA  79  15.423   2.154  19.743
  570   2HB   ALA  79          2HB       ALA  79  16.629   0.867  19.984
  571   3HB   ALA  79          3HB       ALA  79  15.098   0.507  19.151
  572    H    TYR  80           HN       TYR  80  12.714   0.559  19.933
  573    HA   TYR  80           HA       TYR  80  11.444   2.713  21.472
  574   1HB   TYR  80          2HB       TYR  80   9.904   2.575  19.356
  575   2HB   TYR  80          3HB       TYR  80  11.534   3.151  19.075
  576    HD1  TYR  80           HD1      TYR  80   9.172   0.404  18.523
  577    HD2  TYR  80           HD2      TYR  80  13.193   1.738  17.927
  578    HE1  TYR  80           HE1      TYR  80   9.529  -1.423  16.792
  579    HE2  TYR  80           HE2      TYR  80  13.537  -0.094  16.198
  580    HH   TYR  80           HH       TYR  80  12.273  -1.453  14.744
  Start of MODEL   29
    1    H    SER   1           HN       SER   1  -1.845  -1.845   9.991
    2    HA   SER   1           HA       SER   1  -3.349  -2.509  11.903
    3   1HB   SER   1          2HB       SER   1  -5.342  -2.213  10.213
    4   2HB   SER   1          3HB       SER   1  -4.926  -3.828   9.674
    5    HG   SER   1           HG       SER   1  -6.289  -4.346  11.281
    6    H    HIS   2           HN       HIS   2  -2.529  -3.961   8.695
    7    HA   HIS   2           HA       HIS   2  -1.047  -6.008  10.152
    8   1HB   HIS   2          2HB       HIS   2  -3.275  -6.397   8.231
    9   2HB   HIS   2          3HB       HIS   2  -1.873  -7.419   7.987
   10    HD1  HIS   2           HD1      HIS   2  -3.821  -6.335  11.125
   11    HD2  HIS   2           HD2      HIS   2  -2.269  -9.772   9.286
   12    HE1  HIS   2           HE1      HIS   2  -4.385  -8.288  12.667
   13    H    SER   3           HN       SER   3   0.536  -7.166   8.570
   14    HA   SER   3           HA       SER   3   2.388  -5.531   7.711
   15   1HB   SER   3          2HB       SER   3   2.992  -7.311   5.967
   16   2HB   SER   3          3HB       SER   3   2.813  -7.875   7.617
   17    HG   SER   3           HG       SER   3   0.708  -7.989   5.629
   18    H    VAL   4           HN       VAL   4   2.960  -4.314   5.835
   19    HA   VAL   4           HA       VAL   4   0.734  -3.933   3.953
   20    HB   VAL   4           HB       VAL   4   1.162  -2.026   5.438
   21   1HG1  VAL   4          1HG1      VAL   4   3.416  -2.088   6.030
   22   2HG1  VAL   4          2HG1      VAL   4   3.958  -2.292   4.348
   23   3HG1  VAL   4          3HG1      VAL   4   3.344  -0.716   4.899
   24   1HG2  VAL   4          1HG2      VAL   4   1.824  -0.392   3.426
   25   2HG2  VAL   4          2HG2      VAL   4   1.531  -1.871   2.479
   26   3HG2  VAL   4          3HG2      VAL   4   0.243  -1.206   3.513
   27    H    LYS   5           HN       LYS   5   2.432  -6.093   3.533
   28    HA   LYS   5           HA       LYS   5   4.763  -5.596   2.158
   29   1HB   LYS   5          2HB       LYS   5   2.876  -7.813   2.489
   30   2HB   LYS   5          3HB       LYS   5   3.670  -7.832   0.928
   31   1HG   LYS   5          2HG       LYS   5   5.293  -7.363   3.450
   32   2HG   LYS   5          3HG       LYS   5   4.838  -8.992   2.991
   33   1HD   LYS   5          2HD       LYS   5   6.288  -7.059   1.125
   34   2HD   LYS   5          3HD       LYS   5   7.112  -8.237   2.126
   35   1HE   LYS   5          2HE       LYS   5   5.677 -10.048   1.010
   36   2HE   LYS   5          3HE       LYS   5   5.100  -8.818  -0.097
   37   1HZ   LYS   5          1HZ       LYS   5   7.479  -8.391  -0.610
   38   2HZ   LYS   5          2HZ       LYS   5   7.867  -9.727   0.244
   39   3HZ   LYS   5          3HZ       LYS   5   6.933  -9.854  -1.089
   40    H    ILE   6           HN       ILE   6   4.708  -6.511  -0.408
   41    HA   ILE   6           HA       ILE   6   3.289  -4.335  -1.723
   42    HB   ILE   6           HB       ILE   6   5.550  -6.145  -2.558
   43   1HG1  ILE   6          2HG1      ILE   6   6.514  -3.659  -2.799
   44   2HG1  ILE   6          3HG1      ILE   6   5.318  -3.343  -1.558
   45   1HG2  ILE   6          1HG2      ILE   6   5.215  -5.689  -4.702
   46   2HG2  ILE   6          2HG2      ILE   6   3.644  -4.979  -4.262
   47   3HG2  ILE   6          3HG2      ILE   6   5.089  -3.946  -4.365
   48   1HD1  ILE   6          1HD1      ILE   6   7.892  -4.511  -1.223
   49   2HD1  ILE   6          2HD1      ILE   6   6.632  -4.297   0.017
   50   3HD1  ILE   6          3HD1      ILE   6   6.711  -5.808  -0.919
   51    H    TYR   7           HN       TYR   7   1.167  -5.398  -1.364
   52    HA   TYR   7           HA       TYR   7   0.778  -7.628  -3.245
   53   1HB   TYR   7          2HB       TYR   7  -0.161  -6.841  -0.501
   54   2HB   TYR   7          3HB       TYR   7  -1.458  -7.386  -1.546
   55    HD1  TYR   7           HD1      TYR   7  -0.030  -8.612   1.057
   56    HD2  TYR   7           HD2      TYR   7   0.057  -9.478  -3.132
   57    HE1  TYR   7           HE1      TYR   7   0.574 -11.030   1.561
   58    HE2  TYR   7           HE2      TYR   7   0.660 -11.893  -2.614
   59    HH   TYR   7           HH       TYR   7   1.313 -13.287  -1.057
   60    H    ASP   8           HN       ASP   8  -1.571  -7.679  -4.129
   61    HA   ASP   8           HA       ASP   8  -2.026  -5.056  -5.211
   62   1HB   ASP   8          2HB       ASP   8  -3.743  -6.345  -6.624
   63   2HB   ASP   8          3HB       ASP   8  -2.064  -6.794  -6.848
   64    H    THR   9           HN       THR   9  -2.649  -5.430  -2.385
   65    HA   THR   9           HA       THR   9  -5.521  -5.828  -2.233
   66    HB   THR   9           HB       THR   9  -4.142  -6.799  -0.469
   67    HG1  THR   9           1HG      THR   9  -4.988  -5.312   1.315
   68   1HG2  THR   9          1HG2      THR   9  -2.631  -4.311  -0.757
   69   2HG2  THR   9          2HG2      THR   9  -3.171  -4.511   0.927
   70   3HG2  THR   9          3HG2      THR   9  -2.192  -5.779   0.149
   71    H    CYS  10           HN       CYS  10  -6.492  -4.168  -3.384
   72    HA   CYS  10           HA       CYS  10  -6.581  -1.701  -1.947
   73   1HB   CYS  10          2HB       CYS  10  -4.567  -1.407  -3.432
   74   2HB   CYS  10          3HB       CYS  10  -5.619  -1.587  -4.822
   75    H    ILE  11           HN       ILE  11  -8.502  -0.473  -2.586
   76    HA   ILE  11           HA       ILE  11 -10.268  -2.015  -4.359
   77    HB   ILE  11           HB       ILE  11 -12.126  -1.286  -3.000
   78   1HG1  ILE  11          2HG1      ILE  11 -11.196  -0.301  -0.635
   79   2HG1  ILE  11          3HG1      ILE  11 -10.075   0.450  -1.753
   80   1HG2  ILE  11          1HG2      ILE  11 -10.447  -2.310  -0.824
   81   2HG2  ILE  11          2HG2      ILE  11 -11.889  -3.010  -1.597
   82   3HG2  ILE  11          3HG2      ILE  11 -10.287  -3.220  -2.345
   83   1HD1  ILE  11          1HD1      ILE  11 -12.968   0.489  -2.545
   84   2HD1  ILE  11          2HD1      ILE  11 -12.490   1.525  -1.179
   85   3HD1  ILE  11          3HD1      ILE  11 -11.712   1.731  -2.767
   86    H    GLY  12           HN       GLY  12  -8.973   1.151  -3.355
   87   1HA   GLY  12          1HA       GLY  12  -8.712   2.563  -5.445
   88   2HA   GLY  12          2HA       GLY  12 -10.452   2.412  -5.579
   89    H    CYS  13           HN       CYS  13  -8.509   2.727  -2.550
   90    HA   CYS  13           HA       CYS  13  -9.876   5.285  -2.124
   91   1HB   CYS  13          2HB       CYS  13 -10.603   4.592  -0.132
   92   2HB   CYS  13          3HB       CYS  13 -10.097   2.974  -0.573
   93    H    THR  14           HN       THR  14  -8.496   6.525  -0.247
   94    HA   THR  14           HA       THR  14  -5.639   6.169  -0.825
   95    HB   THR  14           HB       THR  14  -5.463   8.627  -1.154
   96    HG1  THR  14           1HG      THR  14  -8.385   8.456  -1.005
   97   1HG2  THR  14          1HG2      THR  14  -7.750   7.420  -2.801
   98   2HG2  THR  14          2HG2      THR  14  -6.868   8.912  -3.212
   99   3HG2  THR  14          3HG2      THR  14  -6.021   7.346  -3.221
  100    H    GLN  15           HN       GLN  15  -6.303   4.964   1.337
  101    HA   GLN  15           HA       GLN  15  -6.289   6.913   3.485
  102   1HB   GLN  15          2HB       GLN  15  -6.919   5.048   4.946
  103   2HB   GLN  15          3HB       GLN  15  -7.995   5.107   3.564
  104   1HG   GLN  15          2HG       GLN  15  -6.542   3.355   2.432
  105   2HG   GLN  15          3HG       GLN  15  -5.605   3.237   3.907
  106   1HE2  GLN  15          1HE2      GLN  15  -6.223   1.023   3.942
  107   2HE2  GLN  15          2HE2      GLN  15  -7.756   0.523   4.576
  108    H    CYS  16           HN       CYS  16  -4.537   3.984   2.270
  109    HA   CYS  16           HA       CYS  16  -2.441   4.424   4.196
  110   1HB   CYS  16          2HB       CYS  16  -1.577   2.341   3.551
  111   2HB   CYS  16          3HB       CYS  16  -3.314   2.130   3.466
  112    H    VAL  17           HN       VAL  17  -3.248   6.339   1.875
  113    HA   VAL  17           HA       VAL  17  -0.562   6.486   0.690
  114    HB   VAL  17           HB       VAL  17  -3.155   7.311  -0.625
  115   1HG1  VAL  17          1HG1      VAL  17  -1.419   8.547  -1.606
  116   2HG1  VAL  17          2HG1      VAL  17  -0.272   7.189  -1.517
  117   3HG1  VAL  17          3HG1      VAL  17  -1.612   7.146  -2.688
  118   1HG2  VAL  17          1HG2      VAL  17  -3.327   5.287  -1.713
  119   2HG2  VAL  17          2HG2      VAL  17  -1.598   4.908  -1.520
  120   3HG2  VAL  17          3HG2      VAL  17  -2.704   4.752  -0.134
  121    H    ARG  18           HN       ARG  18  -2.356   7.703   3.076
  122    HA   ARG  18           HA       ARG  18  -1.765  10.461   2.368
  123   1HB   ARG  18          2HB       ARG  18  -4.034   9.191   3.657
  124   2HB   ARG  18          3HB       ARG  18  -3.304  10.299   4.802
  125   1HG   ARG  18          2HG       ARG  18  -4.998  11.485   3.470
  126   2HG   ARG  18          3HG       ARG  18  -3.410  12.132   3.111
  127   1HD   ARG  18          2HD       ARG  18  -3.743   9.993   1.275
  128   2HD   ARG  18          3HD       ARG  18  -5.304  10.790   1.319
  129    HE   ARG  18           HE       ARG  18  -3.574  12.921   1.125
  130   1HH1  ARG  18          1HH1      ARG  18  -2.664  12.858  -2.244
  131   2HH1  ARG  18          2HH1      ARG  18  -2.783  13.832  -0.817
  132   1HH2  ARG  18          1HH2      ARG  18  -3.305  10.628  -2.185
  133   2HH2  ARG  18          2HH2      ARG  18  -3.904   9.938  -0.713
  134    H    ALA  19           HN       ALA  19  -1.730   8.086   5.124
  135    HA   ALA  19           HA       ALA  19   0.081   9.760   6.614
  136   1HB   ALA  19          1HB       ALA  19  -0.021   7.605   8.113
  137   2HB   ALA  19          2HB       ALA  19  -1.455   8.651   7.983
  138   3HB   ALA  19          3HB       ALA  19  -1.364   7.145   7.040
  139    H    CYS  20           HN       CYS  20   1.795   9.838   4.942
  140    HA   CYS  20           HA       CYS  20   3.691   7.769   5.433
  141   1HB   CYS  20          2HB       CYS  20   2.238   6.832   3.557
  142   2HB   CYS  20          3HB       CYS  20   2.854   8.122   2.543
  143    HA   PRO  21           HA       PRO  21   5.468  11.824   4.803
  144   1HB   PRO  21          2HB       PRO  21   7.450  11.591   6.671
  145   2HB   PRO  21          3HB       PRO  21   5.859  12.228   7.036
  146   1HG   PRO  21          2HG       PRO  21   6.995   9.583   7.706
  147   2HG   PRO  21          3HG       PRO  21   5.607  10.390   8.406
  148   1HD   PRO  21          2HD       PRO  21   5.565   8.235   6.514
  149   2HD   PRO  21          3HD       PRO  21   4.181   9.119   7.127
  150    H    LEU  22           HN       LEU  22   7.529   9.008   5.383
  151    HA   LEU  22           HA       LEU  22   9.667   9.888   3.896
  152   1HB   LEU  22          2HB       LEU  22   8.603   7.152   4.548
  153   2HB   LEU  22          3HB       LEU  22  10.051   7.362   3.585
  154    HG   LEU  22           HG       LEU  22  10.641   8.959   5.714
  155   1HD1  LEU  22          1HD1      LEU  22   8.359   7.738   6.606
  156   2HD1  LEU  22          2HD1      LEU  22   9.629   6.674   7.257
  157   3HD1  LEU  22          3HD1      LEU  22   9.641   8.412   7.640
  158   1HD2  LEU  22          1HD2      LEU  22  12.390   7.592   5.801
  159   2HD2  LEU  22          2HD2      LEU  22  11.379   6.216   6.305
  160   3HD2  LEU  22          3HD2      LEU  22  11.576   6.589   4.576
  161    H    ASP  23           HN       ASP  23   6.560   8.465   2.867
  162    HA   ASP  23           HA       ASP  23   5.586   8.662   0.902
  163   1HB   ASP  23          2HB       ASP  23   7.512  10.509   0.490
  164   2HB   ASP  23          3HB       ASP  23   8.117   9.289  -0.611
  165    H    VAL  24           HN       VAL  24   6.250   6.216   1.804
  166    HA   VAL  24           HA       VAL  24   7.876   4.883  -0.219
  167    HB   VAL  24           HB       VAL  24   8.376   4.500   2.144
  168   1HG1  VAL  24          1HG1      VAL  24   5.475   3.694   2.243
  169   2HG1  VAL  24          2HG1      VAL  24   6.648   2.982   3.377
  170   3HG1  VAL  24          3HG1      VAL  24   6.398   4.744   3.345
  171   1HG2  VAL  24          1HG2      VAL  24   8.054   1.923   2.079
  172   2HG2  VAL  24          2HG2      VAL  24   7.359   2.209   0.465
  173   3HG2  VAL  24          3HG2      VAL  24   9.035   2.698   0.812
  174    H    LEU  25           HN       LEU  25   4.556   5.159   1.083
  175    HA   LEU  25           HA       LEU  25   3.591   3.002  -0.536
  176   1HB   LEU  25          2HB       LEU  25   2.226   5.094   1.160
  177   2HB   LEU  25          3HB       LEU  25   1.368   3.849   0.275
  178    HG   LEU  25           HG       LEU  25   3.345   2.498   1.778
  179   1HD1  LEU  25          1HD1      LEU  25   3.803   4.033   3.388
  180   2HD1  LEU  25          2HD1      LEU  25   2.245   4.872   3.199
  181   3HD1  LEU  25          3HD1      LEU  25   2.326   3.338   4.098
  182   1HD2  LEU  25          1HD2      LEU  25   1.492   1.239   1.601
  183   2HD2  LEU  25          2HD2      LEU  25   1.041   2.022   3.135
  184   3HD2  LEU  25          3HD2      LEU  25   0.403   2.646   1.594
  185    H    GLU  26           HN       GLU  26   3.688   3.244  -2.719
  186    HA   GLU  26           HA       GLU  26   2.499   5.699  -3.737
  187   1HB   GLU  26          2HB       GLU  26   4.930   4.287  -4.922
  188   2HB   GLU  26          3HB       GLU  26   4.149   5.705  -5.591
  189   1HG   GLU  26          2HG       GLU  26   5.040   5.841  -2.716
  190   2HG   GLU  26          3HG       GLU  26   6.284   5.887  -3.949
  191    H    MET  27           HN       MET  27   2.562   5.047  -6.491
  192    HA   MET  27           HA       MET  27   0.658   2.867  -6.460
  193   1HB   MET  27          2HB       MET  27  -0.021   3.783  -8.668
  194   2HB   MET  27          3HB       MET  27   0.051   5.083  -7.495
  195   1HG   MET  27          2HG       MET  27   1.469   6.175  -8.894
  196   2HG   MET  27          3HG       MET  27   2.675   4.952  -8.545
  197   1HE   MET  27          1HE       MET  27   1.246   6.523 -11.845
  198   2HE   MET  27          2HE       MET  27  -0.122   5.403 -12.047
  199   3HE   MET  27          3HE       MET  27   0.039   6.349 -10.548
  200    H    VAL  28           HN       VAL  28   0.901   0.958  -7.663
  201    HA   VAL  28           HA       VAL  28   3.438   0.722  -9.126
  202    HB   VAL  28           HB       VAL  28   3.947  -1.260  -8.119
  203   1HG1  VAL  28          1HG1      VAL  28   3.736   0.718  -6.453
  204   2HG1  VAL  28          2HG1      VAL  28   2.339  -0.176  -5.809
  205   3HG1  VAL  28          3HG1      VAL  28   3.953  -0.926  -5.806
  206   1HG2  VAL  28          1HG2      VAL  28   1.034  -1.642  -8.064
  207   2HG2  VAL  28          2HG2      VAL  28   2.345  -2.828  -8.268
  208   3HG2  VAL  28          3HG2      VAL  28   1.867  -2.301  -6.636
  209    HA   PRO  29           HA       PRO  29   1.117  -1.121 -12.285
  210   1HB   PRO  29          2HB       PRO  29   2.476  -3.363 -13.058
  211   2HB   PRO  29          3HB       PRO  29   2.961  -1.742 -13.515
  212   1HG   PRO  29          2HG       PRO  29   4.169  -3.540 -11.504
  213   2HG   PRO  29          3HG       PRO  29   4.865  -2.127 -12.271
  214   1HD   PRO  29          2HD       PRO  29   3.814  -2.291  -9.607
  215   2HD   PRO  29          3HD       PRO  29   4.403  -0.852 -10.415
  216    H    TRP  30           HN       TRP  30  -0.923  -1.771 -12.096
  217    HA   TRP  30           HA       TRP  30  -1.243  -4.492 -11.086
  218   1HB   TRP  30          2HB       TRP  30  -1.541  -3.091  -9.135
  219   2HB   TRP  30          3HB       TRP  30  -2.684  -2.072  -9.989
  220    HD1  TRP  30           HD1      TRP  30  -5.132  -2.649  -9.320
  221    HE1  TRP  30           HE1      TRP  30  -6.544  -4.745  -8.562
  222    HE3  TRP  30           HE3      TRP  30  -1.299  -5.981  -9.568
  223    HZ2  TRP  30           HZ2      TRP  30  -5.915  -7.499  -8.160
  224    HZ3  TRP  30           HZ3      TRP  30  -1.782  -8.354  -8.977
  225    HH2  TRP  30           HH2      TRP  30  -3.996  -9.131  -8.292
  226    H    ASP  31           HN       ASP  31  -3.755  -5.056 -11.445
  227    HA   ASP  31           HA       ASP  31  -4.674  -3.686 -13.828
  228   1HB   ASP  31          2HB       ASP  31  -3.336  -5.984 -14.169
  229   2HB   ASP  31          3HB       ASP  31  -4.859  -6.701 -13.682
  230    H    GLY  32           HN       GLY  32  -5.943  -2.992 -11.650
  231   1HA   GLY  32          1HA       GLY  32  -8.445  -4.470 -11.674
  232   2HA   GLY  32          2HA       GLY  32  -7.586  -4.462 -10.148
  233    H    CYS  33           HN       CYS  33  -6.361  -1.774 -10.543
  234    HA   CYS  33           HA       CYS  33  -8.505  -0.270  -9.484
  235   1HB   CYS  33          2HB       CYS  33  -5.694  -0.098  -9.492
  236   2HB   CYS  33          3HB       CYS  33  -6.242   1.353 -10.308
  237    HG   CYS  33           HG       CYS  33  -8.339   1.417  -8.323
  238    H    LYS  34           HN       LYS  34  -8.922   2.059 -10.474
  239    HA   LYS  34           HA       LYS  34 -10.014   1.665 -13.034
  240   1HB   LYS  34          2HB       LYS  34 -10.203   3.552 -10.926
  241   2HB   LYS  34          3HB       LYS  34  -9.751   4.455 -12.358
  242   1HG   LYS  34          2HG       LYS  34 -11.859   2.375 -12.776
  243   2HG   LYS  34          3HG       LYS  34 -12.328   3.722 -11.759
  244   1HD   LYS  34          2HD       LYS  34 -12.389   5.181 -13.515
  245   2HD   LYS  34          3HD       LYS  34 -10.860   4.612 -14.157
  246   1HE   LYS  34          2HE       LYS  34 -12.723   2.482 -14.563
  247   2HE   LYS  34          3HE       LYS  34 -13.562   3.950 -15.023
  248   1HZ   LYS  34          1HZ       LYS  34 -11.569   4.498 -16.358
  249   2HZ   LYS  34          2HZ       LYS  34 -10.980   3.008 -16.049
  250   3HZ   LYS  34          3HZ       LYS  34 -12.375   3.177 -16.880
  251    H    ALA  35           HN       ALA  35  -6.836   2.543 -11.897
  252    HA   ALA  35           HA       ALA  35  -6.139   3.326 -14.646
  253   1HB   ALA  35          1HB       ALA  35  -4.158   4.458 -13.310
  254   2HB   ALA  35          2HB       ALA  35  -5.734   5.273 -13.441
  255   3HB   ALA  35          3HB       ALA  35  -5.310   4.392 -11.954
  256    H    GLY  36           HN       GLY  36  -6.362   0.622 -13.240
  257   1HA   GLY  36          1HA       GLY  36  -5.134  -1.248 -12.910
  258   2HA   GLY  36          2HA       GLY  36  -4.333  -0.742 -14.386
  259    H    GLN  37           HN       GLN  37  -4.328   0.541 -10.978
  260    HA   GLN  37           HA       GLN  37  -1.547  -0.155 -10.788
  261   1HB   GLN  37          2HB       GLN  37  -0.964   2.220 -10.053
  262   2HB   GLN  37          3HB       GLN  37  -1.256   2.008 -11.768
  263   1HG   GLN  37          2HG       GLN  37  -2.828   3.637 -11.644
  264   2HG   GLN  37          3HG       GLN  37  -3.812   2.554 -10.679
  265   1HE2  GLN  37          1HE2      GLN  37  -4.220   3.022  -8.636
  266   2HE2  GLN  37          2HE2      GLN  37  -3.492   4.287  -7.703
  267    H    ILE  38           HN       ILE  38  -1.267  -1.042  -8.789
  268    HA   ILE  38           HA       ILE  38  -3.257  -0.383  -6.760
  269    HB   ILE  38           HB       ILE  38  -2.685  -2.758  -7.562
  270   1HG1  ILE  38          2HG1      ILE  38  -2.541  -3.190  -4.782
  271   2HG1  ILE  38          3HG1      ILE  38  -3.397  -1.673  -4.972
  272   1HG2  ILE  38          1HG2      ILE  38  -0.837  -3.742  -6.045
  273   2HG2  ILE  38          2HG2      ILE  38  -0.364  -2.888  -7.533
  274   3HG2  ILE  38          3HG2      ILE  38  -0.234  -2.070  -5.958
  275   1HD1  ILE  38          1HD1      ILE  38  -5.026  -3.480  -5.046
  276   2HD1  ILE  38          2HD1      ILE  38  -4.897  -2.791  -6.683
  277   3HD1  ILE  38          3HD1      ILE  38  -4.091  -4.332  -6.298
  278    H    ALA  39           HN       ALA  39  -2.762   0.688  -4.882
  279    HA   ALA  39           HA       ALA  39  -0.274   2.068  -4.817
  280   1HB   ALA  39          1HB       ALA  39  -1.592   2.354  -2.341
  281   2HB   ALA  39          2HB       ALA  39  -1.673   3.457  -3.735
  282   3HB   ALA  39          3HB       ALA  39  -2.890   2.170  -3.546
  283    H    SER  40           HN       SER  40   1.558   0.894  -4.411
  284    HA   SER  40           HA       SER  40   1.543  -0.563  -1.909
  285   1HB   SER  40          2HB       SER  40   2.600  -1.674  -4.546
  286   2HB   SER  40          3HB       SER  40   2.885  -2.409  -2.982
  287    HG   SER  40           HG       SER  40   0.189  -1.841  -3.774
  288    H    SER  41           HN       SER  41   4.065  -1.315  -1.546
  289    HA   SER  41           HA       SER  41   5.621   1.054  -2.241
  290   1HB   SER  41          2HB       SER  41   5.504  -0.606   0.293
  291   2HB   SER  41          3HB       SER  41   6.933   0.338  -0.077
  292    HG   SER  41           HG       SER  41   4.232   1.295   0.304
  293    HA   PRO  42           HA       PRO  42   7.835  -2.323  -4.167
  294   1HB   PRO  42          2HB       PRO  42   8.820  -0.891  -6.275
  295   2HB   PRO  42          3HB       PRO  42   7.287  -1.740  -6.326
  296   1HG   PRO  42          2HG       PRO  42   7.793   1.162  -6.071
  297   2HG   PRO  42          3HG       PRO  42   6.318   0.342  -6.545
  298   1HD   PRO  42          2HD       PRO  42   6.877   1.533  -3.996
  299   2HD   PRO  42          3HD       PRO  42   5.451   0.612  -4.433
  300    H    ARG  43           HN       ARG  43   9.186   0.942  -4.049
  301    HA   ARG  43           HA       ARG  43  11.707  -0.301  -3.385
  302   1HB   ARG  43          2HB       ARG  43  11.108   2.659  -3.867
  303   2HB   ARG  43          3HB       ARG  43  12.693   1.913  -3.826
  304   1HG   ARG  43          2HG       ARG  43  10.577   1.005  -5.817
  305   2HG   ARG  43          3HG       ARG  43  11.615   2.375  -6.159
  306   1HD   ARG  43          2HD       ARG  43  13.035   0.790  -7.020
  307   2HD   ARG  43          3HD       ARG  43  13.499   0.549  -5.347
  308    HE   ARG  43           HE       ARG  43  11.339  -1.119  -5.548
  309   1HH1  ARG  43          1HH1      ARG  43  12.560  -3.824  -7.383
  310   2HH1  ARG  43          2HH1      ARG  43  11.348  -3.287  -6.268
  311   1HH2  ARG  43          1HH2      ARG  43  14.175  -2.341  -8.145
  312   2HH2  ARG  43          2HH2      ARG  43  14.168  -0.698  -7.599
  313    H    THR  44           HN       THR  44  10.984  -0.951  -1.186
  314    HA   THR  44           HA       THR  44  10.347   1.210   0.649
  315    HB   THR  44           HB       THR  44  10.535  -1.837   0.881
  316    HG1  THR  44           1HG      THR  44   8.761  -0.671  -0.334
  317   1HG2  THR  44          1HG2      THR  44  10.364   0.254   2.958
  318   2HG2  THR  44          2HG2      THR  44   8.929  -0.797   2.948
  319   3HG2  THR  44          3HG2      THR  44  10.548  -1.506   3.150
  320    H    GLU  45           HN       GLU  45  13.048   0.924  -0.767
  321    HA   GLU  45           HA       GLU  45  14.958   0.019   0.926
  322   1HB   GLU  45          2HB       GLU  45  16.503   1.386  -0.300
  323   2HB   GLU  45          3HB       GLU  45  15.241   0.935  -1.430
  324   1HG   GLU  45          2HG       GLU  45  14.153   3.110  -1.207
  325   2HG   GLU  45          3HG       GLU  45  15.197   3.557   0.129
  326    H    ASP  46           HN       ASP  46  12.865   2.824   1.262
  327    HA   ASP  46           HA       ASP  46  14.317   3.467   3.700
  328   1HB   ASP  46          2HB       ASP  46  13.478   5.246   1.441
  329   2HB   ASP  46          3HB       ASP  46  13.179   5.877   3.047
  330    H    CYS  47           HN       CYS  47  12.809   2.581   5.174
  331    HA   CYS  47           HA       CYS  47  10.600   3.872   5.934
  332   1HB   CYS  47          2HB       CYS  47   9.242   3.692   4.100
  333   2HB   CYS  47          3HB       CYS  47   9.959   2.187   3.560
  334    H    VAL  48           HN       VAL  48   9.668   2.773   7.762
  335    HA   VAL  48           HA       VAL  48   9.863   0.013   8.158
  336    HB   VAL  48           HB       VAL  48  12.269   0.488   8.235
  337   1HG1  VAL  48          1HG1      VAL  48  13.047   2.356   9.169
  338   2HG1  VAL  48          2HG1      VAL  48  11.426   2.751   9.785
  339   3HG1  VAL  48          3HG1      VAL  48  12.531   1.760  10.765
  340   1HG2  VAL  48          1HG2      VAL  48  12.622  -1.036   9.873
  341   2HG2  VAL  48          2HG2      VAL  48  11.715  -0.101  11.087
  342   3HG2  VAL  48          3HG2      VAL  48  10.843  -1.107   9.905
  343    H    GLY  49           HN       GLY  49   7.635   1.132   8.460
  344   1HA   GLY  49          1HA       GLY  49   5.965   1.690   9.854
  345   2HA   GLY  49          2HA       GLY  49   6.940   1.037  11.155
  346    H    CYS  50           HN       CYS  50   5.570   3.876   9.797
  347    HA   CYS  50           HA       CYS  50   6.784   5.445  11.878
  348   1HB   CYS  50          2HB       CYS  50   7.943   6.981  10.636
  349   2HB   CYS  50          3HB       CYS  50   8.229   5.551   9.665
  350    H    LYS  51           HN       LYS  51   5.801   7.946  11.218
  351    HA   LYS  51           HA       LYS  51   3.892   9.061  11.495
  352   1HB   LYS  51          2HB       LYS  51   4.159   9.121   9.088
  353   2HB   LYS  51          3HB       LYS  51   3.345   7.580   8.908
  354   1HG   LYS  51          2HG       LYS  51   1.502   8.906   8.545
  355   2HG   LYS  51          3HG       LYS  51   1.417   8.907  10.296
  356   1HD   LYS  51          2HD       LYS  51   2.918  11.003  10.248
  357   2HD   LYS  51          3HD       LYS  51   2.667  11.044   8.514
  358   1HE   LYS  51          2HE       LYS  51   0.084  10.867   9.207
  359   2HE   LYS  51          3HE       LYS  51   0.666  11.503  10.733
  360   1HZ   LYS  51          1HZ       LYS  51   0.001  13.156   8.995
  361   2HZ   LYS  51          2HZ       LYS  51   1.463  13.402   9.680
  362   3HZ   LYS  51          3HZ       LYS  51   1.362  12.762   8.181
  363    H    ARG  52           HN       ARG  52   1.971   6.561   9.891
  364    HA   ARG  52           HA       ARG  52   1.316   5.019  12.029
  365   1HB   ARG  52          2HB       ARG  52   0.347   7.572  12.542
  366   2HB   ARG  52          3HB       ARG  52  -1.044   6.827  11.780
  367   1HG   ARG  52          2HG       ARG  52  -1.505   5.640  13.656
  368   2HG   ARG  52          3HG       ARG  52   0.098   4.932  13.652
  369   1HD   ARG  52          2HD       ARG  52   0.398   7.659  14.510
  370   2HD   ARG  52          3HD       ARG  52  -0.958   6.993  15.398
  371    HE   ARG  52           HE       ARG  52   1.351   5.192  15.311
  372   1HH1  ARG  52          1HH1      ARG  52   2.174   5.784  18.650
  373   2HH1  ARG  52          2HH1      ARG  52   2.449   4.773  17.271
  374   1HH2  ARG  52          1HH2      ARG  52   0.693   7.564  18.507
  375   2HH2  ARG  52          2HH2      ARG  52  -0.139   7.882  17.022
  376    H    CYS  53           HN       CYS  53   1.713   4.488   9.376
  377    HA   CYS  53           HA       CYS  53  -0.393   4.683   7.647
  378   1HB   CYS  53          2HB       CYS  53   0.653   2.291   6.908
  379   2HB   CYS  53          3HB       CYS  53   1.359   3.842   6.500
  380    H    GLU  54           HN       GLU  54   0.449   1.468   9.070
  381    HA   GLU  54           HA       GLU  54  -0.990  -0.237   9.304
  382   1HB   GLU  54          2HB       GLU  54  -1.113   1.704  11.549
  383   2HB   GLU  54          3HB       GLU  54  -2.407   0.522  11.556
  384   1HG   GLU  54          2HG       GLU  54  -0.345  -1.159  11.031
  385   2HG   GLU  54          3HG       GLU  54   0.556   0.099  11.853
  386    H    THR  55           HN       THR  55  -2.155   0.614   7.179
  387    HA   THR  55           HA       THR  55  -4.926   0.294   7.613
  388    HB   THR  55           HB       THR  55  -4.584   2.713   8.356
  389    HG1  THR  55           1HG      THR  55  -6.634   2.626   7.524
  390   1HG2  THR  55          1HG2      THR  55  -4.468   3.572   5.506
  391   2HG2  THR  55          2HG2      THR  55  -3.713   4.311   6.939
  392   3HG2  THR  55          3HG2      THR  55  -2.929   2.932   6.132
  393    H    ALA  56           HN       ALA  56  -2.823  -1.000   6.153
  394    HA   ALA  56           HA       ALA  56  -2.733  -0.227   3.482
  395   1HB   ALA  56          1HB       ALA  56  -2.585  -3.045   4.624
  396   2HB   ALA  56          2HB       ALA  56  -1.865  -2.458   3.106
  397   3HB   ALA  56          3HB       ALA  56  -1.244  -1.875   4.669
  398    H    CYS  57           HN       CYS  57  -4.539  -3.117   4.736
  399    HA   CYS  57           HA       CYS  57  -7.041  -2.443   4.005
  400   1HB   CYS  57          2HB       CYS  57  -5.455  -2.748   1.614
  401   2HB   CYS  57          3HB       CYS  57  -6.669  -4.010   1.667
  402    HA   PRO  58           HA       PRO  58  -6.225  -6.543   5.764
  403   1HB   PRO  58          2HB       PRO  58  -7.633  -6.218   8.083
  404   2HB   PRO  58          3HB       PRO  58  -5.913  -5.907   7.954
  405   1HG   PRO  58          2HG       PRO  58  -8.140  -3.970   8.105
  406   2HG   PRO  58          3HG       PRO  58  -6.434  -3.705   8.401
  407   1HD   PRO  58          2HD       PRO  58  -7.905  -2.952   6.058
  408   2HD   PRO  58          3HD       PRO  58  -6.178  -2.792   6.307
  409    H    THR  59           HN       THR  59  -7.365  -8.410   5.495
  410    HA   THR  59           HA       THR  59  -9.120  -9.673   4.968
  411    HB   THR  59           HB       THR  59 -10.824  -7.328   5.959
  412    HG1  THR  59           1HG      THR  59  -9.447  -9.619   7.167
  413   1HG2  THR  59          1HG2      THR  59 -12.124  -9.495   6.815
  414   2HG2  THR  59          2HG2      THR  59 -12.384  -8.911   5.154
  415   3HG2  THR  59          3HG2      THR  59 -11.289 -10.283   5.454
  416    H    ASP  60           HN       ASP  60  -9.930  -6.249   4.075
  417    HA   ASP  60           HA       ASP  60 -11.470  -6.515   2.021
  418   1HB   ASP  60          2HB       ASP  60  -9.363  -4.685   2.745
  419   2HB   ASP  60          3HB       ASP  60  -9.269  -4.929   1.013
  420    H    PHE  61           HN       PHE  61  -7.950  -7.330   2.039
  421    HA   PHE  61           HA       PHE  61  -8.338  -9.176  -0.109
  422   1HB   PHE  61          2HB       PHE  61  -7.922  -6.652  -0.959
  423   2HB   PHE  61          3HB       PHE  61  -6.265  -6.965  -0.483
  424    HD1  PHE  61           1HD      PHE  61  -5.858  -9.742  -1.299
  425    HD2  PHE  61           2HD      PHE  61  -7.944  -6.618  -3.273
  426    HE1  PHE  61           1HE      PHE  61  -5.430 -10.852  -3.509
  427    HE2  PHE  61           2HE      PHE  61  -7.517  -7.729  -5.484
  428    HZ   PHE  61           HZ       PHE  61  -6.265  -9.832  -5.576
  429    H    LEU  62           HN       LEU  62  -5.925  -7.241   1.790
  430    HA   LEU  62           HA       LEU  62  -3.741  -8.755   1.657
  431   1HB   LEU  62          2HB       LEU  62  -5.020  -7.225   3.872
  432   2HB   LEU  62          3HB       LEU  62  -3.635  -8.225   4.260
  433    HG   LEU  62           HG       LEU  62  -3.410  -6.349   1.938
  434   1HD1  LEU  62          1HD1      LEU  62  -2.526  -5.013   4.322
  435   2HD1  LEU  62          2HD1      LEU  62  -3.689  -4.474   3.087
  436   3HD1  LEU  62          3HD1      LEU  62  -4.248  -5.433   4.477
  437   1HD2  LEU  62          1HD2      LEU  62  -1.417  -7.091   4.093
  438   2HD2  LEU  62          2HD2      LEU  62  -1.619  -7.984   2.567
  439   3HD2  LEU  62          3HD2      LEU  62  -1.098  -6.283   2.540
  440    H    SER  63           HN       SER  63  -3.035 -10.781   2.183
  441    HA   SER  63           HA       SER  63  -5.064 -12.515   3.297
  442   1HB   SER  63          2HB       SER  63  -2.521 -12.978   1.712
  443   2HB   SER  63          3HB       SER  63  -3.276 -14.301   2.578
  444    HG   SER  63           HG       SER  63  -4.986 -12.716   0.954
  445    H    ILE  64           HN       ILE  64  -1.512 -13.020   3.469
  446    HA   ILE  64           HA       ILE  64  -1.337 -12.266   6.210
  447    HB   ILE  64           HB       ILE  64  -0.709 -14.630   6.928
  448   1HG1  ILE  64          2HG1      ILE  64  -2.615 -15.601   4.833
  449   2HG1  ILE  64          3HG1      ILE  64  -0.941 -15.353   4.382
  450   1HG2  ILE  64          1HG2      ILE  64  -3.652 -14.390   6.391
  451   2HG2  ILE  64          2HG2      ILE  64  -2.800 -14.938   7.854
  452   3HG2  ILE  64          3HG2      ILE  64  -2.836 -13.206   7.442
  453   1HD1  ILE  64          1HD1      ILE  64  -2.035 -17.188   6.547
  454   2HD1  ILE  64          2HD1      ILE  64  -1.060 -17.624   5.123
  455   3HD1  ILE  64          3HD1      ILE  64  -0.315 -16.738   6.474
  456    H    ARG  65           HN       ARG  65   0.744 -11.670   6.617
  457    HA   ARG  65           HA       ARG  65   2.795 -12.934   5.027
  458   1HB   ARG  65          2HB       ARG  65   2.221  -9.941   5.112
  459   2HB   ARG  65          3HB       ARG  65   3.813 -10.546   4.704
  460   1HG   ARG  65          2HG       ARG  65   1.528 -11.816   3.240
  461   2HG   ARG  65          3HG       ARG  65   1.832 -10.131   2.861
  462   1HD   ARG  65          2HD       ARG  65   3.289 -11.124   1.341
  463   2HD   ARG  65          3HD       ARG  65   4.379 -10.959   2.704
  464    HE   ARG  65           HE       ARG  65   3.135 -13.432   3.101
  465   1HH1  ARG  65          1HH1      ARG  65   5.112 -15.450   1.051
  466   2HH1  ARG  65          2HH1      ARG  65   4.006 -15.420   2.384
  467   1HH2  ARG  65          1HH2      ARG  65   5.710 -13.472  -0.006
  468   2HH2  ARG  65          2HH2      ARG  65   5.050 -11.965   0.538
  469    H    VAL  66           HN       VAL  66   1.861 -10.628   7.646
  470    HA   VAL  66           HA       VAL  66   2.679 -10.284   9.670
  471    HB   VAL  66           HB       VAL  66   4.212 -12.838   9.143
  472   1HG1  VAL  66          1HG1      VAL  66   3.718 -11.379  11.761
  473   2HG1  VAL  66          2HG1      VAL  66   4.477 -12.979  11.587
  474   3HG1  VAL  66          3HG1      VAL  66   5.280 -11.536  10.922
  475   1HG2  VAL  66          1HG2      VAL  66   1.508 -12.246  10.355
  476   2HG2  VAL  66          2HG2      VAL  66   1.926 -13.382   9.050
  477   3HG2  VAL  66          3HG2      VAL  66   2.396 -13.743  10.729
  478    H    TYR  67           HN       TYR  67   3.691  -8.317   9.260
  479    HA   TYR  67           HA       TYR  67   6.585  -8.466   9.139
  480   1HB   TYR  67          2HB       TYR  67   4.687  -7.640   6.982
  481   2HB   TYR  67          3HB       TYR  67   5.848  -6.382   7.355
  482    HD1  TYR  67           HD1      TYR  67   7.985  -6.433   6.392
  483    HD2  TYR  67           HD2      TYR  67   5.651 -10.017   6.485
  484    HE1  TYR  67           HE1      TYR  67   9.711  -7.602   4.938
  485    HE2  TYR  67           HE2      TYR  67   7.384 -11.174   5.029
  486    HH   TYR  67           HH       TYR  67  10.242 -10.467   4.726
  487    H    LEU  68           HN       LEU  68   3.595  -6.435   9.250
  488    HA   LEU  68           HA       LEU  68   4.523  -4.067  10.048
  489   1HB   LEU  68          2HB       LEU  68   2.103  -5.633  10.510
  490   2HB   LEU  68          3HB       LEU  68   2.408  -4.471  11.785
  491    HG   LEU  68           HG       LEU  68   1.957  -3.952   8.847
  492   1HD1  LEU  68          1HD1      LEU  68   0.599  -2.879  11.335
  493   2HD1  LEU  68          2HD1      LEU  68   0.158  -2.519   9.649
  494   3HD1  LEU  68          3HD1      LEU  68  -0.021  -4.173  10.281
  495   1HD2  LEU  68          1HD2      LEU  68   2.313  -1.475   9.603
  496   2HD2  LEU  68          2HD2      LEU  68   3.337  -2.208  10.862
  497   3HD2  LEU  68          3HD2      LEU  68   3.708  -2.482   9.143
  498    H    GLY  69           HN       GLY  69   3.946  -6.857  12.305
  499   1HA   GLY  69          1HA       GLY  69   5.734  -5.509  14.232
  500   2HA   GLY  69          2HA       GLY  69   4.456  -6.639  14.636
  501    H    ALA  70           HN       ALA  70   7.611  -6.347  12.898
  502    HA   ALA  70           HA       ALA  70   8.567  -8.740  14.044
  503   1HB   ALA  70          1HB       ALA  70   7.192  -9.942  12.523
  504   2HB   ALA  70          2HB       ALA  70   7.550  -8.824  11.187
  505   3HB   ALA  70          3HB       ALA  70   8.809  -9.934  11.779
  506    H    GLU  71           HN       GLU  71   8.765  -6.632  11.092
  507    HA   GLU  71           HA       GLU  71  11.327  -6.802  10.493
  508   1HB   GLU  71          2HB       GLU  71   9.466  -4.423  10.589
  509   2HB   GLU  71          3HB       GLU  71  11.136  -4.174  10.117
  510   1HG   GLU  71          2HG       GLU  71   9.731  -6.476   8.805
  511   2HG   GLU  71          3HG       GLU  71   9.168  -4.877   8.359
  512    H    THR  72           HN       THR  72  10.144  -4.288  12.854
  513    HA   THR  72           HA       THR  72  12.130  -4.883  14.762
  514    HB   THR  72           HB       THR  72  13.599  -3.907  12.963
  515    HG1  THR  72           1HG      THR  72  14.440  -2.279  14.512
  516   1HG2  THR  72          1HG2      THR  72  12.692  -2.148  11.781
  517   2HG2  THR  72          2HG2      THR  72  11.495  -1.805  13.053
  518   3HG2  THR  72          3HG2      THR  72  13.152  -1.170  13.195
  519    H    THR  73           HN       THR  73   9.490  -4.788  15.120
  520    HA   THR  73           HA       THR  73   8.670  -2.121  15.857
  521    HB   THR  73           HB       THR  73   7.463  -4.919  15.919
  522    HG1  THR  73           1HG      THR  73   7.669  -3.351  14.002
  523   1HG2  THR  73          1HG2      THR  73   6.661  -2.526  17.480
  524   2HG2  THR  73          2HG2      THR  73   5.391  -3.101  16.374
  525   3HG2  THR  73          3HG2      THR  73   6.067  -4.199  17.601
  526    H    ARG  74           HN       ARG  74   9.731  -5.136  17.512
  527    HA   ARG  74           HA       ARG  74   9.421  -3.804  20.030
  528   1HB   ARG  74          2HB       ARG  74  10.107  -5.977  21.001
  529   2HB   ARG  74          3HB       ARG  74   8.856  -6.224  19.800
  530   1HG   ARG  74          2HG       ARG  74  11.541  -6.281  18.593
  531   2HG   ARG  74          3HG       ARG  74  11.383  -7.472  19.869
  532   1HD   ARG  74          2HD       ARG  74   9.128  -7.241  17.874
  533   2HD   ARG  74          3HD       ARG  74  10.614  -8.004  17.345
  534    HE   ARG  74           HE       ARG  74   8.721  -9.046  19.344
  535   1HH1  ARG  74          1HH1      ARG  74  10.568 -11.976  19.772
  536   2HH1  ARG  74          2HH1      ARG  74   9.067 -11.175  20.098
  537   1HH2  ARG  74          1HH2      ARG  74  12.228 -10.885  18.573
  538   2HH2  ARG  74          2HH2      ARG  74  11.966  -9.270  18.001
  539    H    SER  75           HN       SER  75  11.821  -4.249  17.565
  540    HA   SER  75           HA       SER  75  14.015  -3.982  19.405
  541   1HB   SER  75          2HB       SER  75  13.645  -4.899  16.671
  542   2HB   SER  75          3HB       SER  75  14.904  -3.680  16.708
  543    HG   SER  75           HG       SER  75  16.221  -5.080  17.642
  544    H    MET  76           HN       MET  76  11.732  -1.942  18.027
  545    HA   MET  76           HA       MET  76  13.430   0.156  17.195
  546   1HB   MET  76          2HB       MET  76  10.519  -0.401  17.505
  547   2HB   MET  76          3HB       MET  76  10.925   1.278  17.804
  548   1HG   MET  76          2HG       MET  76  12.208   0.054  15.389
  549   2HG   MET  76          3HG       MET  76  10.469   0.246  15.303
  550   1HE   MET  76          1HE       MET  76  12.237   1.248  13.473
  551   2HE   MET  76          2HE       MET  76  11.467   2.819  13.142
  552   3HE   MET  76          3HE       MET  76  13.146   2.757  13.729
  553    H    GLY  77           HN       GLY  77  14.767   1.167  18.646
  554   1HA   GLY  77          1HA       GLY  77  15.031   2.790  20.299
  555   2HA   GLY  77          2HA       GLY  77  13.522   2.302  21.045
  556    H    LEU  78           HN       LEU  78  14.990  -0.583  20.241
  557    HA   LEU  78           HA       LEU  78  16.292  -0.725  22.871
  558   1HB   LEU  78          2HB       LEU  78  14.758  -2.279  23.248
  559   2HB   LEU  78          3HB       LEU  78  14.295  -2.376  21.560
  560    HG   LEU  78           HG       LEU  78  15.063  -4.530  22.414
  561   1HD1  LEU  78          1HD1      LEU  78  15.895  -5.077  20.418
  562   2HD1  LEU  78          2HD1      LEU  78  15.790  -3.343  20.027
  563   3HD1  LEU  78          3HD1      LEU  78  17.319  -4.031  20.627
  564   1HD2  LEU  78          1HD2      LEU  78  16.854  -4.824  23.700
  565   2HD2  LEU  78          2HD2      LEU  78  17.908  -3.941  22.569
  566   3HD2  LEU  78          3HD2      LEU  78  16.971  -3.050  23.793
  567    H    ALA  79           HN       ALA  79  16.484  -1.387  19.374
  568    HA   ALA  79           HA       ALA  79  19.302  -2.115  19.796
  569   1HB   ALA  79          1HB       ALA  79  18.869  -4.029  18.708
  570   2HB   ALA  79          2HB       ALA  79  17.168  -3.552  18.497
  571   3HB   ALA  79          3HB       ALA  79  18.380  -3.084  17.280
  572    H    TYR  80           HN       TYR  80  16.830  -0.271  18.016
  573    HA   TYR  80           HA       TYR  80  16.967   1.432  16.602
  574   1HB   TYR  80          2HB       TYR  80  19.788   1.634  17.830
  575   2HB   TYR  80          3HB       TYR  80  18.959   2.950  17.022
  576    HD1  TYR  80           HD1      TYR  80  18.852   0.743  20.017
  577    HD2  TYR  80           HD2      TYR  80  17.428   4.344  18.195
  578    HE1  TYR  80           HE1      TYR  80  17.837   1.471  22.232
  579    HE2  TYR  80           HE2      TYR  80  16.419   5.060  20.417
  580    HH   TYR  80           HH       TYR  80  17.244   4.133  23.150
  Start of MODEL   30
    1    H    SER   1           HN       SER   1  -5.323  -0.399   9.499
    2    HA   SER   1           HA       SER   1  -5.729  -1.286  11.466
    3   1HB   SER   1          2HB       SER   1  -7.220  -3.048   9.849
    4   2HB   SER   1          3HB       SER   1  -6.198  -4.108  10.799
    5    HG   SER   1           HG       SER   1  -6.976  -3.021  12.738
    6    H    HIS   2           HN       HIS   2  -4.199  -3.687   9.203
    7    HA   HIS   2           HA       HIS   2  -1.745  -3.492  10.635
    8   1HB   HIS   2          2HB       HIS   2  -1.647  -5.968  11.131
    9   2HB   HIS   2          3HB       HIS   2  -2.668  -5.003  12.180
   10    HD1  HIS   2           HD1      HIS   2  -4.349  -6.789  12.849
   11    HD2  HIS   2           HD2      HIS   2  -3.911  -6.427   8.693
   12    HE1  HIS   2           HE1      HIS   2  -6.185  -8.225  11.809
   13    H    SER   3           HN       SER   3  -0.053  -4.985   9.572
   14    HA   SER   3           HA       SER   3   0.998  -5.618   7.785
   15   1HB   SER   3          2HB       SER   3  -0.064  -7.105   6.222
   16   2HB   SER   3          3HB       SER   3  -0.823  -7.386   7.776
   17    HG   SER   3           HG       SER   3  -2.265  -7.125   5.809
   18    H    VAL   4           HN       VAL   4   1.707  -4.812   5.705
   19    HA   VAL   4           HA       VAL   4   0.107  -3.260   4.031
   20    HB   VAL   4           HB       VAL   4   0.103  -1.731   5.965
   21   1HG1  VAL   4          1HG1      VAL   4   2.534  -2.476   6.602
   22   2HG1  VAL   4          2HG1      VAL   4   3.020  -1.157   5.511
   23   3HG1  VAL   4          3HG1      VAL   4   1.999  -0.809   6.927
   24   1HG2  VAL   4          1HG2      VAL   4   1.436  -0.906   3.387
   25   2HG2  VAL   4          2HG2      VAL   4  -0.240  -0.636   3.926
   26   3HG2  VAL   4          3HG2      VAL   4   1.093   0.281   4.669
   27    H    LYS   5           HN       LYS   5   1.632  -5.312   3.358
   28    HA   LYS   5           HA       LYS   5   4.304  -4.383   2.732
   29   1HB   LYS   5          2HB       LYS   5   2.934  -6.961   2.992
   30   2HB   LYS   5          3HB       LYS   5   3.955  -6.880   1.571
   31   1HG   LYS   5          2HG       LYS   5   5.514  -5.659   3.572
   32   2HG   LYS   5          3HG       LYS   5   4.719  -6.973   4.416
   33   1HD   LYS   5          2HD       LYS   5   6.724  -7.936   3.545
   34   2HD   LYS   5          3HD       LYS   5   5.455  -8.505   2.477
   35   1HE   LYS   5          2HE       LYS   5   6.245  -7.308   0.677
   36   2HE   LYS   5          3HE       LYS   5   6.639  -5.905   1.651
   37   1HZ   LYS   5          1HZ       LYS   5   8.717  -6.580   1.752
   38   2HZ   LYS   5          2HZ       LYS   5   8.310  -8.053   2.329
   39   3HZ   LYS   5          3HZ       LYS   5   8.376  -7.796   0.717
   40    H    ILE   6           HN       ILE   6   4.879  -5.416   0.283
   41    HA   ILE   6           HA       ILE   6   3.490  -3.579  -1.416
   42    HB   ILE   6           HB       ILE   6   5.666  -5.593  -1.991
   43   1HG1  ILE   6          2HG1      ILE   6   6.988  -3.318  -2.066
   44   2HG1  ILE   6          3HG1      ILE   6   5.695  -2.747  -1.030
   45   1HG2  ILE   6          1HG2      ILE   6   5.860  -4.784  -4.113
   46   2HG2  ILE   6          2HG2      ILE   6   4.106  -4.580  -3.886
   47   3HG2  ILE   6          3HG2      ILE   6   5.197  -3.187  -3.691
   48   1HD1  ILE   6          1HD1      ILE   6   6.314  -4.102   0.742
   49   2HD1  ILE   6          2HD1      ILE   6   6.907  -5.400  -0.320
   50   3HD1  ILE   6          3HD1      ILE   6   7.902  -3.950  -0.045
   51    H    TYR   7           HN       TYR   7   1.352  -4.752  -0.843
   52    HA   TYR   7           HA       TYR   7   1.014  -7.062  -2.630
   53   1HB   TYR   7          2HB       TYR   7  -0.247  -5.961  -0.074
   54   2HB   TYR   7          3HB       TYR   7  -1.223  -6.997  -1.097
   55    HD1  TYR   7           HD1      TYR   7  -1.468  -8.937   0.215
   56    HD2  TYR   7           HD2      TYR   7   2.434  -7.293  -0.393
   57    HE1  TYR   7           HE1      TYR   7  -0.427 -10.984   1.306
   58    HE2  TYR   7           HE2      TYR   7   3.462  -9.346   0.700
   59    HH   TYR   7           HH       TYR   7   2.373 -11.125   2.567
   60    H    ASP   8           HN       ASP   8  -1.172  -7.198  -3.723
   61    HA   ASP   8           HA       ASP   8  -1.686  -4.630  -4.891
   62   1HB   ASP   8          2HB       ASP   8  -3.306  -6.089  -6.320
   63   2HB   ASP   8          3HB       ASP   8  -1.582  -6.338  -6.518
   64    H    THR   9           HN       THR   9  -2.482  -4.752  -2.160
   65    HA   THR   9           HA       THR   9  -5.340  -5.340  -2.160
   66    HB   THR   9           HB       THR   9  -3.766  -6.118  -0.319
   67    HG1  THR   9           1HG      THR   9  -5.298  -5.199   1.314
   68   1HG2  THR   9          1HG2      THR   9  -2.605  -4.631   1.024
   69   2HG2  THR   9          2HG2      THR   9  -2.677  -3.584  -0.414
   70   3HG2  THR   9          3HG2      THR   9  -3.870  -3.385   0.892
   71    H    CYS  10           HN       CYS  10  -6.389  -3.785  -3.338
   72    HA   CYS  10           HA       CYS  10  -6.547  -1.236  -2.049
   73   1HB   CYS  10          2HB       CYS  10  -4.553  -1.079  -3.664
   74   2HB   CYS  10          3HB       CYS  10  -5.727  -1.194  -4.961
   75    H    ILE  11           HN       ILE  11  -8.607  -0.311  -2.465
   76    HA   ILE  11           HA       ILE  11 -10.270  -1.854  -4.333
   77    HB   ILE  11           HB       ILE  11 -12.147  -1.432  -2.870
   78   1HG1  ILE  11          2HG1      ILE  11 -11.299  -0.583  -0.450
   79   2HG1  ILE  11          3HG1      ILE  11 -10.207   0.333  -1.469
   80   1HG2  ILE  11          1HG2      ILE  11 -10.096  -3.223  -2.432
   81   2HG2  ILE  11          2HG2      ILE  11 -10.336  -2.489  -0.829
   82   3HG2  ILE  11          3HG2      ILE  11 -11.703  -3.259  -1.668
   83   1HD1  ILE  11          1HD1      ILE  11 -13.231   0.417  -1.376
   84   2HD1  ILE  11          2HD1      ILE  11 -12.069   1.764  -1.325
   85   3HD1  ILE  11          3HD1      ILE  11 -12.377   0.913  -2.858
   86    H    GLY  12           HN       GLY  12  -8.691   1.080  -3.747
   87   1HA   GLY  12          1HA       GLY  12  -8.904   2.648  -5.613
   88   2HA   GLY  12          2HA       GLY  12 -10.643   2.523  -5.440
   89    H    CYS  13           HN       CYS  13  -9.502   2.272  -2.315
   90    HA   CYS  13           HA       CYS  13 -10.273   4.959  -1.746
   91   1HB   CYS  13          2HB       CYS  13 -10.872   4.014   0.179
   92   2HB   CYS  13          3HB       CYS  13 -10.151   2.497  -0.319
   93    H    THR  14           HN       THR  14  -8.762   6.239  -0.119
   94    HA   THR  14           HA       THR  14  -5.947   5.863  -0.867
   95    HB   THR  14           HB       THR  14  -6.619   7.590  -2.374
   96    HG1  THR  14           1HG      THR  14  -4.951   8.052  -0.509
   97   1HG2  THR  14          1HG2      THR  14  -7.857   9.663  -1.299
   98   2HG2  THR  14          2HG2      THR  14  -8.827   8.244  -1.763
   99   3HG2  THR  14          3HG2      THR  14  -8.375   8.494  -0.060
  100    H    GLN  15           HN       GLN  15  -5.934   4.780   1.261
  101    HA   GLN  15           HA       GLN  15  -5.968   6.789   3.377
  102   1HB   GLN  15          2HB       GLN  15  -6.464   4.994   4.957
  103   2HB   GLN  15          3HB       GLN  15  -7.639   4.955   3.658
  104   1HG   GLN  15          2HG       GLN  15  -6.251   3.168   2.517
  105   2HG   GLN  15          3HG       GLN  15  -5.177   3.164   3.901
  106   1HE2  GLN  15          1HE2      GLN  15  -5.613   1.047   4.406
  107   2HE2  GLN  15          2HE2      GLN  15  -7.101   0.513   5.113
  108    H    CYS  16           HN       CYS  16  -4.300   3.842   2.095
  109    HA   CYS  16           HA       CYS  16  -2.063   4.288   3.835
  110   1HB   CYS  16          2HB       CYS  16  -1.177   2.265   2.980
  111   2HB   CYS  16          3HB       CYS  16  -2.902   2.003   3.136
  112    H    VAL  17           HN       VAL  17  -3.144   6.159   1.497
  113    HA   VAL  17           HA       VAL  17  -0.518   6.474   0.215
  114    HB   VAL  17           HB       VAL  17  -3.213   7.189  -0.949
  115   1HG1  VAL  17          1HG1      VAL  17  -2.032   8.269  -2.500
  116   2HG1  VAL  17          2HG1      VAL  17  -0.516   7.831  -1.675
  117   3HG1  VAL  17          3HG1      VAL  17  -1.200   6.753  -2.917
  118   1HG2  VAL  17          1HG2      VAL  17  -2.299   4.609  -0.548
  119   2HG2  VAL  17          2HG2      VAL  17  -3.489   5.118  -1.770
  120   3HG2  VAL  17          3HG2      VAL  17  -1.771   4.967  -2.211
  121    H    ARG  18           HN       ARG  18  -2.237   7.581   2.708
  122    HA   ARG  18           HA       ARG  18  -1.417  10.310   2.149
  123   1HB   ARG  18          2HB       ARG  18  -4.116   9.326   2.756
  124   2HB   ARG  18          3HB       ARG  18  -3.595  10.477   3.971
  125   1HG   ARG  18          2HG       ARG  18  -4.663  11.754   2.223
  126   2HG   ARG  18          3HG       ARG  18  -2.943  12.067   2.093
  127   1HD   ARG  18          2HD       ARG  18  -3.362   9.773   0.484
  128   2HD   ARG  18          3HD       ARG  18  -4.745  10.799   0.152
  129    HE   ARG  18           HE       ARG  18  -2.156  12.205   0.137
  130   1HH1  ARG  18          1HH1      ARG  18  -2.289  12.697  -3.315
  131   2HH1  ARG  18          2HH1      ARG  18  -1.483  13.126  -1.842
  132   1HH2  ARG  18          1HH2      ARG  18  -4.052  11.188  -3.276
  133   2HH2  ARG  18          2HH2      ARG  18  -4.561  10.490  -1.775
  134    H    ALA  19           HN       ALA  19  -2.704   8.136   4.781
  135    HA   ALA  19           HA       ALA  19  -1.737   9.356   6.966
  136   1HB   ALA  19          1HB       ALA  19  -1.834   7.218   8.036
  137   2HB   ALA  19          2HB       ALA  19  -3.060   7.184   6.745
  138   3HB   ALA  19          3HB       ALA  19  -1.497   6.363   6.512
  139    H    CYS  20           HN       CYS  20   0.122   7.025   4.888
  140    HA   CYS  20           HA       CYS  20   2.446   6.934   6.204
  141   1HB   CYS  20          2HB       CYS  20   2.137   5.682   4.181
  142   2HB   CYS  20          3HB       CYS  20   1.986   7.138   3.217
  143    HA   PRO  21           HA       PRO  21   3.453  11.243   6.264
  144   1HB   PRO  21          2HB       PRO  21   5.375  11.103   8.201
  145   2HB   PRO  21          3HB       PRO  21   3.669  11.294   8.556
  146   1HG   PRO  21          2HG       PRO  21   5.360   8.886   8.829
  147   2HG   PRO  21          3HG       PRO  21   3.802   9.221   9.558
  148   1HD   PRO  21          2HD       PRO  21   4.314   7.506   7.316
  149   2HD   PRO  21          3HD       PRO  21   2.747   7.934   7.972
  150    H    LEU  22           HN       LEU  22   5.875   8.704   6.177
  151    HA   LEU  22           HA       LEU  22   7.935  10.289   5.198
  152   1HB   LEU  22          2HB       LEU  22   7.545   7.644   5.910
  153   2HB   LEU  22          3HB       LEU  22   7.901   7.547   4.196
  154    HG   LEU  22           HG       LEU  22   9.824   9.317   5.211
  155   1HD1  LEU  22          1HD1      LEU  22  10.875   8.062   7.045
  156   2HD1  LEU  22          2HD1      LEU  22   9.267   8.680   7.490
  157   3HD1  LEU  22          3HD1      LEU  22   9.479   6.960   7.084
  158   1HD2  LEU  22          1HD2      LEU  22   9.682   6.691   3.948
  159   2HD2  LEU  22          2HD2      LEU  22  10.828   8.029   3.695
  160   3HD2  LEU  22          3HD2      LEU  22  11.096   6.866   5.016
  161    H    ASP  23           HN       ASP  23   5.112   8.797   3.617
  162    HA   ASP  23           HA       ASP  23   4.211   9.207   1.676
  163   1HB   ASP  23          2HB       ASP  23   5.249  11.571   1.999
  164   2HB   ASP  23          3HB       ASP  23   6.530  11.038   0.930
  165    H    VAL  24           HN       VAL  24   5.294   6.866   1.639
  166    HA   VAL  24           HA       VAL  24   7.274   6.782  -0.531
  167    HB   VAL  24           HB       VAL  24   7.995   5.940   1.693
  168   1HG1  VAL  24          1HG1      VAL  24   6.087   3.631   1.270
  169   2HG1  VAL  24          2HG1      VAL  24   7.058   4.025   2.708
  170   3HG1  VAL  24          3HG1      VAL  24   5.666   5.043   2.268
  171   1HG2  VAL  24          1HG2      VAL  24   8.804   5.077  -0.594
  172   2HG2  VAL  24          2HG2      VAL  24   9.153   4.082   0.839
  173   3HG2  VAL  24          3HG2      VAL  24   7.820   3.633  -0.251
  174    H    LEU  25           HN       LEU  25   4.321   5.234   0.878
  175    HA   LEU  25           HA       LEU  25   3.836   3.390  -1.074
  176   1HB   LEU  25          2HB       LEU  25   2.018   5.035   0.667
  177   2HB   LEU  25          3HB       LEU  25   1.378   3.858  -0.463
  178    HG   LEU  25           HG       LEU  25   3.281   2.380   0.870
  179   1HD1  LEU  25          1HD1      LEU  25   3.647   4.277   2.437
  180   2HD1  LEU  25          2HD1      LEU  25   1.949   4.132   2.951
  181   3HD1  LEU  25          3HD1      LEU  25   3.082   2.788   3.231
  182   1HD2  LEU  25          1HD2      LEU  25   1.479   1.161   1.751
  183   2HD2  LEU  25          2HD2      LEU  25   0.429   2.596   1.832
  184   3HD2  LEU  25          3HD2      LEU  25   0.851   1.890   0.254
  185    H    GLU  26           HN       GLU  26   4.082   3.764  -3.228
  186    HA   GLU  26           HA       GLU  26   2.682   6.111  -4.251
  187   1HB   GLU  26          2HB       GLU  26   5.082   4.681  -5.475
  188   2HB   GLU  26          3HB       GLU  26   4.305   6.112  -6.120
  189   1HG   GLU  26          2HG       GLU  26   4.887   6.713  -3.392
  190   2HG   GLU  26          3HG       GLU  26   6.315   5.912  -4.018
  191    H    MET  27           HN       MET  27   2.733   5.419  -7.009
  192    HA   MET  27           HA       MET  27   0.779   3.292  -6.941
  193   1HB   MET  27          2HB       MET  27   0.287   4.136  -9.288
  194   2HB   MET  27          3HB       MET  27   0.136   5.386  -8.069
  195   1HG   MET  27          2HG       MET  27   1.830   6.617  -8.976
  196   2HG   MET  27          3HG       MET  27   2.893   5.227  -9.071
  197   1HE   MET  27          1HE       MET  27   0.627   7.547 -10.389
  198   2HE   MET  27          2HE       MET  27   1.547   7.719 -11.903
  199   3HE   MET  27          3HE       MET  27  -0.061   6.955 -11.920
  200    H    VAL  28           HN       VAL  28   1.042   1.298  -7.934
  201    HA   VAL  28           HA       VAL  28   3.512   0.957  -9.488
  202    HB   VAL  28           HB       VAL  28   4.099  -0.930  -8.343
  203   1HG1  VAL  28          1HG1      VAL  28   3.948  -0.492  -5.932
  204   2HG1  VAL  28          2HG1      VAL  28   4.276   1.005  -6.838
  205   3HG1  VAL  28          3HG1      VAL  28   2.639   0.679  -6.219
  206   1HG2  VAL  28          1HG2      VAL  28   1.921  -2.080  -8.654
  207   2HG2  VAL  28          2HG2      VAL  28   2.627  -2.359  -7.043
  208   3HG2  VAL  28          3HG2      VAL  28   1.284  -1.207  -7.239
  209    HA   PRO  29           HA       PRO  29   1.018  -1.082 -12.374
  210   1HB   PRO  29          2HB       PRO  29   2.529  -3.177 -13.264
  211   2HB   PRO  29          3HB       PRO  29   2.782  -1.524 -13.786
  212   1HG   PRO  29          2HG       PRO  29   4.384  -3.135 -11.897
  213   2HG   PRO  29          3HG       PRO  29   4.835  -1.671 -12.747
  214   1HD   PRO  29          2HD       PRO  29   4.093  -1.892  -9.985
  215   2HD   PRO  29          3HD       PRO  29   4.431  -0.415 -10.864
  216    H    TRP  30           HN       TRP  30  -0.906  -1.954 -11.976
  217    HA   TRP  30           HA       TRP  30  -0.779  -4.580 -10.659
  218   1HB   TRP  30          2HB       TRP  30  -1.489  -2.976  -9.017
  219   2HB   TRP  30          3HB       TRP  30  -2.679  -2.297 -10.110
  220    HD1  TRP  30           HD1      TRP  30  -5.026  -3.035  -9.241
  221    HE1  TRP  30           HE1      TRP  30  -6.209  -5.211  -8.332
  222    HE3  TRP  30           HE3      TRP  30  -0.866  -5.959  -9.309
  223    HZ2  TRP  30           HZ2      TRP  30  -5.293  -7.852  -7.756
  224    HZ3  TRP  30           HZ3      TRP  30  -1.097  -8.324  -8.556
  225    HH2  TRP  30           HH2      TRP  30  -3.215  -9.280  -7.799
  226    H    ASP  31           HN       ASP  31  -3.941  -3.442 -11.255
  227    HA   ASP  31           HA       ASP  31  -4.316  -3.605 -13.905
  228   1HB   ASP  31          2HB       ASP  31  -3.379  -6.105 -13.093
  229   2HB   ASP  31          3HB       ASP  31  -5.115  -6.340 -13.068
  230    H    GLY  32           HN       GLY  32  -5.467  -5.329 -10.903
  231   1HA   GLY  32          1HA       GLY  32  -8.204  -5.184 -11.391
  232   2HA   GLY  32          2HA       GLY  32  -7.435  -5.321  -9.822
  233    H    CYS  33           HN       CYS  33  -5.953  -2.625 -10.836
  234    HA   CYS  33           HA       CYS  33  -7.786  -0.945  -9.418
  235   1HB   CYS  33          2HB       CYS  33  -4.965  -0.857 -10.200
  236   2HB   CYS  33          3HB       CYS  33  -5.765   0.687 -10.422
  237    HG   CYS  33           HG       CYS  33  -6.539  -1.028  -7.764
  238    H    LYS  34           HN       LYS  34  -8.626   1.116 -10.363
  239    HA   LYS  34           HA       LYS  34  -9.885   0.708 -12.799
  240   1HB   LYS  34          2HB       LYS  34 -10.061   2.507 -10.705
  241   2HB   LYS  34          3HB       LYS  34  -9.522   3.519 -12.030
  242   1HG   LYS  34          2HG       LYS  34 -11.381   2.419 -13.452
  243   2HG   LYS  34          3HG       LYS  34 -11.991   1.732 -11.959
  244   1HD   LYS  34          2HD       LYS  34 -13.216   3.687 -11.922
  245   2HD   LYS  34          3HD       LYS  34 -11.776   4.298 -11.133
  246   1HE   LYS  34          2HE       LYS  34 -10.899   5.005 -13.416
  247   2HE   LYS  34          3HE       LYS  34 -12.434   4.522 -14.107
  248   1HZ   LYS  34          1HZ       LYS  34 -13.409   6.329 -13.305
  249   2HZ   LYS  34          2HZ       LYS  34 -12.695   6.230 -11.840
  250   3HZ   LYS  34          3HZ       LYS  34 -11.907   6.932 -13.086
  251    H    ALA  35           HN       ALA  35  -6.667   1.906 -11.998
  252    HA   ALA  35           HA       ALA  35  -6.288   2.537 -14.846
  253   1HB   ALA  35          1HB       ALA  35  -5.706   4.565 -14.024
  254   2HB   ALA  35          2HB       ALA  35  -5.577   3.953 -12.358
  255   3HB   ALA  35          3HB       ALA  35  -4.213   3.760 -13.486
  256    H    GLY  36           HN       GLY  36  -6.166  -0.088 -13.284
  257   1HA   GLY  36          1HA       GLY  36  -4.817  -1.878 -13.085
  258   2HA   GLY  36          2HA       GLY  36  -4.063  -1.294 -14.556
  259    H    GLN  37           HN       GLN  37  -4.111   0.395 -11.372
  260    HA   GLN  37           HA       GLN  37  -1.337  -0.325 -11.005
  261   1HB   GLN  37          2HB       GLN  37  -0.758   2.104 -10.563
  262   2HB   GLN  37          3HB       GLN  37  -1.089   1.725 -12.240
  263   1HG   GLN  37          2HG       GLN  37  -2.684   3.333 -12.255
  264   2HG   GLN  37          3HG       GLN  37  -3.616   2.382 -11.115
  265   1HE2  GLN  37          1HE2      GLN  37  -3.820   3.010  -9.060
  266   2HE2  GLN  37          2HE2      GLN  37  -3.089   4.411  -8.353
  267    H    ILE  38           HN       ILE  38  -1.095  -0.983  -8.916
  268    HA   ILE  38           HA       ILE  38  -3.125  -0.116  -7.009
  269    HB   ILE  38           HB       ILE  38  -2.570  -2.554  -7.500
  270   1HG1  ILE  38          2HG1      ILE  38  -2.351  -2.741  -4.728
  271   2HG1  ILE  38          3HG1      ILE  38  -3.107  -1.180  -4.978
  272   1HG2  ILE  38          1HG2      ILE  38  -0.111  -1.795  -5.906
  273   2HG2  ILE  38          2HG2      ILE  38  -0.681  -3.466  -6.132
  274   3HG2  ILE  38          3HG2      ILE  38  -0.181  -2.497  -7.539
  275   1HD1  ILE  38          1HD1      ILE  38  -4.807  -2.978  -4.821
  276   2HD1  ILE  38          2HD1      ILE  38  -4.832  -2.223  -6.433
  277   3HD1  ILE  38          3HD1      ILE  38  -4.059  -3.810  -6.204
  278    H    ALA  39           HN       ALA  39  -2.615   0.923  -5.054
  279    HA   ALA  39           HA       ALA  39  -0.210   2.473  -5.170
  280   1HB   ALA  39          1HB       ALA  39  -2.717   2.358  -3.537
  281   2HB   ALA  39          2HB       ALA  39  -1.290   3.121  -2.796
  282   3HB   ALA  39          3HB       ALA  39  -1.936   3.745  -4.333
  283    H    SER  40           HN       SER  40   1.701   1.489  -4.688
  284    HA   SER  40           HA       SER  40   1.845   0.233  -2.103
  285   1HB   SER  40          2HB       SER  40   2.533  -1.175  -4.708
  286   2HB   SER  40          3HB       SER  40   3.250  -1.664  -3.186
  287    HG   SER  40           HG       SER  40   1.419  -2.623  -2.609
  288    H    SER  41           HN       SER  41   4.443  -0.578  -1.991
  289    HA   SER  41           HA       SER  41   5.903   1.745  -2.984
  290   1HB   SER  41          2HB       SER  41   6.154   0.266  -0.334
  291   2HB   SER  41          3HB       SER  41   7.386   1.370  -0.915
  292    HG   SER  41           HG       SER  41   5.202   2.006   0.459
  293    HA   PRO  42           HA       PRO  42   8.059  -1.663  -4.839
  294   1HB   PRO  42          2HB       PRO  42   9.208  -0.242  -6.872
  295   2HB   PRO  42          3HB       PRO  42   7.621  -0.973  -6.992
  296   1HG   PRO  42          2HG       PRO  42   8.324   1.874  -6.628
  297   2HG   PRO  42          3HG       PRO  42   6.809   1.178  -7.169
  298   1HD   PRO  42          2HD       PRO  42   7.376   2.246  -4.567
  299   2HD   PRO  42          3HD       PRO  42   5.901   1.445  -5.073
  300    H    ARG  43           HN       ARG  43   9.612   1.494  -4.516
  301    HA   ARG  43           HA       ARG  43  12.043   0.070  -3.898
  302   1HB   ARG  43          2HB       ARG  43  11.652   3.094  -4.082
  303   2HB   ARG  43          3HB       ARG  43  13.165   2.217  -4.187
  304   1HG   ARG  43          2HG       ARG  43  10.922   1.716  -6.180
  305   2HG   ARG  43          3HG       ARG  43  12.055   3.032  -6.408
  306   1HD   ARG  43          2HD       ARG  43  13.398   1.503  -7.439
  307   2HD   ARG  43          3HD       ARG  43  13.758   0.901  -5.833
  308    HE   ARG  43           HE       ARG  43  12.482  -1.000  -6.297
  309   1HH1  ARG  43          1HH1      ARG  43  10.249  -1.691  -8.889
  310   2HH1  ARG  43          2HH1      ARG  43  11.100  -2.341  -7.528
  311   1HH2  ARG  43          1HH2      ARG  43  10.511   0.542  -9.463
  312   2HH2  ARG  43          2HH2      ARG  43  11.558   1.559  -8.530
  313    H    THR  44           HN       THR  44  11.289  -0.727  -1.772
  314    HA   THR  44           HA       THR  44  10.698   1.294   0.231
  315    HB   THR  44           HB       THR  44  10.866  -1.763   0.370
  316    HG1  THR  44           1HG      THR  44   8.748   0.236  -0.010
  317   1HG2  THR  44          1HG2      THR  44  10.033  -1.613   2.513
  318   2HG2  THR  44          2HG2      THR  44  10.709   0.033   2.492
  319   3HG2  THR  44          3HG2      THR  44   8.993  -0.228   2.099
  320    H    GLU  45           HN       GLU  45  13.377   1.188  -1.120
  321    HA   GLU  45           HA       GLU  45  15.268   0.009   0.422
  322   1HB   GLU  45          2HB       GLU  45  16.833   1.588  -0.534
  323   2HB   GLU  45          3HB       GLU  45  15.619   1.242  -1.750
  324   1HG   GLU  45          2HG       GLU  45  14.475   3.339  -1.347
  325   2HG   GLU  45          3HG       GLU  45  15.380   3.632   0.126
  326    H    ASP  46           HN       ASP  46  13.124   2.637   1.242
  327    HA   ASP  46           HA       ASP  46  14.366   2.751   3.826
  328   1HB   ASP  46          2HB       ASP  46  14.274   5.041   1.874
  329   2HB   ASP  46          3HB       ASP  46  13.936   5.414   3.553
  330    H    CYS  47           HN       CYS  47  12.356   1.794   4.570
  331    HA   CYS  47           HA       CYS  47  10.324   3.590   5.180
  332   1HB   CYS  47          2HB       CYS  47   9.291   3.647   3.150
  333   2HB   CYS  47          3HB       CYS  47   9.943   2.104   2.635
  334    H    VAL  48           HN       VAL  48   8.405   2.281   6.211
  335    HA   VAL  48           HA       VAL  48   7.604   0.450   7.271
  336    HB   VAL  48           HB       VAL  48   9.391  -0.783   5.674
  337   1HG1  VAL  48          1HG1      VAL  48  11.056  -0.328   7.700
  338   2HG1  VAL  48          2HG1      VAL  48  10.313  -1.821   8.323
  339   3HG1  VAL  48          3HG1      VAL  48  11.131  -1.825   6.742
  340   1HG2  VAL  48          1HG2      VAL  48   8.143  -2.624   6.093
  341   2HG2  VAL  48          2HG2      VAL  48   8.390  -2.524   7.852
  342   3HG2  VAL  48          3HG2      VAL  48   7.168  -1.496   7.066
  343    H    GLY  49           HN       GLY  49  10.760   1.943   7.813
  344   1HA   GLY  49          1HA       GLY  49  11.193   1.167  10.472
  345   2HA   GLY  49          2HA       GLY  49  11.816   2.602   9.684
  346    H    CYS  50           HN       CYS  50   8.638   3.027   9.109
  347    HA   CYS  50           HA       CYS  50   8.146   4.218  11.741
  348   1HB   CYS  50          2HB       CYS  50   7.833   6.256  10.873
  349   2HB   CYS  50          3HB       CYS  50   8.622   5.658   9.426
  350    H    LYS  51           HN       LYS  51   6.339   3.316  12.667
  351    HA   LYS  51           HA       LYS  51   4.571   1.780  10.958
  352   1HB   LYS  51          2HB       LYS  51   3.702   0.869  13.036
  353   2HB   LYS  51          3HB       LYS  51   5.451   0.761  13.007
  354   1HG   LYS  51          2HG       LYS  51   4.939   3.290  14.158
  355   2HG   LYS  51          3HG       LYS  51   3.711   2.249  14.850
  356   1HD   LYS  51          2HD       LYS  51   5.365   0.703  15.711
  357   2HD   LYS  51          3HD       LYS  51   6.646   1.432  14.762
  358   1HE   LYS  51          2HE       LYS  51   5.331   3.435  16.460
  359   2HE   LYS  51          3HE       LYS  51   5.917   2.090  17.419
  360   1HZ   LYS  51          1HZ       LYS  51   7.964   2.509  15.784
  361   2HZ   LYS  51          2HZ       LYS  51   7.402   4.035  15.935
  362   3HZ   LYS  51          3HZ       LYS  51   7.830   3.188  17.263
  363    H    ARG  52           HN       ARG  52   4.000   3.992   9.914
  364    HA   ARG  52           HA       ARG  52   2.015   5.315  11.564
  365   1HB   ARG  52          2HB       ARG  52   3.502   6.177   9.040
  366   2HB   ARG  52          3HB       ARG  52   2.140   7.082   9.670
  367   1HG   ARG  52          2HG       ARG  52   4.251   6.398  11.673
  368   2HG   ARG  52          3HG       ARG  52   4.748   7.514  10.417
  369   1HD   ARG  52          2HD       ARG  52   3.768   9.151  11.663
  370   2HD   ARG  52          3HD       ARG  52   2.229   8.498  11.136
  371    HE   ARG  52           HE       ARG  52   3.216   6.987  13.389
  372   1HH1  ARG  52          1HH1      ARG  52   1.316   8.685  15.774
  373   2HH1  ARG  52          2HH1      ARG  52   2.259   7.269  15.444
  374   1HH2  ARG  52          1HH2      ARG  52   1.024  10.293  14.127
  375   2HH2  ARG  52          2HH2      ARG  52   1.748  10.079  12.568
  376    H    CYS  53           HN       CYS  53   2.615   3.996   8.236
  377    HA   CYS  53           HA       CYS  53   0.252   4.390   7.051
  378   1HB   CYS  53          2HB       CYS  53   0.660   1.991   6.050
  379   2HB   CYS  53          3HB       CYS  53   1.752   3.312   5.686
  380    H    GLU  54           HN       GLU  54   0.989   1.248   8.741
  381    HA   GLU  54           HA       GLU  54  -0.426  -0.259   9.519
  382   1HB   GLU  54          2HB       GLU  54  -0.322   2.088  11.207
  383   2HB   GLU  54          3HB       GLU  54  -1.902   1.348  11.379
  384   1HG   GLU  54          2HG       GLU  54  -0.790  -0.875  11.794
  385   2HG   GLU  54          3HG       GLU  54   0.775  -0.095  11.682
  386    H    THR  55           HN       THR  55  -1.477   0.544   7.096
  387    HA   THR  55           HA       THR  55  -4.349   0.450   7.671
  388    HB   THR  55           HB       THR  55  -4.598   2.086   5.691
  389    HG1  THR  55           1HG      THR  55  -1.773   2.348   6.449
  390   1HG2  THR  55          1HG2      THR  55  -3.235   3.968   7.249
  391   2HG2  THR  55          2HG2      THR  55  -4.935   3.492   7.480
  392   3HG2  THR  55          3HG2      THR  55  -3.652   2.706   8.433
  393    H    ALA  56           HN       ALA  56  -2.547   0.742   4.572
  394    HA   ALA  56           HA       ALA  56  -2.302  -0.672   2.886
  395   1HB   ALA  56          1HB       ALA  56  -2.017  -3.004   3.301
  396   2HB   ALA  56          2HB       ALA  56  -1.443  -2.179   4.770
  397   3HB   ALA  56          3HB       ALA  56  -3.047  -2.949   4.751
  398    H    CYS  57           HN       CYS  57  -4.982  -2.133   4.871
  399    HA   CYS  57           HA       CYS  57  -7.054  -1.127   3.408
  400   1HB   CYS  57          2HB       CYS  57  -5.658  -2.964   1.789
  401   2HB   CYS  57          3HB       CYS  57  -7.082  -3.826   2.338
  402    HA   PRO  58           HA       PRO  58  -8.966  -3.409   6.588
  403   1HB   PRO  58          2HB       PRO  58 -11.575  -3.498   5.779
  404   2HB   PRO  58          3HB       PRO  58 -10.852  -2.090   6.532
  405   1HG   PRO  58          2HG       PRO  58 -11.534  -2.527   3.690
  406   2HG   PRO  58          3HG       PRO  58 -11.219  -1.018   4.523
  407   1HD   PRO  58          2HD       PRO  58  -9.432  -2.413   2.766
  408   2HD   PRO  58          3HD       PRO  58  -9.077  -0.968   3.691
  409    H    THR  59           HN       THR  59  -7.458  -5.126   5.292
  410    HA   THR  59           HA       THR  59  -7.238  -7.283   4.803
  411    HB   THR  59           HB       THR  59  -9.979  -7.822   6.001
  412    HG1  THR  59           1HG      THR  59  -7.454  -7.060   7.294
  413   1HG2  THR  59          1HG2      THR  59  -7.541  -9.326   5.495
  414   2HG2  THR  59          2HG2      THR  59  -7.809  -9.220   7.251
  415   3HG2  THR  59          3HG2      THR  59  -9.070  -9.907   6.199
  416    H    ASP  60           HN       ASP  60  -9.261  -9.261   4.108
  417    HA   ASP  60           HA       ASP  60 -10.655  -9.825   2.493
  418   1HB   ASP  60          2HB       ASP  60 -11.156  -7.141   2.456
  419   2HB   ASP  60          3HB       ASP  60 -10.381  -7.298   0.893
  420    H    PHE  61           HN       PHE  61  -7.953  -7.587   1.564
  421    HA   PHE  61           HA       PHE  61  -7.335  -9.312  -0.703
  422   1HB   PHE  61          2HB       PHE  61  -7.125  -6.477   0.069
  423   2HB   PHE  61          3HB       PHE  61  -5.548  -7.069  -0.409
  424    HD1  PHE  61           1HD      PHE  61  -5.348  -8.206  -2.696
  425    HD2  PHE  61           2HD      PHE  61  -8.713  -5.889  -1.550
  426    HE1  PHE  61           1HE      PHE  61  -5.971  -7.917  -5.110
  427    HE2  PHE  61           2HE      PHE  61  -9.335  -5.598  -3.964
  428    HZ   PHE  61           HZ       PHE  61  -7.956  -6.617  -5.716
  429    H    LEU  62           HN       LEU  62  -5.599  -7.614   2.011
  430    HA   LEU  62           HA       LEU  62  -3.260  -9.138   1.687
  431   1HB   LEU  62          2HB       LEU  62  -4.253  -7.578   4.076
  432   2HB   LEU  62          3HB       LEU  62  -2.617  -8.162   3.839
  433    HG   LEU  62           HG       LEU  62  -3.651  -6.473   1.645
  434   1HD1  LEU  62          1HD1      LEU  62  -3.985  -4.514   2.716
  435   2HD1  LEU  62          2HD1      LEU  62  -4.438  -5.583   4.065
  436   3HD1  LEU  62          3HD1      LEU  62  -2.804  -4.880   3.996
  437   1HD2  LEU  62          1HD2      LEU  62  -1.436  -6.833   1.330
  438   2HD2  LEU  62          2HD2      LEU  62  -1.307  -5.384   2.357
  439   3HD2  LEU  62          3HD2      LEU  62  -1.097  -7.002   3.069
  440    H    SER  63           HN       SER  63  -2.614 -11.089   2.516
  441    HA   SER  63           HA       SER  63  -4.701 -12.589   3.812
  442   1HB   SER  63          2HB       SER  63  -1.976 -13.389   2.700
  443   2HB   SER  63          3HB       SER  63  -3.076 -14.518   3.465
  444    HG   SER  63           HG       SER  63  -3.156 -14.302   1.027
  445    H    ILE  64           HN       ILE  64  -3.566 -10.460   5.382
  446    HA   ILE  64           HA       ILE  64  -2.280 -10.023   7.186
  447    HB   ILE  64           HB       ILE  64  -4.393 -10.720   8.057
  448   1HG1  ILE  64          2HG1      ILE  64  -3.111 -12.141  10.135
  449   2HG1  ILE  64          3HG1      ILE  64  -1.900 -11.054   9.483
  450   1HG2  ILE  64          1HG2      ILE  64  -4.997 -12.775   7.303
  451   2HG2  ILE  64          2HG2      ILE  64  -3.363 -13.456   7.490
  452   3HG2  ILE  64          3HG2      ILE  64  -4.408 -13.243   8.916
  453   1HD1  ILE  64          1HD1      ILE  64  -4.586 -10.381  10.705
  454   2HD1  ILE  64          2HD1      ILE  64  -2.984  -9.697  11.069
  455   3HD1  ILE  64          3HD1      ILE  64  -3.823  -9.249   9.564
  456    H    ARG  65           HN       ARG  65  -0.162 -10.398   6.261
  457    HA   ARG  65           HA       ARG  65   0.911 -13.023   6.780
  458   1HB   ARG  65          2HB       ARG  65   1.310 -11.157   4.729
  459   2HB   ARG  65          3HB       ARG  65   2.754 -10.961   5.702
  460   1HG   ARG  65          2HG       ARG  65   2.413 -13.757   5.564
  461   2HG   ARG  65          3HG       ARG  65   1.967 -13.204   3.962
  462   1HD   ARG  65          2HD       ARG  65   4.107 -12.456   3.464
  463   2HD   ARG  65          3HD       ARG  65   4.435 -11.955   5.111
  464    HE   ARG  65           HE       ARG  65   4.212 -14.867   4.775
  465   1HH1  ARG  65          1HH1      ARG  65   7.633 -15.341   5.272
  466   2HH1  ARG  65          2HH1      ARG  65   6.087 -16.115   5.160
  467   1HH2  ARG  65          1HH2      ARG  65   7.799 -13.039   5.031
  468   2HH2  ARG  65          2HH2      ARG  65   6.377 -12.093   4.740
  469    H    VAL  66           HN       VAL  66   0.200 -10.927   8.908
  470    HA   VAL  66           HA       VAL  66   1.119  -9.836  10.635
  471    HB   VAL  66           HB       VAL  66   2.676 -11.355  11.935
  472   1HG1  VAL  66          1HG1      VAL  66   0.910 -12.727  12.652
  473   2HG1  VAL  66          2HG1      VAL  66   0.098 -11.294  11.977
  474   3HG1  VAL  66          3HG1      VAL  66   0.182 -12.798  11.029
  475   1HG2  VAL  66          1HG2      VAL  66   2.918 -13.666  11.138
  476   2HG2  VAL  66          2HG2      VAL  66   2.127 -13.225   9.605
  477   3HG2  VAL  66          3HG2      VAL  66   3.703 -12.514  10.031
  478    H    TYR  67           HN       TYR  67   2.078  -8.017   9.599
  479    HA   TYR  67           HA       TYR  67   4.978  -8.302   9.180
  480   1HB   TYR  67          2HB       TYR  67   2.710  -6.637   7.960
  481   2HB   TYR  67          3HB       TYR  67   4.367  -6.087   7.801
  482    HD1  TYR  67           HD1      TYR  67   1.941  -7.507   5.956
  483    HD2  TYR  67           HD2      TYR  67   5.941  -8.398   7.183
  484    HE1  TYR  67           HE1      TYR  67   2.245  -8.990   3.913
  485    HE2  TYR  67           HE2      TYR  67   6.231  -9.878   5.137
  486    HH   TYR  67           HH       TYR  67   3.977  -9.855   2.562
  487    H    LEU  68           HN       LEU  68   2.663  -5.550   9.693
  488    HA   LEU  68           HA       LEU  68   4.415  -3.937  11.026
  489   1HB   LEU  68          2HB       LEU  68   1.540  -4.124  10.620
  490   2HB   LEU  68          3HB       LEU  68   1.939  -3.408  12.170
  491    HG   LEU  68           HG       LEU  68   1.630  -1.702  10.462
  492   1HD1  LEU  68          1HD1      LEU  68   3.944  -0.602  10.646
  493   2HD1  LEU  68          2HD1      LEU  68   3.077  -0.990  12.152
  494   3HD1  LEU  68          3HD1      LEU  68   4.403  -2.038  11.594
  495   1HD2  LEU  68          1HD2      LEU  68   3.001  -1.489   8.515
  496   2HD2  LEU  68          2HD2      LEU  68   4.019  -2.863   9.010
  497   3HD2  LEU  68          3HD2      LEU  68   2.325  -3.135   8.533
  498    H    GLY  69           HN       GLY  69   5.292  -3.815  13.050
  499   1HA   GLY  69          1HA       GLY  69   6.029  -4.720  14.999
  500   2HA   GLY  69          2HA       GLY  69   4.345  -4.521  15.443
  501    H    ALA  70           HN       ALA  70   6.216  -6.821  13.324
  502    HA   ALA  70           HA       ALA  70   5.337  -9.011  15.008
  503   1HB   ALA  70          1HB       ALA  70   4.870  -9.507  12.127
  504   2HB   ALA  70          2HB       ALA  70   3.895  -9.973  13.542
  505   3HB   ALA  70          3HB       ALA  70   3.757  -8.331  12.866
  506    H    GLU  71           HN       GLU  71   7.062  -7.855  12.051
  507    HA   GLU  71           HA       GLU  71   8.656 -10.057  11.714
  508   1HB   GLU  71          2HB       GLU  71   9.500  -7.176  11.197
  509   2HB   GLU  71          3HB       GLU  71  10.084  -8.608  10.374
  510   1HG   GLU  71          2HG       GLU  71   7.174  -8.518  10.225
  511   2HG   GLU  71          3HG       GLU  71   7.836  -6.994   9.670
  512    H    THR  72           HN       THR  72  11.362  -8.923  11.789
  513    HA   THR  72           HA       THR  72  13.112  -9.055  13.168
  514    HB   THR  72           HB       THR  72  12.175  -6.695  13.504
  515    HG1  THR  72           1HG      THR  72  14.184  -7.770  14.502
  516   1HG2  THR  72          1HG2      THR  72  10.215  -6.869  14.831
  517   2HG2  THR  72          2HG2      THR  72  10.910  -8.152  15.851
  518   3HG2  THR  72          3HG2      THR  72  11.449  -6.467  16.049
  519    H    THR  73           HN       THR  73  10.781 -11.031  13.530
  520    HA   THR  73           HA       THR  73  11.583 -11.901  16.230
  521    HB   THR  73           HB       THR  73   9.135 -11.112  15.814
  522    HG1  THR  73           1HG      THR  73   9.971 -12.598  17.530
  523   1HG2  THR  73          1HG2      THR  73   8.612 -13.892  14.826
  524   2HG2  THR  73          2HG2      THR  73   7.715 -12.389  14.499
  525   3HG2  THR  73          3HG2      THR  73   9.211 -12.745  13.603
  526    H    ARG  74           HN       ARG  74  11.121 -12.711  12.805
  527    HA   ARG  74           HA       ARG  74  11.432 -15.457  13.151
  528   1HB   ARG  74          2HB       ARG  74  12.181 -13.810  10.686
  529   2HB   ARG  74          3HB       ARG  74  11.762 -15.511  10.713
  530   1HG   ARG  74          2HG       ARG  74   9.918 -13.161  11.336
  531   2HG   ARG  74          3HG       ARG  74   9.811 -14.246   9.964
  532   1HD   ARG  74          2HD       ARG  74   9.482 -15.105  12.882
  533   2HD   ARG  74          3HD       ARG  74   8.155 -14.798  11.780
  534    HE   ARG  74           HE       ARG  74   9.926 -17.140  11.778
  535   1HH1  ARG  74          1HH1      ARG  74   8.285 -18.585   9.059
  536   2HH1  ARG  74          2HH1      ARG  74   9.421 -18.842  10.340
  537   1HH2  ARG  74          1HH2      ARG  74   7.275 -16.510   8.803
  538   2HH2  ARG  74          2HH2      ARG  74   7.658 -15.221   9.893
  539    H    SER  75           HN       SER  75  13.685 -12.710  12.802
  540    HA   SER  75           HA       SER  75  15.857 -14.611  13.186
  541   1HB   SER  75          2HB       SER  75  15.445 -12.904  10.921
  542   2HB   SER  75          3HB       SER  75  16.798 -12.239  11.813
  543    HG   SER  75           HG       SER  75  16.747 -14.431  10.205
  544    H    MET  76           HN       MET  76  14.035 -12.477  14.731
  545    HA   MET  76           HA       MET  76  14.280 -11.207  16.480
  546   1HB   MET  76          2HB       MET  76  15.849 -12.818  17.415
  547   2HB   MET  76          3HB       MET  76  17.128 -12.311  16.332
  548   1HG   MET  76          2HG       MET  76  17.485 -10.260  17.508
  549   2HG   MET  76          3HG       MET  76  15.923 -10.331  18.298
  550   1HE   MET  76          1HE       MET  76  16.054 -12.041  21.215
  551   2HE   MET  76          2HE       MET  76  15.148 -11.942  19.686
  552   3HE   MET  76          3HE       MET  76  15.984 -13.450  20.129
  553    H    GLY  77           HN       GLY  77  17.365 -10.848  14.575
  554   1HA   GLY  77          1HA       GLY  77  16.753  -8.291  13.600
  555   2HA   GLY  77          2HA       GLY  77  17.678  -8.103  15.076
  556    H    LEU  78           HN       LEU  78  17.881 -10.738  12.601
  557    HA   LEU  78           HA       LEU  78  20.699  -9.996  12.263
  558   1HB   LEU  78          2HB       LEU  78  20.838 -12.117  13.015
  559   2HB   LEU  78          3HB       LEU  78  19.239 -12.558  12.449
  560    HG   LEU  78           HG       LEU  78  21.124 -13.778  11.352
  561   1HD1  LEU  78          1HD1      LEU  78  18.793 -12.639  10.188
  562   2HD1  LEU  78          2HD1      LEU  78  20.084 -12.611   8.963
  563   3HD1  LEU  78          3HD1      LEU  78  19.638 -14.144   9.750
  564   1HD2  LEU  78          1HD2      LEU  78  21.993 -11.035  10.793
  565   2HD2  LEU  78          2HD2      LEU  78  22.918 -12.555  10.825
  566   3HD2  LEU  78          3HD2      LEU  78  22.008 -12.098   9.365
  567    H    ALA  79           HN       ALA  79  17.602 -10.733  10.622
  568    HA   ALA  79           HA       ALA  79  18.514  -9.246   8.338
  569   1HB   ALA  79          1HB       ALA  79  19.431 -11.299   7.606
  570   2HB   ALA  79          2HB       ALA  79  18.070 -12.242   8.259
  571   3HB   ALA  79          3HB       ALA  79  17.839 -11.229   6.813
  572    H    TYR  80           HN       TYR  80  16.026 -11.597   9.562
  573    HA   TYR  80           HA       TYR  80  13.936 -10.177   8.205
  574   1HB   TYR  80          2HB       TYR  80  13.647 -12.173  10.500
  575   2HB   TYR  80          3HB       TYR  80  12.641 -12.032   9.071
  576    HD1  TYR  80           HD1      TYR  80  15.094 -11.908   7.110
  577    HD2  TYR  80           HD2      TYR  80  13.975 -14.560  10.276
  578    HE1  TYR  80           HE1      TYR  80  16.402 -13.788   6.007
  579    HE2  TYR  80           HE2      TYR  80  15.287 -16.431   9.161
  580    HH   TYR  80           HH       TYR  80  16.305 -17.064   7.322